smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S1(=O)C[C@H](O)[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000006811563 182914031 /nfs/dbraw/zinc/91/40/31/182914031.db2.gz WEONLLPTKPMWLC-BDAKNGLRSA-N 2 2 234.321 -1.514 10 0 BAAELP NC(=O)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000013541500 181234617 /nfs/dbraw/zinc/23/46/17/181234617.db2.gz BXNPPNGZGCSIBK-LURJTMIESA-N 2 2 211.225 -2.119 10 0 BAAELP [NH3+]C[C@@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000019399378 132324585 /nfs/dbraw/zinc/32/45/85/132324585.db2.gz IGJOSHDKIGYHPI-SNVBAGLBSA-N 2 2 237.307 -1.082 10 0 BAAELP [NH3+]C[C@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000019399380 132324528 /nfs/dbraw/zinc/32/45/28/132324528.db2.gz IGJOSHDKIGYHPI-JTQLQIEISA-N 2 2 237.307 -1.082 10 0 BAAELP CC(=O)N1CC[NH+](C[C@@H](O)C[NH3+])CC1 ZINC000019679520 188350245 /nfs/dbraw/zinc/35/02/45/188350245.db2.gz ZGGDSFLTVQBMST-VIFPVBQESA-N 2 2 201.270 -1.530 10 0 BAAELP CC(=O)N1CC[NH+](C[C@H](O)C[NH3+])CC1 ZINC000019679522 188172827 /nfs/dbraw/zinc/17/28/27/188172827.db2.gz ZGGDSFLTVQBMST-SECBINFHSA-N 2 2 201.270 -1.530 10 0 BAAELP CNC(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000019688094 173274690 /nfs/dbraw/zinc/27/46/90/173274690.db2.gz DWVPDQIGRKBRCI-UHFFFAOYSA-N 2 2 200.286 -1.691 10 0 BAAELP C[NH+]1CCN(C(=O)C[NH2+]CC(N)=O)CC1 ZINC000020056925 173067255 /nfs/dbraw/zinc/06/72/55/173067255.db2.gz RTQGRVKFSZPYMS-UHFFFAOYSA-N 2 2 214.269 -2.165 10 0 BAAELP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000020433782 173068889 /nfs/dbraw/zinc/06/88/89/173068889.db2.gz VHKJGGZWTYPLPN-BDAKNGLRSA-N 2 2 213.281 -1.517 10 0 BAAELP C[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000020433783 173072130 /nfs/dbraw/zinc/07/21/30/173072130.db2.gz VHKJGGZWTYPLPN-RKDXNWHRSA-N 2 2 213.281 -1.517 10 0 BAAELP C[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000020433784 173068726 /nfs/dbraw/zinc/06/87/26/173068726.db2.gz VHKJGGZWTYPLPN-IUCAKERBSA-N 2 2 213.281 -1.517 10 0 BAAELP NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000022145027 181254977 /nfs/dbraw/zinc/25/49/77/181254977.db2.gz XZEJYTXWXRPCLZ-UHFFFAOYSA-N 2 2 200.242 -1.396 10 0 BAAELP O[C@@H](CN1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000026476086 183175809 /nfs/dbraw/zinc/17/58/09/183175809.db2.gz QPGAWSPHZJYTHT-NSHDSACASA-N 2 2 229.324 -1.415 10 0 BAAELP O[C@H](CN1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000026476094 183221307 /nfs/dbraw/zinc/22/13/07/183221307.db2.gz QPGAWSPHZJYTHT-LLVKDONJSA-N 2 2 229.324 -1.415 10 0 BAAELP O[C@@H]1C[NH2+][C@@H](CNCn2cc[nH+]c2)[C@@H]1O ZINC000026501033 183249180 /nfs/dbraw/zinc/24/91/80/183249180.db2.gz AXLGCGSOTAFBLX-YIZRAAEISA-N 2 2 212.253 -1.876 10 0 BAAELP O[C@@H]1C[NH2+][C@H](CNCn2cc[nH+]c2)[C@@H]1O ZINC000026501039 183213383 /nfs/dbraw/zinc/21/33/83/183213383.db2.gz AXLGCGSOTAFBLX-HLTSFMKQSA-N 2 2 212.253 -1.876 10 0 BAAELP [NH3+][C@H]1CCC(=O)N(CC[NH+]2CCOCC2)C1=O ZINC000031992918 181638621 /nfs/dbraw/zinc/63/86/21/181638621.db2.gz BLDLSHDHIVOGTA-VIFPVBQESA-N 2 2 241.291 -1.205 10 0 BAAELP C[NH+]1CC2C[NH+](C)CC(C1)C2(N)C(N)=O ZINC000034478268 187257468 /nfs/dbraw/zinc/25/74/68/187257468.db2.gz SCYHJHARCBAXSA-UHFFFAOYSA-N 2 2 212.297 -1.708 10 0 BAAELP C[NH+]1CCN(C(=O)C[NH2+]CCO)CC1 ZINC000035116498 173067664 /nfs/dbraw/zinc/06/76/64/173067664.db2.gz UJILSAWJEQODRI-UHFFFAOYSA-N 2 2 201.270 -1.658 10 0 BAAELP CCNC(=O)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000035142025 170065034 /nfs/dbraw/zinc/06/50/34/170065034.db2.gz PCXHHTDIGYQIBZ-UHFFFAOYSA-N 2 2 242.323 -1.514 10 0 BAAELP [NH3+]CCNC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000036127915 181392746 /nfs/dbraw/zinc/39/27/46/181392746.db2.gz NTKNJHBFIOEGGZ-UHFFFAOYSA-N 2 2 244.295 -2.802 10 0 BAAELP CNC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754669 173287096 /nfs/dbraw/zinc/28/70/96/173287096.db2.gz OHTKNRRTSVTYDO-UHFFFAOYSA-N 2 2 214.269 -1.135 10 0 BAAELP CC(=O)NCCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754726 187423282 /nfs/dbraw/zinc/42/32/82/187423282.db2.gz YFWYSGCUIAGGRM-UHFFFAOYSA-N 2 2 242.323 -1.338 10 0 BAAELP [NH3+]C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000036754805 181343647 /nfs/dbraw/zinc/34/36/47/181343647.db2.gz YYFDHGKINHOZTN-UHFFFAOYSA-N 2 2 226.280 -1.039 10 0 BAAELP NC(=O)NC(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000037037845 181380901 /nfs/dbraw/zinc/38/09/01/181380901.db2.gz UUZOFYODXFWUPH-UHFFFAOYSA-N 2 2 243.311 -1.852 10 0 BAAELP NC(=O)NC(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000037039580 181391317 /nfs/dbraw/zinc/39/13/17/181391317.db2.gz XWUVKBCOKYAWAW-UHFFFAOYSA-N 2 2 229.284 -2.242 10 0 BAAELP CNC(=O)[C@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039617 173301696 /nfs/dbraw/zinc/30/16/96/173301696.db2.gz SAQVLYQPDLAROZ-VIFPVBQESA-N 2 2 214.313 -1.303 10 0 BAAELP CNC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039618 173294342 /nfs/dbraw/zinc/29/43/42/173294342.db2.gz SAQVLYQPDLAROZ-SECBINFHSA-N 2 2 214.313 -1.303 10 0 BAAELP CNC(=O)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000037207915 173276723 /nfs/dbraw/zinc/27/67/23/173276723.db2.gz WWAPXGOTQRGQIE-UHFFFAOYSA-N 2 2 228.296 -1.904 10 0 BAAELP C[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000037242736 173065403 /nfs/dbraw/zinc/06/54/03/173065403.db2.gz YUMNBJHFFIJTCY-UHFFFAOYSA-N 2 2 214.269 -2.165 10 0 BAAELP CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037270967 173270139 /nfs/dbraw/zinc/27/01/39/173270139.db2.gz KKWKHUKJULKNJS-VIFPVBQESA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037270967 173270137 /nfs/dbraw/zinc/27/01/37/173270137.db2.gz KKWKHUKJULKNJS-VIFPVBQESA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037270968 173270839 /nfs/dbraw/zinc/27/08/39/173270839.db2.gz KKWKHUKJULKNJS-SECBINFHSA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)C[N@H+](C)[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037270968 173270837 /nfs/dbraw/zinc/27/08/37/173270837.db2.gz KKWKHUKJULKNJS-SECBINFHSA-N 2 2 242.323 -1.516 10 0 BAAELP C[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037481599 173071761 /nfs/dbraw/zinc/07/17/61/173071761.db2.gz ACZCULQLCUCMAO-SSDOTTSWSA-N 2 2 214.269 -2.037 10 0 BAAELP C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037481600 173069622 /nfs/dbraw/zinc/06/96/22/173069622.db2.gz ACZCULQLCUCMAO-ZETCQYMHSA-N 2 2 214.269 -2.037 10 0 BAAELP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037481827 712648363 /nfs/dbraw/zinc/64/83/63/712648363.db2.gz UDGXSMIXSQYZQJ-MRVPVSSYSA-N 2 2 228.296 -1.647 10 0 BAAELP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037481828 712648264 /nfs/dbraw/zinc/64/82/64/712648264.db2.gz UDGXSMIXSQYZQJ-QMMMGPOBSA-N 2 2 228.296 -1.647 10 0 BAAELP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(=O)NC2=O)C1 ZINC000037484958 173147578 /nfs/dbraw/zinc/14/75/78/173147578.db2.gz OVQCZHSKQNJXLF-HTQZYQBOSA-N 2 2 211.265 -1.057 10 0 BAAELP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(=O)NC2=O)C1 ZINC000037484958 173147577 /nfs/dbraw/zinc/14/75/77/173147577.db2.gz OVQCZHSKQNJXLF-HTQZYQBOSA-N 2 2 211.265 -1.057 10 0 BAAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(=O)NC2=O)C1 ZINC000037484959 173118491 /nfs/dbraw/zinc/11/84/91/173118491.db2.gz OVQCZHSKQNJXLF-JGVFFNPUSA-N 2 2 211.265 -1.057 10 0 BAAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC(=O)NC2=O)C1 ZINC000037484959 173118488 /nfs/dbraw/zinc/11/84/88/173118488.db2.gz OVQCZHSKQNJXLF-JGVFFNPUSA-N 2 2 211.265 -1.057 10 0 BAAELP NC(=O)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000037623184 181241273 /nfs/dbraw/zinc/24/12/73/181241273.db2.gz CGBHNOHPQGHGCY-MRVPVSSYSA-N 2 2 244.295 -2.363 10 0 BAAELP NC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000037623185 181244355 /nfs/dbraw/zinc/24/43/55/181244355.db2.gz CGBHNOHPQGHGCY-QMMMGPOBSA-N 2 2 244.295 -2.363 10 0 BAAELP NC(=O)C[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000037626084 181244320 /nfs/dbraw/zinc/24/43/20/181244320.db2.gz ZNDVGMJSZNQRCG-QMMMGPOBSA-N 2 2 239.279 -1.408 10 0 BAAELP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037626430 187293108 /nfs/dbraw/zinc/29/31/08/187293108.db2.gz HOEXINMEBIZDRY-SECBINFHSA-N 2 2 242.323 -1.258 10 0 BAAELP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037626431 188152304 /nfs/dbraw/zinc/15/23/04/188152304.db2.gz HOEXINMEBIZDRY-VIFPVBQESA-N 2 2 242.323 -1.258 10 0 BAAELP C[NH+]1CCN(S(=O)(=O)CCC[NH3+])CC1 ZINC000037719349 173093218 /nfs/dbraw/zinc/09/32/18/173093218.db2.gz ZTHBFMCQMZPAFW-UHFFFAOYSA-N 2 2 221.326 -1.088 10 0 BAAELP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000037819269 172366138 /nfs/dbraw/zinc/36/61/38/172366138.db2.gz CPSRXHLLMBCTOJ-UHFFFAOYSA-N 2 2 242.323 -1.432 10 0 BAAELP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000037819269 172366136 /nfs/dbraw/zinc/36/61/36/172366136.db2.gz CPSRXHLLMBCTOJ-UHFFFAOYSA-N 2 2 242.323 -1.432 10 0 BAAELP NC(=O)C[N@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000037823664 181347725 /nfs/dbraw/zinc/34/77/25/181347725.db2.gz MAHOYJCSMZGRJQ-UHFFFAOYSA-N 2 2 214.269 -2.035 10 0 BAAELP NC(=O)C[N@@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000037823664 181347724 /nfs/dbraw/zinc/34/77/24/181347724.db2.gz MAHOYJCSMZGRJQ-UHFFFAOYSA-N 2 2 214.269 -2.035 10 0 BAAELP NC(=O)C[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000037823672 181367082 /nfs/dbraw/zinc/36/70/82/181367082.db2.gz PKRYSOAJNMEBOQ-UHFFFAOYSA-N 2 2 228.296 -1.645 10 0 BAAELP NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000037823672 181367081 /nfs/dbraw/zinc/36/70/81/181367081.db2.gz PKRYSOAJNMEBOQ-UHFFFAOYSA-N 2 2 228.296 -1.645 10 0 BAAELP NC(=O)C[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000037823686 181371715 /nfs/dbraw/zinc/37/17/15/181371715.db2.gz RSPJDNZNAUVFLM-UHFFFAOYSA-N 2 2 242.323 -1.255 10 0 BAAELP NC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000037823686 181371714 /nfs/dbraw/zinc/37/17/14/181371714.db2.gz RSPJDNZNAUVFLM-UHFFFAOYSA-N 2 2 242.323 -1.255 10 0 BAAELP C[NH2+]CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000037823689 173325922 /nfs/dbraw/zinc/32/59/22/173325922.db2.gz UCTSMAMUUNRADZ-UHFFFAOYSA-N 2 2 228.296 -1.775 10 0 BAAELP C[NH2+]CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000037823689 173325919 /nfs/dbraw/zinc/32/59/19/173325919.db2.gz UCTSMAMUUNRADZ-UHFFFAOYSA-N 2 2 228.296 -1.775 10 0 BAAELP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827039 181241838 /nfs/dbraw/zinc/24/18/38/181241838.db2.gz OFCOQFWKKSMFJV-SECBINFHSA-N 2 2 240.307 -1.504 10 0 BAAELP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827040 181244247 /nfs/dbraw/zinc/24/42/47/181244247.db2.gz OFCOQFWKKSMFJV-VIFPVBQESA-N 2 2 240.307 -1.504 10 0 BAAELP CC(=O)NCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031327 188117353 /nfs/dbraw/zinc/11/73/53/188117353.db2.gz DGZLKNUPAYJOIF-UHFFFAOYSA-N 2 2 242.323 -1.514 10 0 BAAELP CC(=O)NCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031327 188117351 /nfs/dbraw/zinc/11/73/51/188117351.db2.gz DGZLKNUPAYJOIF-UHFFFAOYSA-N 2 2 242.323 -1.514 10 0 BAAELP CNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031569 173301924 /nfs/dbraw/zinc/30/19/24/173301924.db2.gz NPUKNCMKXODYKK-VIFPVBQESA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031569 173301923 /nfs/dbraw/zinc/30/19/23/173301923.db2.gz NPUKNCMKXODYKK-VIFPVBQESA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031570 173294532 /nfs/dbraw/zinc/29/45/32/173294532.db2.gz NPUKNCMKXODYKK-SECBINFHSA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031570 173294531 /nfs/dbraw/zinc/29/45/31/173294531.db2.gz NPUKNCMKXODYKK-SECBINFHSA-N 2 2 242.323 -1.516 10 0 BAAELP [NH3+]CCN1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038084717 181391398 /nfs/dbraw/zinc/39/13/98/181391398.db2.gz YSKICTSZXDVYRQ-SNVBAGLBSA-N 2 2 247.364 -1.250 10 0 BAAELP [NH3+]CCN1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000038084718 181392412 /nfs/dbraw/zinc/39/24/12/181392412.db2.gz YSKICTSZXDVYRQ-JTQLQIEISA-N 2 2 247.364 -1.250 10 0 BAAELP O[C@@H]1[C@@H](CNCn2cc[nH+]c2)[NH2+]C[C@@H]1O ZINC000039097326 183244885 /nfs/dbraw/zinc/24/48/85/183244885.db2.gz AXLGCGSOTAFBLX-HRDYMLBCSA-N 2 2 212.253 -1.876 10 0 BAAELP C[C@@H]1C[N@@H+](CC(=O)NCC[NH3+])CCO1 ZINC000040605515 176283118 /nfs/dbraw/zinc/28/31/18/176283118.db2.gz RUNQJAZQYVWYQP-MRVPVSSYSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@@H]1C[N@H+](CC(=O)NCC[NH3+])CCO1 ZINC000040605515 176283117 /nfs/dbraw/zinc/28/31/17/176283117.db2.gz RUNQJAZQYVWYQP-MRVPVSSYSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@H]1C[N@@H+](CC(=O)NCC[NH3+])CCO1 ZINC000040605516 177243840 /nfs/dbraw/zinc/24/38/40/177243840.db2.gz RUNQJAZQYVWYQP-QMMMGPOBSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@H]1C[N@H+](CC(=O)NCC[NH3+])CCO1 ZINC000040605516 177243839 /nfs/dbraw/zinc/24/38/39/177243839.db2.gz RUNQJAZQYVWYQP-QMMMGPOBSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@@H]1COCC[N@H+]1CC(=O)NCC[NH3+] ZINC000040605594 176336059 /nfs/dbraw/zinc/33/60/59/176336059.db2.gz RPIDROTTXZUWLN-MRVPVSSYSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@@H]1COCC[N@@H+]1CC(=O)NCC[NH3+] ZINC000040605594 176336058 /nfs/dbraw/zinc/33/60/58/176336058.db2.gz RPIDROTTXZUWLN-MRVPVSSYSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@H]1COCC[N@H+]1CC(=O)NCC[NH3+] ZINC000040605595 177291693 /nfs/dbraw/zinc/29/16/93/177291693.db2.gz RPIDROTTXZUWLN-QMMMGPOBSA-N 2 2 201.270 -1.218 10 0 BAAELP C[C@H]1COCC[N@@H+]1CC(=O)NCC[NH3+] ZINC000040605595 177291691 /nfs/dbraw/zinc/29/16/91/177291691.db2.gz RPIDROTTXZUWLN-QMMMGPOBSA-N 2 2 201.270 -1.218 10 0 BAAELP Nc1[nH+]cnc(N2CC[NH+](CCO)CC2)c1N ZINC000040723763 132348540 /nfs/dbraw/zinc/34/85/40/132348540.db2.gz SLKKMQBUGQEPSH-UHFFFAOYSA-N 2 2 238.295 -1.245 10 0 BAAELP C[NH+]1CCN(Nc2[nH+]cnc(NN)c2N)CC1 ZINC000040756931 173093591 /nfs/dbraw/zinc/09/35/91/173093591.db2.gz WDFPYOFCQHRATE-UHFFFAOYSA-N 2 2 238.299 -1.081 10 0 BAAELP C[NH+]1CCN(Nc2nc[nH+]c(NN)c2N)CC1 ZINC000040756931 173093590 /nfs/dbraw/zinc/09/35/90/173093590.db2.gz WDFPYOFCQHRATE-UHFFFAOYSA-N 2 2 238.299 -1.081 10 0 BAAELP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041029293 181252561 /nfs/dbraw/zinc/25/25/61/181252561.db2.gz MQIINHYIMNCELK-ZETCQYMHSA-N 2 2 214.269 -1.006 10 0 BAAELP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041029293 181252560 /nfs/dbraw/zinc/25/25/60/181252560.db2.gz MQIINHYIMNCELK-ZETCQYMHSA-N 2 2 214.269 -1.006 10 0 BAAELP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000041051037 182214879 /nfs/dbraw/zinc/21/48/79/182214879.db2.gz MQDPGGZRYBFTIP-IUCAKERBSA-N 2 2 224.264 -1.278 10 0 BAAELP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000041051038 182216762 /nfs/dbraw/zinc/21/67/62/182216762.db2.gz MQDPGGZRYBFTIP-DTWKUNHWSA-N 2 2 224.264 -1.278 10 0 BAAELP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000041051039 182215645 /nfs/dbraw/zinc/21/56/45/182215645.db2.gz MQDPGGZRYBFTIP-BDAKNGLRSA-N 2 2 224.264 -1.278 10 0 BAAELP O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000041051040 182216770 /nfs/dbraw/zinc/21/67/70/182216770.db2.gz MQDPGGZRYBFTIP-RKDXNWHRSA-N 2 2 224.264 -1.278 10 0 BAAELP CNC(=O)C[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354564 173268211 /nfs/dbraw/zinc/26/82/11/173268211.db2.gz ABERYLFIVMMINB-UHFFFAOYSA-N 2 2 242.323 -1.514 10 0 BAAELP CNC(=O)C[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354564 173268208 /nfs/dbraw/zinc/26/82/08/173268208.db2.gz ABERYLFIVMMINB-UHFFFAOYSA-N 2 2 242.323 -1.514 10 0 BAAELP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCC[NH3+] ZINC000042408664 173298021 /nfs/dbraw/zinc/29/80/21/173298021.db2.gz IIWWKPCTRJASPB-VIFPVBQESA-N 2 2 242.323 -1.338 10 0 BAAELP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC[NH3+] ZINC000042408664 173298020 /nfs/dbraw/zinc/29/80/20/173298020.db2.gz IIWWKPCTRJASPB-VIFPVBQESA-N 2 2 242.323 -1.338 10 0 BAAELP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCC[NH3+] ZINC000042408665 173306209 /nfs/dbraw/zinc/30/62/09/173306209.db2.gz IIWWKPCTRJASPB-SECBINFHSA-N 2 2 242.323 -1.338 10 0 BAAELP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCC[NH3+] ZINC000042408665 173306208 /nfs/dbraw/zinc/30/62/08/173306208.db2.gz IIWWKPCTRJASPB-SECBINFHSA-N 2 2 242.323 -1.338 10 0 BAAELP CCC[N@@H+](CC(=O)NCC[NH3+])CC(=O)N(C)C ZINC000042420599 169096087 /nfs/dbraw/zinc/09/60/87/169096087.db2.gz IBZOERNGVHJFDC-UHFFFAOYSA-N 2 2 244.339 -1.139 10 0 BAAELP CCC[N@H+](CC(=O)NCC[NH3+])CC(=O)N(C)C ZINC000042420599 169096085 /nfs/dbraw/zinc/09/60/85/169096085.db2.gz IBZOERNGVHJFDC-UHFFFAOYSA-N 2 2 244.339 -1.139 10 0 BAAELP COCCNC(=O)C[N@@H+](C)CC(=O)NCC[NH3+] ZINC000042428498 174320065 /nfs/dbraw/zinc/32/00/65/174320065.db2.gz DCBFHSNOKNEKFO-UHFFFAOYSA-N 2 2 246.311 -2.244 10 0 BAAELP COCCNC(=O)C[N@H+](C)CC(=O)NCC[NH3+] ZINC000042428498 174320064 /nfs/dbraw/zinc/32/00/64/174320064.db2.gz DCBFHSNOKNEKFO-UHFFFAOYSA-N 2 2 246.311 -2.244 10 0 BAAELP NC(=O)C[N@@H+](CC(=O)NCC[NH3+])C1CCCC1 ZINC000042428555 181392818 /nfs/dbraw/zinc/39/28/18/181392818.db2.gz DGJDDTRIEGBIEF-UHFFFAOYSA-N 2 2 242.323 -1.209 10 0 BAAELP NC(=O)C[N@H+](CC(=O)NCC[NH3+])C1CCCC1 ZINC000042428555 181392817 /nfs/dbraw/zinc/39/28/17/181392817.db2.gz DGJDDTRIEGBIEF-UHFFFAOYSA-N 2 2 242.323 -1.209 10 0 BAAELP CNC(=O)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042570010 173302495 /nfs/dbraw/zinc/30/24/95/173302495.db2.gz YANJVWQRBQBIEU-VIFPVBQESA-N 2 2 242.323 -1.516 10 0 BAAELP CNC(=O)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042570013 173295299 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223.280 -1.099 10 0 BAAELP NC(=O)[C@H]([NH3+])CCN1CCn2cc[nH+]c2C1 ZINC000062534067 181277403 /nfs/dbraw/zinc/27/74/03/181277403.db2.gz SIERYJUDWFCNFP-MRVPVSSYSA-N 2 2 223.280 -1.099 10 0 BAAELP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[NH2+]CCN1 ZINC000062812544 182187413 /nfs/dbraw/zinc/18/74/13/182187413.db2.gz VMNRJSKRAXOCAD-JTQLQIEISA-N 2 2 242.323 -2.004 10 0 BAAELP O=C(NCC[NH+]1CCOCC1)[C@H]1C[NH2+]CCN1 ZINC000062812545 182187232 /nfs/dbraw/zinc/18/72/32/182187232.db2.gz VMNRJSKRAXOCAD-SNVBAGLBSA-N 2 2 242.323 -2.004 10 0 BAAELP C[NH2+]C[C@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062978840 173376890 /nfs/dbraw/zinc/37/68/90/173376890.db2.gz YCRVTOSHAJVIIX-RYUDHWBXSA-N 2 2 243.351 -1.027 10 0 BAAELP C[NH2+]C[C@@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062978841 173364763 /nfs/dbraw/zinc/36/47/63/173364763.db2.gz YCRVTOSHAJVIIX-NWDGAFQWSA-N 2 2 243.351 -1.027 10 0 BAAELP NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[NH3+] ZINC000066099310 181368079 /nfs/dbraw/zinc/36/80/79/181368079.db2.gz 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ZINC000083358167 388049200 /nfs/dbraw/zinc/04/92/00/388049200.db2.gz NSCJOWKJYFDJNG-VIFPVBQESA-N 2 2 231.296 -1.592 10 0 BAAELP O=C(NCCn1cc[nH+]c1)[C@@H]1COCC[NH2+]1 ZINC000083873174 487590684 /nfs/dbraw/zinc/59/06/84/487590684.db2.gz CLQNGZMYJCZTOW-VIFPVBQESA-N 2 2 224.264 -1.012 10 0 BAAELP O=C(NCCn1cc[nH+]c1)[C@H]1COCC[NH2+]1 ZINC000083873176 487954782 /nfs/dbraw/zinc/95/47/82/487954782.db2.gz CLQNGZMYJCZTOW-SECBINFHSA-N 2 2 224.264 -1.012 10 0 BAAELP C[C@@H](CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000083883716 643543298 /nfs/dbraw/zinc/54/32/98/643543298.db2.gz IRVVMDZRIZIHPS-QMMMGPOBSA-N 2 2 201.270 -1.218 10 0 BAAELP C[N@H+]1CCO[C@H](CNC(=O)CC[NH3+])C1 ZINC000083888796 343505763 /nfs/dbraw/zinc/50/57/63/343505763.db2.gz MWADZVMJDCWTPR-MRVPVSSYSA-N 2 2 201.270 -1.218 10 0 BAAELP C[N@@H+]1CCO[C@H](CNC(=O)CC[NH3+])C1 ZINC000083888796 343505760 /nfs/dbraw/zinc/50/57/60/343505760.db2.gz MWADZVMJDCWTPR-MRVPVSSYSA-N 2 2 201.270 -1.218 10 0 BAAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[NH3+])C1 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2 201.270 -1.220 10 0 BAAELP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000085790645 357623581 /nfs/dbraw/zinc/62/35/81/357623581.db2.gz SMCNUDSJHLCHQJ-YUMQZZPRSA-N 2 2 201.270 -1.220 10 0 BAAELP Cn1nnnc1N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000087613852 487671630 /nfs/dbraw/zinc/67/16/30/487671630.db2.gz MDKDAMGZWIAYEH-ZETCQYMHSA-N 2 2 211.273 -1.711 10 0 BAAELP Cn1nnnc1N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000087613852 487671628 /nfs/dbraw/zinc/67/16/28/487671628.db2.gz MDKDAMGZWIAYEH-ZETCQYMHSA-N 2 2 211.273 -1.711 10 0 BAAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000088002145 351474476 /nfs/dbraw/zinc/47/44/76/351474476.db2.gz RUVWYFZABPEENT-MRVPVSSYSA-N 2 2 201.270 -1.266 10 0 BAAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000088002146 343689545 /nfs/dbraw/zinc/68/95/45/343689545.db2.gz RUVWYFZABPEENT-QMMMGPOBSA-N 2 2 201.270 -1.266 10 0 BAAELP COC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000088002397 351481923 /nfs/dbraw/zinc/48/19/23/351481923.db2.gz NSCJOWKJYFDJNG-SECBINFHSA-N 2 2 231.296 -1.592 10 0 BAAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000088002772 351479704 /nfs/dbraw/zinc/47/97/04/351479704.db2.gz JIYPKILGQRQKJS-VIFPVBQESA-N 2 2 231.296 -1.903 10 0 BAAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000088002773 351480378 /nfs/dbraw/zinc/48/03/78/351480378.db2.gz JIYPKILGQRQKJS-SECBINFHSA-N 2 2 231.296 -1.903 10 0 BAAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000091669132 488058231 /nfs/dbraw/zinc/05/82/31/488058231.db2.gz GNAYPPYDZWZKMO-ZJUUUORDSA-N 2 2 243.307 -1.578 10 0 BAAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000091669132 488058226 /nfs/dbraw/zinc/05/82/26/488058226.db2.gz GNAYPPYDZWZKMO-ZJUUUORDSA-N 2 2 243.307 -1.578 10 0 BAAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000091669134 488057855 /nfs/dbraw/zinc/05/78/55/488057855.db2.gz GNAYPPYDZWZKMO-UWVGGRQHSA-N 2 2 243.307 -1.578 10 0 BAAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000091669134 488057853 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COCC[NH2+]CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000092510747 343148081 /nfs/dbraw/zinc/14/80/81/343148081.db2.gz MSSIFIHFXTYPNX-JTQLQIEISA-N 2 2 245.323 -1.331 10 0 BAAELP COCC[NH2+]CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000092510747 343148079 /nfs/dbraw/zinc/14/80/79/343148079.db2.gz MSSIFIHFXTYPNX-JTQLQIEISA-N 2 2 245.323 -1.331 10 0 BAAELP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000104207750 176329434 /nfs/dbraw/zinc/32/94/34/176329434.db2.gz RVGWDOAHAWLJDF-MNOVXSKESA-N 2 2 241.335 -1.022 10 0 BAAELP C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000104207755 177285577 /nfs/dbraw/zinc/28/55/77/177285577.db2.gz RVGWDOAHAWLJDF-QWRGUYRKSA-N 2 2 241.335 -1.022 10 0 BAAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000104207759 176329756 /nfs/dbraw/zinc/32/97/56/176329756.db2.gz RVGWDOAHAWLJDF-GHMZBOCLSA-N 2 2 241.335 -1.022 10 0 BAAELP C[C@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000104207764 188151281 /nfs/dbraw/zinc/15/12/81/188151281.db2.gz RVGWDOAHAWLJDF-WDEREUQCSA-N 2 2 241.335 -1.022 10 0 BAAELP NC(=O)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000104851336 181234206 /nfs/dbraw/zinc/23/42/06/181234206.db2.gz BXNPPNGZGCSIBK-ZCFIWIBFSA-N 2 2 211.225 -2.119 10 0 BAAELP C[N@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H](C[NH3+])C1 ZINC000123161387 343161406 /nfs/dbraw/zinc/16/14/06/343161406.db2.gz OSBWEHLLUDOSLZ-RKDXNWHRSA-N 2 2 240.307 -1.776 10 0 BAAELP C[N@@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H](C[NH3+])C1 ZINC000123161387 343161402 /nfs/dbraw/zinc/16/14/02/343161402.db2.gz OSBWEHLLUDOSLZ-RKDXNWHRSA-N 2 2 240.307 -1.776 10 0 BAAELP C[N@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000123161639 344987881 /nfs/dbraw/zinc/98/78/81/344987881.db2.gz OSBWEHLLUDOSLZ-BDAKNGLRSA-N 2 2 240.307 -1.776 10 0 BAAELP C[N@@H+]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000123161639 344987879 /nfs/dbraw/zinc/98/78/79/344987879.db2.gz OSBWEHLLUDOSLZ-BDAKNGLRSA-N 2 2 240.307 -1.776 10 0 BAAELP C[C@@H]1CN(C[C@H]([NH3+])C(N)=O)C[C@H](C)[N@@H+]1C ZINC000127767583 344646348 /nfs/dbraw/zinc/64/63/48/344646348.db2.gz UQWCVRSYRWGEQE-YIZRAAEISA-N 2 2 214.313 -1.177 10 0 BAAELP C[C@@H]1CN(C[C@H]([NH3+])C(N)=O)C[C@H](C)[N@H+]1C ZINC000127767583 344646346 /nfs/dbraw/zinc/64/63/46/344646346.db2.gz UQWCVRSYRWGEQE-YIZRAAEISA-N 2 2 214.313 -1.177 10 0 BAAELP C[C@@H]1CN(C[C@H]([NH3+])C(N)=O)C[C@@H](C)[NH+]1C ZINC000127768065 344646402 /nfs/dbraw/zinc/64/64/02/344646402.db2.gz UQWCVRSYRWGEQE-HLTSFMKQSA-N 2 2 214.313 -1.177 10 0 BAAELP CC1(C)C(=O)NCC[N@@H+]1C[C@H](O)C[NH3+] ZINC000130250564 358979590 /nfs/dbraw/zinc/97/95/90/358979590.db2.gz QKRIXLYSAKSONX-SSDOTTSWSA-N 2 2 201.270 -1.484 10 0 BAAELP CC1(C)C(=O)NCC[N@H+]1C[C@H](O)C[NH3+] ZINC000130250564 358979587 /nfs/dbraw/zinc/97/95/87/358979587.db2.gz QKRIXLYSAKSONX-SSDOTTSWSA-N 2 2 201.270 -1.484 10 0 BAAELP CC1(C)C(=O)NCC[N@@H+]1C[C@@H](O)C[NH3+] ZINC000130250780 358979618 /nfs/dbraw/zinc/97/96/18/358979618.db2.gz QKRIXLYSAKSONX-ZETCQYMHSA-N 2 2 201.270 -1.484 10 0 BAAELP CC1(C)C(=O)NCC[N@H+]1C[C@@H](O)C[NH3+] ZINC000130250780 358979615 /nfs/dbraw/zinc/97/96/15/358979615.db2.gz QKRIXLYSAKSONX-ZETCQYMHSA-N 2 2 201.270 -1.484 10 0 BAAELP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000133232343 384229595 /nfs/dbraw/zinc/22/95/95/384229595.db2.gz NDWIZFNVFWPFCZ-SSDOTTSWSA-N 2 2 214.269 -1.006 10 0 BAAELP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000133232521 384230076 /nfs/dbraw/zinc/23/00/76/384230076.db2.gz NDWIZFNVFWPFCZ-ZETCQYMHSA-N 2 2 214.269 -1.006 10 0 BAAELP [NH3+]C[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000133247181 386286766 /nfs/dbraw/zinc/28/67/66/386286766.db2.gz WPQIHIWFJOKAKD-QMMMGPOBSA-N 2 2 226.280 -1.039 10 0 BAAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000133247181 386286760 /nfs/dbraw/zinc/28/67/60/386286760.db2.gz WPQIHIWFJOKAKD-QMMMGPOBSA-N 2 2 226.280 -1.039 10 0 BAAELP [NH3+]C[C@@H]1C[NH2+]CCNCC[NH2+]CCN1 ZINC000142435323 345863083 /nfs/dbraw/zinc/86/30/83/345863083.db2.gz HWVOBYJTJPXGSF-SECBINFHSA-N 3 2 201.318 -2.314 10 0 BAAELP [NH3+]C[C@@H]1CNCC[NH2+]CC[NH2+]CCN1 ZINC000142435323 345863080 /nfs/dbraw/zinc/86/30/80/345863080.db2.gz HWVOBYJTJPXGSF-SECBINFHSA-N 3 2 201.318 -2.314 10 0 BAAELP [NH3+]C[C@H]1C[NH2+]CCNCC[NH2+]CCN1 ZINC000142435546 345863001 /nfs/dbraw/zinc/86/30/01/345863001.db2.gz HWVOBYJTJPXGSF-VIFPVBQESA-N 3 2 201.318 -2.314 10 0 BAAELP [NH3+]C[C@H]1CNCC[NH2+]CC[NH2+]CCN1 ZINC000142435546 345862998 /nfs/dbraw/zinc/86/29/98/345862998.db2.gz HWVOBYJTJPXGSF-VIFPVBQESA-N 3 2 201.318 -2.314 10 0 BAAELP O=C1CN2CCN1CC[NH2+]CC[NH2+]CC2 ZINC000142728982 259324703 /nfs/dbraw/zinc/32/47/03/259324703.db2.gz ASZOLYZWJGOQDY-UHFFFAOYSA-N 2 2 212.297 -1.677 10 0 BAAELP [NH3+]CCC[NH+](CCC[NH3+])C[C@H](O)CO ZINC000148688429 346405428 /nfs/dbraw/zinc/40/54/28/346405428.db2.gz YARJMVZKVOXUFC-VIFPVBQESA-N 3 2 205.302 -1.661 10 0 BAAELP [NH3+]CCC[NH+](CCC[NH3+])C[C@@H](O)CO ZINC000148688636 346405414 /nfs/dbraw/zinc/40/54/14/346405414.db2.gz YARJMVZKVOXUFC-SECBINFHSA-N 3 2 205.302 -1.661 10 0 BAAELP COC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159649914 345453306 /nfs/dbraw/zinc/45/33/06/345453306.db2.gz ZNMQZVBIFKMXFC-VHSXEESVSA-N 2 2 245.323 -1.203 10 0 BAAELP COC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159650017 345453194 /nfs/dbraw/zinc/45/31/94/345453194.db2.gz ZNMQZVBIFKMXFC-NXEZZACHSA-N 2 2 245.323 -1.203 10 0 BAAELP COC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159650190 345453518 /nfs/dbraw/zinc/45/35/18/345453518.db2.gz ZNMQZVBIFKMXFC-UWVGGRQHSA-N 2 2 245.323 -1.203 10 0 BAAELP COC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159650328 345453498 /nfs/dbraw/zinc/45/34/98/345453498.db2.gz ZNMQZVBIFKMXFC-ZJUUUORDSA-N 2 2 245.323 -1.203 10 0 BAAELP CC(C)S(=O)(=O)N1CC[NH2+]C[C@@H]1C[NH3+] ZINC000164633956 346613978 /nfs/dbraw/zinc/61/39/78/346613978.db2.gz UEOQPGAOJYKYQX-QMMMGPOBSA-N 2 2 221.326 -1.043 10 0 BAAELP CC(C)S(=O)(=O)N1CC[NH2+]C[C@H]1C[NH3+] ZINC000164634091 346614182 /nfs/dbraw/zinc/61/41/82/346614182.db2.gz UEOQPGAOJYKYQX-MRVPVSSYSA-N 2 2 221.326 -1.043 10 0 BAAELP CCS(=O)(=O)N1CC[NH2+]C[C@@H]1C[NH3+] ZINC000164634505 346614328 /nfs/dbraw/zinc/61/43/28/346614328.db2.gz IWYKYAOFPPFYJS-ZETCQYMHSA-N 2 2 207.299 -1.431 10 0 BAAELP CCS(=O)(=O)N1CC[NH2+]C[C@H]1C[NH3+] ZINC000164634619 346614102 /nfs/dbraw/zinc/61/41/02/346614102.db2.gz IWYKYAOFPPFYJS-SSDOTTSWSA-N 2 2 207.299 -1.431 10 0 BAAELP [NH3+]C[C@@H]1C[NH2+]CCN1S(=O)(=O)C(F)F ZINC000164635392 346614067 /nfs/dbraw/zinc/61/40/67/346614067.db2.gz OBBLHLDPODSTPR-RXMQYKEDSA-N 2 2 229.252 -1.229 10 0 BAAELP [NH3+]C[C@H]1C[NH2+]CCN1S(=O)(=O)C(F)F ZINC000164635497 346614046 /nfs/dbraw/zinc/61/40/46/346614046.db2.gz OBBLHLDPODSTPR-YFKPBYRVSA-N 2 2 229.252 -1.229 10 0 BAAELP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170758413 385443890 /nfs/dbraw/zinc/44/38/90/385443890.db2.gz ZEHIXQRZDVQGDK-SECBINFHSA-N 2 2 215.297 -1.005 10 0 BAAELP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170758413 385443885 /nfs/dbraw/zinc/44/38/85/385443885.db2.gz ZEHIXQRZDVQGDK-SECBINFHSA-N 2 2 215.297 -1.005 10 0 BAAELP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170758416 134253456 /nfs/dbraw/zinc/25/34/56/134253456.db2.gz ZEHIXQRZDVQGDK-VIFPVBQESA-N 2 2 215.297 -1.005 10 0 BAAELP C[NH+](C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170758416 134253455 /nfs/dbraw/zinc/25/34/55/134253455.db2.gz ZEHIXQRZDVQGDK-VIFPVBQESA-N 2 2 215.297 -1.005 10 0 BAAELP C[NH+]1CCN(C(=O)[C@]2(O)CCC[NH2+]C2)CC1 ZINC000212793428 488137190 /nfs/dbraw/zinc/13/71/90/488137190.db2.gz LFITZUYIZUFJSU-NSHDSACASA-N 2 2 227.308 -1.125 10 0 BAAELP C[NH+]1CCN(C(=O)[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000212793492 488048146 /nfs/dbraw/zinc/04/81/46/488048146.db2.gz LFITZUYIZUFJSU-LLVKDONJSA-N 2 2 227.308 -1.125 10 0 BAAELP [NH3+]C1(C(=O)N2CCOCC2)CC[NH2+]CC1 ZINC000212820927 359332938 /nfs/dbraw/zinc/33/29/38/359332938.db2.gz COBFAZOCJXICBR-UHFFFAOYSA-N 2 2 213.281 -1.074 10 0 BAAELP OCCN1CC[NH2+]CC[N@@H+](CCO)CC1 ZINC000216112491 527553388 /nfs/dbraw/zinc/55/33/88/527553388.db2.gz PQIBZYWPSHWHPQ-UHFFFAOYSA-N 2 2 217.313 -1.822 10 0 BAAELP OCCN1CC[NH2+]CC[N@H+](CCO)CC1 ZINC000216112491 527553383 /nfs/dbraw/zinc/55/33/83/527553383.db2.gz PQIBZYWPSHWHPQ-UHFFFAOYSA-N 2 2 217.313 -1.822 10 0 BAAELP C[C@@H]1CN(C[C@@](C)([NH3+])C(N)=O)CC[N@H+]1C ZINC000216619510 371779307 /nfs/dbraw/zinc/77/93/07/371779307.db2.gz KWNUVDILDRVGSA-PSASIEDQSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@H]1CN(C[C@@](C)([NH3+])C(N)=O)CC[N@H+]1C ZINC000216619557 342807820 /nfs/dbraw/zinc/80/78/20/342807820.db2.gz KWNUVDILDRVGSA-WCBMZHEXSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@H]1CN(C[C@@](C)([NH3+])C(N)=O)CC[N@@H+]1C ZINC000216619557 342807817 /nfs/dbraw/zinc/80/78/17/342807817.db2.gz KWNUVDILDRVGSA-WCBMZHEXSA-N 2 2 214.313 -1.175 10 0 BAAELP C[N@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000226293557 358337525 /nfs/dbraw/zinc/33/75/25/358337525.db2.gz OSBWEHLLUDOSLZ-IUCAKERBSA-N 2 2 240.307 -1.776 10 0 BAAELP C[N@@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000226293557 358337520 /nfs/dbraw/zinc/33/75/20/358337520.db2.gz OSBWEHLLUDOSLZ-IUCAKERBSA-N 2 2 240.307 -1.776 10 0 BAAELP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000227816353 176267999 /nfs/dbraw/zinc/26/79/99/176267999.db2.gz LGPYZEGYTYMEET-SFYZADRCSA-N 2 2 228.296 -1.648 10 0 BAAELP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000227816353 176267998 /nfs/dbraw/zinc/26/79/98/176267998.db2.gz LGPYZEGYTYMEET-SFYZADRCSA-N 2 2 228.296 -1.648 10 0 BAAELP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000227816359 177232624 /nfs/dbraw/zinc/23/26/24/177232624.db2.gz LGPYZEGYTYMEET-YUMQZZPRSA-N 2 2 228.296 -1.648 10 0 BAAELP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000227816359 177232622 /nfs/dbraw/zinc/23/26/22/177232622.db2.gz LGPYZEGYTYMEET-YUMQZZPRSA-N 2 2 228.296 -1.648 10 0 BAAELP C[N@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H](C[NH3+])C1 ZINC000228059484 358368085 /nfs/dbraw/zinc/36/80/85/358368085.db2.gz OSBWEHLLUDOSLZ-DTWKUNHWSA-N 2 2 240.307 -1.776 10 0 BAAELP C[N@@H+]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H](C[NH3+])C1 ZINC000228059484 358368081 /nfs/dbraw/zinc/36/80/81/358368081.db2.gz OSBWEHLLUDOSLZ-DTWKUNHWSA-N 2 2 240.307 -1.776 10 0 BAAELP C[C@@H]1CN(C[C@@H]([NH3+])C(N)=O)C[C@@H](C)[NH+]1C ZINC000228816372 372083892 /nfs/dbraw/zinc/08/38/92/372083892.db2.gz UQWCVRSYRWGEQE-IWSPIJDZSA-N 2 2 214.313 -1.177 10 0 BAAELP C[C@@H]1CN(C[C@@H]([NH3+])C(N)=O)C[C@H](C)[N@@H+]1C ZINC000228816378 372083515 /nfs/dbraw/zinc/08/35/15/372083515.db2.gz UQWCVRSYRWGEQE-HRDYMLBCSA-N 2 2 214.313 -1.177 10 0 BAAELP C[C@@H]1CN(C[C@@H]([NH3+])C(N)=O)C[C@H](C)[N@H+]1C ZINC000228816378 372083510 /nfs/dbraw/zinc/08/35/10/372083510.db2.gz UQWCVRSYRWGEQE-HRDYMLBCSA-N 2 2 214.313 -1.177 10 0 BAAELP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000232122317 342787963 /nfs/dbraw/zinc/78/79/63/342787963.db2.gz PIQDCLYZVJXBHA-NXEZZACHSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000232122317 342787961 /nfs/dbraw/zinc/78/79/61/342787961.db2.gz PIQDCLYZVJXBHA-NXEZZACHSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000232122319 342787911 /nfs/dbraw/zinc/78/79/11/342787911.db2.gz PIQDCLYZVJXBHA-VHSXEESVSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000232122319 342787909 /nfs/dbraw/zinc/78/79/09/342787909.db2.gz PIQDCLYZVJXBHA-VHSXEESVSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000232122320 342788000 /nfs/dbraw/zinc/78/80/00/342788000.db2.gz PIQDCLYZVJXBHA-ZJUUUORDSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000232122320 342787999 /nfs/dbraw/zinc/78/79/99/342787999.db2.gz PIQDCLYZVJXBHA-ZJUUUORDSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000232122322 342788045 /nfs/dbraw/zinc/78/80/45/342788045.db2.gz PIQDCLYZVJXBHA-UWVGGRQHSA-N 2 2 245.323 -1.203 10 0 BAAELP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000232122322 342788044 /nfs/dbraw/zinc/78/80/44/342788044.db2.gz PIQDCLYZVJXBHA-UWVGGRQHSA-N 2 2 245.323 -1.203 10 0 BAAELP C[C@@H]1C[N@@H+](C)CCN1C[C@@](C)([NH3+])C(N)=O ZINC000235484292 344923674 /nfs/dbraw/zinc/92/36/74/344923674.db2.gz ZEFRZWKVUOXQQS-PSASIEDQSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@@H]1C[N@H+](C)CCN1C[C@@](C)([NH3+])C(N)=O ZINC000235484292 344923672 /nfs/dbraw/zinc/92/36/72/344923672.db2.gz ZEFRZWKVUOXQQS-PSASIEDQSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@H]1C[N@@H+](C)CCN1C[C@@](C)([NH3+])C(N)=O ZINC000235592487 344950725 /nfs/dbraw/zinc/95/07/25/344950725.db2.gz ZEFRZWKVUOXQQS-WCBMZHEXSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@H]1C[N@H+](C)CCN1C[C@@](C)([NH3+])C(N)=O ZINC000235592487 344950722 /nfs/dbraw/zinc/95/07/22/344950722.db2.gz ZEFRZWKVUOXQQS-WCBMZHEXSA-N 2 2 214.313 -1.175 10 0 BAAELP CNC(=O)CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250409417 362803815 /nfs/dbraw/zinc/80/38/15/362803815.db2.gz VSJFHULUMVZWLX-MRVPVSSYSA-N 2 2 200.286 -1.693 10 0 BAAELP CNC(=O)CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250409417 362803811 /nfs/dbraw/zinc/80/38/11/362803811.db2.gz VSJFHULUMVZWLX-MRVPVSSYSA-N 2 2 200.286 -1.693 10 0 BAAELP Cn1nnnc1N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250804962 487741325 /nfs/dbraw/zinc/74/13/25/487741325.db2.gz MDKDAMGZWIAYEH-SSDOTTSWSA-N 2 2 211.273 -1.711 10 0 BAAELP Cn1nnnc1N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250804962 487741321 /nfs/dbraw/zinc/74/13/21/487741321.db2.gz MDKDAMGZWIAYEH-SSDOTTSWSA-N 2 2 211.273 -1.711 10 0 BAAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000252541757 135092391 /nfs/dbraw/zinc/09/23/91/135092391.db2.gz FEHKIRRUJYBSQO-NXEZZACHSA-N 2 2 243.307 -1.578 10 0 BAAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000252541757 135092390 /nfs/dbraw/zinc/09/23/90/135092390.db2.gz FEHKIRRUJYBSQO-NXEZZACHSA-N 2 2 243.307 -1.578 10 0 BAAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000252541759 536436149 /nfs/dbraw/zinc/43/61/49/536436149.db2.gz FEHKIRRUJYBSQO-VHSXEESVSA-N 2 2 243.307 -1.578 10 0 BAAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000252541759 536436147 /nfs/dbraw/zinc/43/61/47/536436147.db2.gz FEHKIRRUJYBSQO-VHSXEESVSA-N 2 2 243.307 -1.578 10 0 BAAELP C[NH2+][C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]([NH2+]C)[C@@H]1O ZINC000256160855 324191792 /nfs/dbraw/zinc/19/17/92/324191792.db2.gz QRJMLIPXTTYRMQ-DPCUATEDSA-N 2 2 206.242 -3.380 10 0 BAAELP C[NH2+][C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]([NH2+]C)[C@@H]1O ZINC000256160857 324192021 /nfs/dbraw/zinc/19/20/21/324192021.db2.gz QRJMLIPXTTYRMQ-KLTGVMNRSA-N 2 2 206.242 -3.380 10 0 BAAELP C[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]([NH2+]C)[C@@H]1O ZINC000256160859 324191626 /nfs/dbraw/zinc/19/16/26/324191626.db2.gz QRJMLIPXTTYRMQ-YKOWBEQASA-N 2 2 206.242 -3.380 10 0 BAAELP C[NH2+]CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000261533169 135164557 /nfs/dbraw/zinc/16/45/57/135164557.db2.gz AVGMBANWVIODLQ-BDAKNGLRSA-N 2 2 213.281 -1.253 10 0 BAAELP C[NH2+]CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000261533169 135164555 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10 0 BAAELP COC[C@H]([NH3+])C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000262372131 135297756 /nfs/dbraw/zinc/29/77/56/135297756.db2.gz WVPQMJBMODKTIY-LPEHRKFASA-N 2 2 243.307 -1.499 10 0 BAAELP COC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000262376573 135298077 /nfs/dbraw/zinc/29/80/77/135298077.db2.gz XHXUBEAYGYDSOD-JTQLQIEISA-N 2 2 245.323 -1.249 10 0 BAAELP COC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000262376575 135297590 /nfs/dbraw/zinc/29/75/90/135297590.db2.gz XHXUBEAYGYDSOD-SNVBAGLBSA-N 2 2 245.323 -1.249 10 0 BAAELP C[C@@H]1C[N@@H+](C)CCN1C[C@](C)([NH3+])C(N)=O ZINC000300356185 358971265 /nfs/dbraw/zinc/97/12/65/358971265.db2.gz ZEFRZWKVUOXQQS-SCZZXKLOSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@@H]1C[N@H+](C)CCN1C[C@](C)([NH3+])C(N)=O ZINC000300356185 358971260 /nfs/dbraw/zinc/97/12/60/358971260.db2.gz ZEFRZWKVUOXQQS-SCZZXKLOSA-N 2 2 214.313 -1.175 10 0 BAAELP C[C@H]1C[N@@H+](C)CCN1C[C@](C)([NH3+])C(N)=O ZINC000300356186 358972034 /nfs/dbraw/zinc/97/20/34/358972034.db2.gz 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ZINC000307450885 352607389 /nfs/dbraw/zinc/60/73/89/352607389.db2.gz QNXRMFQMUGOSAY-VIFPVBQESA-N 2 2 201.270 -1.482 10 0 BAAELP C[C@](O)(C[NH3+])C[N@@H+]1CCCNC(=O)C1 ZINC000307450885 352607385 /nfs/dbraw/zinc/60/73/85/352607385.db2.gz QNXRMFQMUGOSAY-VIFPVBQESA-N 2 2 201.270 -1.482 10 0 BAAELP NC(=O)CC[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000308902284 323181009 /nfs/dbraw/zinc/18/10/09/323181009.db2.gz IBCDOQAZHSXLJY-SECBINFHSA-N 2 2 215.297 -1.092 10 0 BAAELP NC(=O)CC[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000308902284 323181008 /nfs/dbraw/zinc/18/10/08/323181008.db2.gz IBCDOQAZHSXLJY-SECBINFHSA-N 2 2 215.297 -1.092 10 0 BAAELP NC(=O)CC[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000308902286 323180921 /nfs/dbraw/zinc/18/09/21/323180921.db2.gz IBCDOQAZHSXLJY-VIFPVBQESA-N 2 2 215.297 -1.092 10 0 BAAELP NC(=O)CC[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000308902286 323180920 /nfs/dbraw/zinc/18/09/20/323180920.db2.gz IBCDOQAZHSXLJY-VIFPVBQESA-N 2 2 215.297 -1.092 10 0 BAAELP CS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321146375 538867364 /nfs/dbraw/zinc/86/73/64/538867364.db2.gz FQDCUGRJNWPNRU-UHFFFAOYSA-N 2 2 221.326 -1.041 10 0 BAAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384777946 356746060 /nfs/dbraw/zinc/74/60/60/356746060.db2.gz LHGXZNHTBQOVPT-DTWKUNHWSA-N 2 2 213.281 -1.205 10 0 BAAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384777946 356746058 /nfs/dbraw/zinc/74/60/58/356746058.db2.gz LHGXZNHTBQOVPT-DTWKUNHWSA-N 2 2 213.281 -1.205 10 0 BAAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384778006 356746682 /nfs/dbraw/zinc/74/66/82/356746682.db2.gz LHGXZNHTBQOVPT-RKDXNWHRSA-N 2 2 213.281 -1.205 10 0 BAAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000384778006 356746680 /nfs/dbraw/zinc/74/66/80/356746680.db2.gz LHGXZNHTBQOVPT-RKDXNWHRSA-N 2 2 213.281 -1.205 10 0 BAAELP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000389892288 398145845 /nfs/dbraw/zinc/14/58/45/398145845.db2.gz ANQODVMGUASDIQ-MRVPVSSYSA-N 2 2 221.326 -1.123 10 0 BAAELP CNS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C1 ZINC000389892289 398145735 /nfs/dbraw/zinc/14/57/35/398145735.db2.gz ANQODVMGUASDIQ-QMMMGPOBSA-N 2 2 221.326 -1.123 10 0 BAAELP CC(=O)N1CC[NH+](C[C@@H]2OC[C@H]([NH3+])[C@H]2O)CC1 ZINC000514287989 384402627 /nfs/dbraw/zinc/40/26/27/384402627.db2.gz FWUZXRPNWJCXBH-GARJFASQSA-N 2 2 243.307 -1.763 10 0 biogenic,in-vitro BAAELP [NH3+][C@H]1CO[C@@H](C[NH+]2CCOCC2)[C@@H]1O ZINC000514288050 384403031 /nfs/dbraw/zinc/40/30/31/384403031.db2.gz XZGYTFGXECDMCE-XHNCKOQMSA-N 2 2 202.254 -1.594 10 0 biogenic,in-vitro BAAELP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000572703576 384265633 /nfs/dbraw/zinc/26/56/33/384265633.db2.gz RCMHMRIHNXECMF-MXWKQRLJSA-N 2 2 232.324 -1.274 10 0 BAAELP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000572703576 384265628 /nfs/dbraw/zinc/26/56/28/384265628.db2.gz RCMHMRIHNXECMF-MXWKQRLJSA-N 2 2 232.324 -1.274 10 0 BAAELP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1CO ZINC000572703576 384265625 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C[N@H+]1CC[C@@]2(C1)NC[C@]1(COCC[NH2+]1)CO2 ZINC000757148483 582533247 /nfs/dbraw/zinc/53/32/47/582533247.db2.gz UQPUVUGPCCMNHM-WDEREUQCSA-N 2 2 227.308 -1.003 10 0 BAAELP C[N@@H+]1CC[C@@]2(C1)NC[C@]1(COCC[NH2+]1)CO2 ZINC000757148483 582533245 /nfs/dbraw/zinc/53/32/45/582533245.db2.gz UQPUVUGPCCMNHM-WDEREUQCSA-N 2 2 227.308 -1.003 10 0 BAAELP NC(=O)[C@H]1CC[N@H+]1CCOCCC[NH3+] ZINC000757148641 582532575 /nfs/dbraw/zinc/53/25/75/582532575.db2.gz TXBPASXHFJCWDL-MRVPVSSYSA-N 2 2 201.270 -1.089 10 0 BAAELP NC(=O)[C@H]1CC[N@@H+]1CCOCCC[NH3+] ZINC000757148641 582532573 /nfs/dbraw/zinc/53/25/73/582532573.db2.gz TXBPASXHFJCWDL-MRVPVSSYSA-N 2 2 201.270 -1.089 10 0 BAAELP NC(=O)[C@@H]1CC[N@H+]1CCOCCC[NH3+] ZINC000757148660 582532902 /nfs/dbraw/zinc/53/29/02/582532902.db2.gz TXBPASXHFJCWDL-QMMMGPOBSA-N 2 2 201.270 -1.089 10 0 BAAELP NC(=O)[C@@H]1CC[N@@H+]1CCOCCC[NH3+] ZINC000757148660 582532901 /nfs/dbraw/zinc/53/29/01/582532901.db2.gz TXBPASXHFJCWDL-QMMMGPOBSA-N 2 2 201.270 -1.089 10 0 BAAELP 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