smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC(=O)NC[C@@H]([NH3+])CC 82578626 534945585 /nfs/dbraw/zinc/94/55/85/534945585.db2.gz HZLTUMUVQJKLIT-QMMMGPOBSA-N 1 0 172.272 1.030 20 0 ADADRO CC(C)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 86900807 535291361 /nfs/dbraw/zinc/29/13/61/535291361.db2.gz GZLDIBZAPNYGFU-QWRGUYRKSA-N 1 0 199.294 1.323 20 0 ADADRO CC[NH2+][C@H]1CC(C)(C)OC1(C)C 86926857 535516643 /nfs/dbraw/zinc/51/66/43/535516643.db2.gz KQEVNXPHDYSNBF-QMMMGPOBSA-N 1 0 171.284 1.942 20 0 ADADRO CC[C@@H]([NH3+])CNC(=O)c1cccs1 82578870 535778660 /nfs/dbraw/zinc/77/86/60/535778660.db2.gz NHJJNEPEWLXWCE-SSDOTTSWSA-N 1 0 198.291 1.215 20 0 ADADRO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C 252439041 535812686 /nfs/dbraw/zinc/81/26/86/535812686.db2.gz KAGVPTGPSKPUIM-NXEZZACHSA-N 1 0 171.284 1.632 20 0 ADADRO CC[C@@H](O)C[N@@H+]1CCC[C@H]1C 252415944 535812825 /nfs/dbraw/zinc/81/28/25/535812825.db2.gz MPUNWVMBFIYDFT-RKDXNWHRSA-N 1 0 157.257 1.242 20 0 ADADRO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C)C1 229381884 535844818 /nfs/dbraw/zinc/84/48/18/535844818.db2.gz ODDXSAFAMRUMAA-MNOVXSKESA-N 1 0 185.311 1.879 20 0 ADADRO COC1CC([NH2+][C@@H]2CC2(C)C)C1 220872330 536721511 /nfs/dbraw/zinc/72/15/11/536721511.db2.gz WJYFGXNOSVQZRY-AMDVSUOASA-N 1 0 169.268 1.552 20 0 ADADRO Cc1cccc2cc(C[NH3+])c(=O)[nH]c12 11980029 537777540 /nfs/dbraw/zinc/77/75/40/537777540.db2.gz GGEWJGKAXUTTPU-UHFFFAOYSA-N 1 0 188.230 1.295 20 0 ADADRO C[NH+](C)[C@H](CC(N)=O)c1ccccc1 5342335 537776447 /nfs/dbraw/zinc/77/64/47/537776447.db2.gz JJYMVYSGHLOINM-SNVBAGLBSA-N 1 0 192.262 1.165 20 0 ADADRO C[NH+](C)[C@@H](CC(N)=O)c1ccccc1 5342316 537776476 /nfs/dbraw/zinc/77/64/76/537776476.db2.gz JJYMVYSGHLOINM-JTQLQIEISA-N 1 0 192.262 1.165 20 0 ADADRO CC(C)[NH2+][C@@H](CO)Cc1ccccc1 13356661 537777041 /nfs/dbraw/zinc/77/70/41/537777041.db2.gz KADBZFFWQMXWPQ-GFCCVEGCSA-N 1 0 193.290 1.588 20 0 ADADRO CC(C)CC[C@@H](C)[NH2+]CCN(C)C 19278044 537777101 /nfs/dbraw/zinc/77/71/01/537777101.db2.gz CIDKVZCZEYXTES-LLVKDONJSA-N 1 0 186.343 1.962 20 0 ADADRO CC(C)(C)C[C@@](C)(O)CC[NH3+] 17402041 537777278 /nfs/dbraw/zinc/77/72/78/537777278.db2.gz OUKQAFCKSSTQKR-VIFPVBQESA-N 1 0 159.273 1.522 20 0 ADADRO CC(C)C[C@@H](O)C(C)(C)C[NH3+] 17699519 537777903 /nfs/dbraw/zinc/77/79/03/537777903.db2.gz BKTDZOHIQKWPRL-MRVPVSSYSA-N 1 0 159.273 1.378 20 0 ADADRO COC(C)(C)C[NH2+]CC(C)C 17619152 537777970 /nfs/dbraw/zinc/77/79/70/537777970.db2.gz KWEUSGYXDGXHLO-UHFFFAOYSA-N 1 0 159.273 1.657 20 0 ADADRO C[C@H]([NH2+]CCN(C)C)c1ccco1 19255218 537778161 /nfs/dbraw/zinc/77/81/61/537778161.db2.gz WDKDDAOTEYPZKS-VIFPVBQESA-N 1 0 182.267 1.492 20 0 ADADRO CC(C)[NH2+][C@H](CO)Cc1ccccc1 13356658 537778257 /nfs/dbraw/zinc/77/82/57/537778257.db2.gz KADBZFFWQMXWPQ-LBPRGKRZSA-N 1 0 193.290 1.588 20 0 ADADRO CC(C)(C)C[C@](C)(O)CC[NH3+] 17402043 537778798 /nfs/dbraw/zinc/77/87/98/537778798.db2.gz OUKQAFCKSSTQKR-SECBINFHSA-N 1 0 159.273 1.522 20 0 ADADRO CC(C)CC[C@H](C)[NH2+]CCN(C)C 19278046 537778806 /nfs/dbraw/zinc/77/88/06/537778806.db2.gz CIDKVZCZEYXTES-NSHDSACASA-N 1 0 186.343 1.962 20 0 ADADRO CC(C)C[NH2+]CC(C)(C)CO 17618065 537779278 /nfs/dbraw/zinc/77/92/78/537779278.db2.gz OXFPJHGLPPALHW-UHFFFAOYSA-N 1 0 159.273 1.251 20 0 ADADRO CCC[N@H+](C)CC(C)(C)OC 17666322 537779302 /nfs/dbraw/zinc/77/93/02/537779302.db2.gz GJPZHOSWAMLHNL-UHFFFAOYSA-N 1 0 159.273 1.753 20 0 ADADRO COC(C)(C)C[NH2+]C(C)(C)C 17438583 537779404 /nfs/dbraw/zinc/77/94/04/537779404.db2.gz IGZQSIBCGAHTDC-UHFFFAOYSA-N 1 0 159.273 1.800 20 0 ADADRO CC[C@H](C)C[NH2+]CCCOC 20142897 537780081 /nfs/dbraw/zinc/78/00/81/537780081.db2.gz ILNUZIGCLOOWTM-VIFPVBQESA-N 1 0 159.273 1.659 20 0 ADADRO CC(C)[C@H](C)[NH2+]CCN1CCCC1 20126871 537780107 /nfs/dbraw/zinc/78/01/07/537780107.db2.gz XSAFUXXZJWGXJP-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@@H](C)[NH2+]Cc1ccc(OC)nc1 20186412 537780156 /nfs/dbraw/zinc/78/01/56/537780156.db2.gz JYARPFGVRSUIST-SECBINFHSA-N 1 0 194.278 1.978 20 0 ADADRO COCCC[NH2+][C@H](C)C1CC1 20142405 537780193 /nfs/dbraw/zinc/78/01/93/537780193.db2.gz VXBUFMBZIHXDOZ-MRVPVSSYSA-N 1 0 157.257 1.411 20 0 ADADRO CC[C@@H](C)C[NH2+]CCCOC 20142895 537780275 /nfs/dbraw/zinc/78/02/75/537780275.db2.gz ILNUZIGCLOOWTM-SECBINFHSA-N 1 0 159.273 1.659 20 0 ADADRO CC[NH2+]Cc1ccc(OC)nc1 20186396 537780358 /nfs/dbraw/zinc/78/03/58/537780358.db2.gz KVRXIZUTFHBWPI-UHFFFAOYSA-N 1 0 166.224 1.200 20 0 ADADRO CC[C@H](C)C[NH2+]CCOC 20085585 537780385 /nfs/dbraw/zinc/78/03/85/537780385.db2.gz VMYXKYSQCXKMLD-QMMMGPOBSA-N 1 0 145.246 1.269 20 0 ADADRO C[C@H]([NH2+]CCCO)c1cccc(O)c1 20188131 537780493 /nfs/dbraw/zinc/78/04/93/537780493.db2.gz SHLBCUHRCMSLSM-VIFPVBQESA-N 1 0 195.262 1.425 20 0 ADADRO CC(C)C(=O)NCC[NH2+][C@@H](C)C1CC1 20125245 537780575 /nfs/dbraw/zinc/78/05/75/537780575.db2.gz FUJJWGQAYXBFJM-VIFPVBQESA-N 1 0 198.310 1.147 20 0 ADADRO CCC[C@@H](C)[NH2+][C@@H](CC)CO 20195765 537780589 /nfs/dbraw/zinc/78/05/89/537780589.db2.gz ZRIUEIKKLOKFGL-BDAKNGLRSA-N 1 0 159.273 1.536 20 0 ADADRO CC[C@H](C)C[NH2+]CCN1CCCC1 20127058 537780605 /nfs/dbraw/zinc/78/06/05/537780605.db2.gz GMWZQTFJMRVODO-NSHDSACASA-N 1 0 184.327 1.718 20 0 ADADRO CC[C@@H](C)C[NH2+]C1CCC(O)CC1 20089583 537780728 /nfs/dbraw/zinc/78/07/28/537780728.db2.gz SXGBAIRGOJGGGP-KPPDAEKUSA-N 1 0 185.311 1.926 20 0 ADADRO COCCC[NH2+][C@@H](C)C1CC1 20142402 537780758 /nfs/dbraw/zinc/78/07/58/537780758.db2.gz VXBUFMBZIHXDOZ-QMMMGPOBSA-N 1 0 157.257 1.411 20 0 ADADRO CCC[NH2+]Cc1ccc(OC)nc1 20186392 537780793 /nfs/dbraw/zinc/78/07/93/537780793.db2.gz SLLVTDIKAHELDG-UHFFFAOYSA-N 1 0 180.251 1.590 20 0 ADADRO CC[C@H](C)C[NH2+][C@H](C)COC 20087549 537780810 /nfs/dbraw/zinc/78/08/10/537780810.db2.gz UPSFVPSJEHOSKV-DTWKUNHWSA-N 1 0 159.273 1.657 20 0 ADADRO CCC[C@H](C)[NH2+]CCCOC 20142775 537780839 /nfs/dbraw/zinc/78/08/39/537780839.db2.gz SARXSECEDWYELD-VIFPVBQESA-N 1 0 159.273 1.801 20 0 ADADRO C[C@H]([NH2+]CC(C)(C)N(C)C)C1CC1 20125791 537780964 /nfs/dbraw/zinc/78/09/64/537780964.db2.gz PIRXYJIFGFJWFP-VIFPVBQESA-N 1 0 184.327 1.715 20 0 ADADRO CC(C)[C@H](C)[NH2+]CC(C)(C)N(C)C 20125810 537780999 /nfs/dbraw/zinc/78/09/99/537780999.db2.gz SLOYZFHLVQYXAA-JTQLQIEISA-N 1 0 186.343 1.961 20 0 ADADRO CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 20207865 537781013 /nfs/dbraw/zinc/78/10/13/537781013.db2.gz MPVRIKIKVPBPDX-AEJSXWLSSA-N 1 0 171.284 1.942 20 0 ADADRO CC[C@@H](C)C[NH2+]CCOC 20085584 537781020 /nfs/dbraw/zinc/78/10/20/537781020.db2.gz VMYXKYSQCXKMLD-MRVPVSSYSA-N 1 0 145.246 1.269 20 0 ADADRO CC[C@H](C)C[NH2+]CC(C)(C)N(C)C 20125993 537781061 /nfs/dbraw/zinc/78/10/61/537781061.db2.gz BJCORHIFIYEZSG-JTQLQIEISA-N 1 0 186.343 1.962 20 0 ADADRO CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)C1 20194567 537781107 /nfs/dbraw/zinc/78/11/07/537781107.db2.gz MXZORDPWQNRPQA-MXWKQRLJSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](C)[NH2+]Cc1ccc(OC)nc1 20186414 537781114 /nfs/dbraw/zinc/78/11/14/537781114.db2.gz JYARPFGVRSUIST-VIFPVBQESA-N 1 0 194.278 1.978 20 0 ADADRO CC[C@@H](C)C[NH2+]CCN1CCCC1 20127057 537781131 /nfs/dbraw/zinc/78/11/31/537781131.db2.gz GMWZQTFJMRVODO-LLVKDONJSA-N 1 0 184.327 1.718 20 0 ADADRO CC(C)[NH2+]CCCOCC1CC1 20190743 537781330 /nfs/dbraw/zinc/78/13/30/537781330.db2.gz PNBRUNOLVXREHN-UHFFFAOYSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@H](C)C[NH2+][C@H](CC)CO 20196001 537781381 /nfs/dbraw/zinc/78/13/81/537781381.db2.gz KNIBRIKZAFCWAZ-DTWKUNHWSA-N 1 0 159.273 1.393 20 0 ADADRO CC(C)C[C@@H](C[NH2+]C(C)C)N(C)C 20201517 537781399 /nfs/dbraw/zinc/78/13/99/537781399.db2.gz WBIDLFIXZQVXQP-NSHDSACASA-N 1 0 186.343 1.961 20 0 ADADRO CC[C@H](C)C[NH2+][C@@H](CC)CO 20195997 537781420 /nfs/dbraw/zinc/78/14/20/537781420.db2.gz KNIBRIKZAFCWAZ-IUCAKERBSA-N 1 0 159.273 1.393 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 20207858 537781458 /nfs/dbraw/zinc/78/14/58/537781458.db2.gz MPVRIKIKVPBPDX-GUBZILKMSA-N 1 0 171.284 1.942 20 0 ADADRO CC[C@H](C)[NH2+]CCCOC 20142733 537781467 /nfs/dbraw/zinc/78/14/67/537781467.db2.gz UWVROLHUWCJTTA-QMMMGPOBSA-N 1 0 145.246 1.411 20 0 ADADRO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H](C)C1 20194558 537781521 /nfs/dbraw/zinc/78/15/21/537781521.db2.gz MXZORDPWQNRPQA-OUAUKWLOSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@@H]([NH2+]CCCO)c1cccc(O)c1 20188129 537781730 /nfs/dbraw/zinc/78/17/30/537781730.db2.gz SHLBCUHRCMSLSM-SECBINFHSA-N 1 0 195.262 1.425 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H](C)COC 20087547 537781748 /nfs/dbraw/zinc/78/17/48/537781748.db2.gz UPSFVPSJEHOSKV-RKDXNWHRSA-N 1 0 159.273 1.657 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CCOC 20085607 537781795 /nfs/dbraw/zinc/78/17/95/537781795.db2.gz QOVHEVGLZLAXLJ-RKDXNWHRSA-N 1 0 159.273 1.657 20 0 ADADRO CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)C1 20194561 537781846 /nfs/dbraw/zinc/78/18/46/537781846.db2.gz MXZORDPWQNRPQA-GMTAPVOTSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[NH2+][C@@H](C)[C@H]1CCCO1 20207721 537781868 /nfs/dbraw/zinc/78/18/68/537781868.db2.gz VSIRUTMMEHOCNS-DTWKUNHWSA-N 1 0 157.257 1.554 20 0 ADADRO CC[C@@H](C)C[NH2+]CC(C)(C)N(C)C 20125992 537781969 /nfs/dbraw/zinc/78/19/69/537781969.db2.gz BJCORHIFIYEZSG-SNVBAGLBSA-N 1 0 186.343 1.962 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCOC 20085610 537782062 /nfs/dbraw/zinc/78/20/62/537782062.db2.gz QOVHEVGLZLAXLJ-IUCAKERBSA-N 1 0 159.273 1.657 20 0 ADADRO CCC[C@@H](C)[NH2+][C@H](CC)CO 20195769 537782115 /nfs/dbraw/zinc/78/21/15/537782115.db2.gz ZRIUEIKKLOKFGL-RKDXNWHRSA-N 1 0 159.273 1.536 20 0 ADADRO CC[C@@H](C)[NH2+][C@H](CC)CO 20195703 537782153 /nfs/dbraw/zinc/78/21/53/537782153.db2.gz INCLGKJCPYDTIO-HTQZYQBOSA-N 1 0 145.246 1.145 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H](CC)CO 20195999 537782272 /nfs/dbraw/zinc/78/22/72/537782272.db2.gz KNIBRIKZAFCWAZ-RKDXNWHRSA-N 1 0 159.273 1.393 20 0 ADADRO CCC[C@@H](C)[NH2+]CCCOC 20142773 537782303 /nfs/dbraw/zinc/78/23/03/537782303.db2.gz SARXSECEDWYELD-SECBINFHSA-N 1 0 159.273 1.801 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CCN1CCCC1 20126870 537782307 /nfs/dbraw/zinc/78/23/07/537782307.db2.gz XSAFUXXZJWGXJP-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO COc1ccc(C[NH2+]C(C)C)cn1 20186263 537782343 /nfs/dbraw/zinc/78/23/43/537782343.db2.gz JANNTKGEFYODFJ-UHFFFAOYSA-N 1 0 180.251 1.588 20 0 ADADRO CCCC[NH2+]CCCOC 20142706 537782441 /nfs/dbraw/zinc/78/24/41/537782441.db2.gz ZKQQDJQKPWKTHQ-UHFFFAOYSA-N 1 0 145.246 1.413 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)N(C)C 20125809 537782472 /nfs/dbraw/zinc/78/24/72/537782472.db2.gz SLOYZFHLVQYXAA-SNVBAGLBSA-N 1 0 186.343 1.961 20 0 ADADRO CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H](C)C1 20194564 537782574 /nfs/dbraw/zinc/78/25/74/537782574.db2.gz MXZORDPWQNRPQA-VWYCJHECSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[NH2+]CCCOC 20142704 537782625 /nfs/dbraw/zinc/78/26/25/537782625.db2.gz HYUDHAJLXAGAGH-UHFFFAOYSA-N 1 0 131.219 1.023 20 0 ADADRO CCC[C@H](C)[NH2+][C@H](CC)CO 20195771 537782696 /nfs/dbraw/zinc/78/26/96/537782696.db2.gz ZRIUEIKKLOKFGL-DTWKUNHWSA-N 1 0 159.273 1.536 20 0 ADADRO CC(C)C(=O)NCC[NH2+][C@H](C)C1CC1 20125246 537782721 /nfs/dbraw/zinc/78/27/21/537782721.db2.gz FUJJWGQAYXBFJM-SECBINFHSA-N 1 0 198.310 1.147 20 0 ADADRO C[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCCO1 20207555 537782779 /nfs/dbraw/zinc/78/27/79/537782779.db2.gz NTTZFLRRFGHGFS-AXFHLTTASA-N 1 0 199.294 1.180 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](CC)CO 20195701 537782799 /nfs/dbraw/zinc/78/27/99/537782799.db2.gz INCLGKJCPYDTIO-YUMQZZPRSA-N 1 0 145.246 1.145 20 0 ADADRO C[C@@H]([NH2+]CC(C)(C)N(C)C)C1CC1 20125790 537782803 /nfs/dbraw/zinc/78/28/03/537782803.db2.gz PIRXYJIFGFJWFP-SECBINFHSA-N 1 0 184.327 1.715 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]CCOC 20085609 537782870 /nfs/dbraw/zinc/78/28/70/537782870.db2.gz QOVHEVGLZLAXLJ-BDAKNGLRSA-N 1 0 159.273 1.657 20 0 ADADRO C[C@H]([NH2+]CCN1CCCC1)C1CC1 20126852 537782878 /nfs/dbraw/zinc/78/28/78/537782878.db2.gz PXTYYAXSTFAEOO-JTQLQIEISA-N 1 0 182.311 1.470 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCCO1 20207547 537782892 /nfs/dbraw/zinc/78/28/92/537782892.db2.gz NTTZFLRRFGHGFS-DCAQKATOSA-N 1 0 199.294 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CCN(C)C(=O)C[NH2+][C@H](C)C(C)C 37223372 537809757 /nfs/dbraw/zinc/80/97/57/537809757.db2.gz DHMSYSVKXPKFDJ-SECBINFHSA-N 1 0 186.299 1.099 20 0 ADADRO CCCC[C@@H](C)[NH2+]C[C@@H](C)O 37257756 537809815 /nfs/dbraw/zinc/80/98/15/537809815.db2.gz FCGGNMOYFMCNIX-RKDXNWHRSA-N 1 0 159.273 1.536 20 0 ADADRO CCC[C@@H](C)[NH2+]CC(=O)N(C)CC 37223210 537809825 /nfs/dbraw/zinc/80/98/25/537809825.db2.gz AHRFQIIFQWHJPC-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO CCCC[C@H](C)[NH2+][C@H](C)CO 37258454 537809868 /nfs/dbraw/zinc/80/98/68/537809868.db2.gz HGMNTGVJFCZOAW-DTWKUNHWSA-N 1 0 159.273 1.536 20 0 ADADRO CCCC[C@@H](C)[NH2+][C@H](C)C(N)=O 37261386 537809876 /nfs/dbraw/zinc/80/98/76/537809876.db2.gz CIXOOWYPFIKSOX-HTQZYQBOSA-N 1 0 172.272 1.029 20 0 ADADRO CNC(=O)C[NH2+][C@@H](C)C1CCCCC1 37254022 537809943 /nfs/dbraw/zinc/80/99/43/537809943.db2.gz JZABVNNIPFJDPJ-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CCC[C@H](C)[NH2+]CC(=O)N(C)CC 37223211 537810182 /nfs/dbraw/zinc/81/01/82/537810182.db2.gz AHRFQIIFQWHJPC-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO CC[C@@H]([NH2+]CCO)C(C)C 37250527 537810223 /nfs/dbraw/zinc/81/02/23/537810223.db2.gz YVNZTAQXNWSCIY-MRVPVSSYSA-N 1 0 145.246 1.003 20 0 ADADRO CCCC[C@H](C)[NH2+]CCN(C)C 37184077 537810295 /nfs/dbraw/zinc/81/02/95/537810295.db2.gz UBQQHSQOMMIPPG-JTQLQIEISA-N 1 0 172.316 1.716 20 0 ADADRO CCCC[C@H](C)[NH2+]C[C@H](C)O 37257763 537810318 /nfs/dbraw/zinc/81/03/18/537810318.db2.gz FCGGNMOYFMCNIX-IUCAKERBSA-N 1 0 159.273 1.536 20 0 ADADRO CCCC[C@@H](C)[NH2+]CCN(C)C 37184076 537810409 /nfs/dbraw/zinc/81/04/09/537810409.db2.gz UBQQHSQOMMIPPG-SNVBAGLBSA-N 1 0 172.316 1.716 20 0 ADADRO CCCC[C@@H](C)[NH2+]CC(=O)N(C)C 37254280 537810518 /nfs/dbraw/zinc/81/05/18/537810518.db2.gz JKJLXGDOYXQIJT-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO CCCC[C@H](C)[NH2+]CCCO 37236455 537810689 /nfs/dbraw/zinc/81/06/89/537810689.db2.gz RXKXMDGHXNJEGC-VIFPVBQESA-N 1 0 159.273 1.537 20 0 ADADRO CCCC[C@H](C)[NH2+][C@H](C)C(N)=O 37261387 537810775 /nfs/dbraw/zinc/81/07/75/537810775.db2.gz CIXOOWYPFIKSOX-JGVFFNPUSA-N 1 0 172.272 1.029 20 0 ADADRO CCCC[C@@H](C)[NH2+]CCO 37250521 537810854 /nfs/dbraw/zinc/81/08/54/537810854.db2.gz NHIIFTZFLLWIDQ-MRVPVSSYSA-N 1 0 145.246 1.147 20 0 ADADRO CCN(C)C(=O)C[NH2+][C@@H](C)C(C)C 37223371 537810914 /nfs/dbraw/zinc/81/09/14/537810914.db2.gz DHMSYSVKXPKFDJ-VIFPVBQESA-N 1 0 186.299 1.099 20 0 ADADRO C[C@H]([NH2+][C@H](C)C(N)=O)C1CCCCC1 37261394 537810943 /nfs/dbraw/zinc/81/09/43/537810943.db2.gz LQMHKQPOGXSXTN-DTWKUNHWSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@@H]([NH2+]CC(=O)NC1CC1)C(C)C 37262901 537810979 /nfs/dbraw/zinc/81/09/79/537810979.db2.gz CZGCERGRQJAJJO-SNVBAGLBSA-N 1 0 198.310 1.289 20 0 ADADRO CCCC[C@H](C)[NH2+]CCOCCO 37239958 537811178 /nfs/dbraw/zinc/81/11/78/537811178.db2.gz CGNICPKWDWPOBA-JTQLQIEISA-N 1 0 189.299 1.164 20 0 ADADRO CC[C@H]([NH2+]CC(=O)NC1CC1)C(C)C 37262900 537811232 /nfs/dbraw/zinc/81/12/32/537811232.db2.gz CZGCERGRQJAJJO-JTQLQIEISA-N 1 0 198.310 1.289 20 0 ADADRO CCCC[C@@H](C)[NH2+]CCOCCO 37239956 537811452 /nfs/dbraw/zinc/81/14/52/537811452.db2.gz CGNICPKWDWPOBA-SNVBAGLBSA-N 1 0 189.299 1.164 20 0 ADADRO CCCC[C@@H](C)[NH2+]CC(=O)NCC 37262465 537811616 /nfs/dbraw/zinc/81/16/16/537811616.db2.gz NELPZSPTMPUFLV-SECBINFHSA-N 1 0 186.299 1.291 20 0 ADADRO CC[C@@H]([NH2+]CCN(C)C)C(C)C 37184079 537811726 /nfs/dbraw/zinc/81/17/26/537811726.db2.gz CZFXVMJCVRQWJT-SNVBAGLBSA-N 1 0 172.316 1.572 20 0 ADADRO CCCC[C@H](C)[NH2+]C[C@@H](C)O 37257759 537811797 /nfs/dbraw/zinc/81/17/97/537811797.db2.gz FCGGNMOYFMCNIX-DTWKUNHWSA-N 1 0 159.273 1.536 20 0 ADADRO Cc1cccc([C@@H](C)[NH2+]CCO)c1 37250541 537811808 /nfs/dbraw/zinc/81/18/08/537811808.db2.gz LTASCPXWHCNQSY-SNVBAGLBSA-N 1 0 179.263 1.638 20 0 ADADRO CCCC[C@@H](C)[NH2+]CCCO 37236453 537811993 /nfs/dbraw/zinc/81/19/93/537811993.db2.gz RXKXMDGHXNJEGC-SECBINFHSA-N 1 0 159.273 1.537 20 0 ADADRO C[C@H]([NH2+][C@H](C)C1CCCCC1)C(N)=O 37261393 537812111 /nfs/dbraw/zinc/81/21/11/537812111.db2.gz LQMHKQPOGXSXTN-BDAKNGLRSA-N 1 0 198.310 1.419 20 0 ADADRO CCCC[C@H](C)[NH2+][C@@H](C)CO 37258450 537812226 /nfs/dbraw/zinc/81/22/26/537812226.db2.gz HGMNTGVJFCZOAW-IUCAKERBSA-N 1 0 159.273 1.536 20 0 ADADRO C/C=C(\C)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 685939237 537812441 /nfs/dbraw/zinc/81/24/41/537812441.db2.gz GOKOKTSYBCATST-PIOFTHJTSA-N 1 0 196.294 1.148 20 0 ADADRO CC[C@@H]([NH2+]CCCO)C(C)C 37236459 537812512 /nfs/dbraw/zinc/81/25/12/537812512.db2.gz XXIVEJLDOGNHNA-SECBINFHSA-N 1 0 159.273 1.393 20 0 ADADRO CCCC[C@@H](C)[NH2+]C[C@H](C)O 37257760 537812521 /nfs/dbraw/zinc/81/25/21/537812521.db2.gz FCGGNMOYFMCNIX-BDAKNGLRSA-N 1 0 159.273 1.536 20 0 ADADRO CCCC[C@H](C)[NH2+]CCO 37250523 537812583 /nfs/dbraw/zinc/81/25/83/537812583.db2.gz NHIIFTZFLLWIDQ-QMMMGPOBSA-N 1 0 145.246 1.147 20 0 ADADRO CC[C@H]([NH2+]CCO)C(C)C 37250525 537812629 /nfs/dbraw/zinc/81/26/29/537812629.db2.gz YVNZTAQXNWSCIY-QMMMGPOBSA-N 1 0 145.246 1.003 20 0 ADADRO CNC(=O)C[NH2+][C@H](C)C1CCCCC1 37254025 537812653 /nfs/dbraw/zinc/81/26/53/537812653.db2.gz JZABVNNIPFJDPJ-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO CCCC[C@H](C)[NH2+]CC(=O)N(C)C 37254282 537812827 /nfs/dbraw/zinc/81/28/27/537812827.db2.gz JKJLXGDOYXQIJT-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO C[C@]12C[NH2+]C[C@H]1[C@H]1CC[C@@H]2C1 685945631 537813057 /nfs/dbraw/zinc/81/30/57/537813057.db2.gz VUPZBVMJJYOSPA-QCLAVDOMSA-N 1 0 151.253 1.642 20 0 ADADRO CC[C@H](C)N(C)CC[NH2+]CC1CC1 37478571 537813501 /nfs/dbraw/zinc/81/35/01/537813501.db2.gz IERZBJKDYUBGQU-JTQLQIEISA-N 1 0 184.327 1.716 20 0 ADADRO CC(C)[NH2+]CC(=O)N1CCC[C@H](C)C1 37394690 537813821 /nfs/dbraw/zinc/81/38/21/537813821.db2.gz YZPSMCMVONTFBR-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@@H](C)[NH2+]CCN(CC)C1CC1 37479929 537814137 /nfs/dbraw/zinc/81/41/37/537814137.db2.gz KIYDNEIAKSWTQL-SNVBAGLBSA-N 1 0 184.327 1.859 20 0 ADADRO CC(C)[NH2+]CCC(=O)NC(C)(C)C 37480035 537814286 /nfs/dbraw/zinc/81/42/86/537814286.db2.gz JVWHUTKKCWRPGN-UHFFFAOYSA-N 1 0 186.299 1.289 20 0 ADADRO CC[C@H](C)[NH2+]CCN(C)C(C)C 37479896 537814359 /nfs/dbraw/zinc/81/43/59/537814359.db2.gz ZJXNJWYHJXOOPL-JTQLQIEISA-N 1 0 172.316 1.715 20 0 ADADRO CC1CCN(CC[NH2+]CC2CC2)CC1 37478466 537814512 /nfs/dbraw/zinc/81/45/12/537814512.db2.gz GGUNEJSAYVFVRF-UHFFFAOYSA-N 1 0 196.338 1.718 20 0 ADADRO CC(C)[NH2+]CC(=O)N1CCCC[C@H]1C 37394701 537814581 /nfs/dbraw/zinc/81/45/81/537814581.db2.gz YTUXWCBVBKZAKU-SNVBAGLBSA-N 1 0 198.310 1.385 20 0 ADADRO Cc1noc(CCC[NH2+]C(C)C)n1 37475112 537814676 /nfs/dbraw/zinc/81/46/76/537814676.db2.gz VFWOVEUVLMTZJR-UHFFFAOYSA-N 1 0 183.255 1.309 20 0 ADADRO CC(C)N(C)CC[NH2+]CC1CC1 37478506 537814692 /nfs/dbraw/zinc/81/46/92/537814692.db2.gz NRPNOHFELOYPNA-UHFFFAOYSA-N 1 0 170.300 1.326 20 0 ADADRO CCCCN(C)C(=O)C[NH2+]C(C)C 37394726 537814764 /nfs/dbraw/zinc/81/47/64/537814764.db2.gz YAWVDVLOKWBSQU-UHFFFAOYSA-N 1 0 186.299 1.243 20 0 ADADRO CCN(CC[NH2+]CC1CC1)C1CC1 37478547 537814867 /nfs/dbraw/zinc/81/48/67/537814867.db2.gz SQDPNGXQYFUABS-UHFFFAOYSA-N 1 0 182.311 1.470 20 0 ADADRO CC[C@H](C)N(C)CC[NH2+]C(C)C 37477293 537814934 /nfs/dbraw/zinc/81/49/34/537814934.db2.gz NYAIHHYAZSSBDR-JTQLQIEISA-N 1 0 172.316 1.715 20 0 ADADRO CC[C@H](C)[NH2+]Cc1nnc2n1CCC2 37475047 537814954 /nfs/dbraw/zinc/81/49/54/537814954.db2.gz YWEAKWSKXSXZFB-QMMMGPOBSA-N 1 0 194.282 1.112 20 0 ADADRO CCCN(CC)CC[NH2+]CC1CC1 37478559 537816240 /nfs/dbraw/zinc/81/62/40/537816240.db2.gz CBURLVDZQLNTPP-UHFFFAOYSA-N 1 0 184.327 1.718 20 0 ADADRO CCCCCNC(=O)C[NH2+]C(C)C 37394768 537816294 /nfs/dbraw/zinc/81/62/94/537816294.db2.gz XEKNLYXHOOJRSY-UHFFFAOYSA-N 1 0 186.299 1.291 20 0 ADADRO CC(C)[NH2+]CCN(C)C1CCCC1 37477285 537816545 /nfs/dbraw/zinc/81/65/45/537816545.db2.gz LMPRHEQLXVWPSS-UHFFFAOYSA-N 1 0 184.327 1.859 20 0 ADADRO CC[C@H](C)[NH2+]CCN(CC)C1CC1 37479930 537816793 /nfs/dbraw/zinc/81/67/93/537816793.db2.gz KIYDNEIAKSWTQL-JTQLQIEISA-N 1 0 184.327 1.859 20 0 ADADRO CC(C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 37394689 537817090 /nfs/dbraw/zinc/81/70/90/537817090.db2.gz YZPSMCMVONTFBR-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CN(CC[NH3+])CCCc1ccccc1 37267962 537817241 /nfs/dbraw/zinc/81/72/41/537817241.db2.gz MVJJQXOQJKAJDN-UHFFFAOYSA-N 1 0 192.306 1.510 20 0 ADADRO CCCCN(C)CC[NH2+]CC1CC1 37478500 537817272 /nfs/dbraw/zinc/81/72/72/537817272.db2.gz TVXMHXQGZFXBCL-UHFFFAOYSA-N 1 0 184.327 1.718 20 0 ADADRO CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1C 37394702 537817942 /nfs/dbraw/zinc/81/79/42/537817942.db2.gz YTUXWCBVBKZAKU-JTQLQIEISA-N 1 0 198.310 1.385 20 0 ADADRO CC[C@@H](C)N(C)CC[NH2+]C(C)C 37477292 537817994 /nfs/dbraw/zinc/81/79/94/537817994.db2.gz NYAIHHYAZSSBDR-SNVBAGLBSA-N 1 0 172.316 1.715 20 0 ADADRO CCC[NH2+][C@@H](C)c1cnccn1 37469142 537818206 /nfs/dbraw/zinc/81/82/06/537818206.db2.gz BBIGBBYLYXFAEV-QMMMGPOBSA-N 1 0 165.240 1.537 20 0 ADADRO CCn1cc(C[NH2+]C(C)(C)CC)nn1 685946878 537818226 /nfs/dbraw/zinc/81/82/26/537818226.db2.gz DUNRIKGYAPOWMF-UHFFFAOYSA-N 1 0 196.298 1.576 20 0 ADADRO CC[C@@H](C)[NH2+]CCN(C)C(C)C 37479895 537818320 /nfs/dbraw/zinc/81/83/20/537818320.db2.gz ZJXNJWYHJXOOPL-SNVBAGLBSA-N 1 0 172.316 1.715 20 0 ADADRO CC[C@@H](C)[NH2+]Cc1nnc2n1CCC2 37475046 537818682 /nfs/dbraw/zinc/81/86/82/537818682.db2.gz YWEAKWSKXSXZFB-MRVPVSSYSA-N 1 0 194.282 1.112 20 0 ADADRO CN(CC[NH2+]CC1CC1)C1CCCC1 37478557 537818728 /nfs/dbraw/zinc/81/87/28/537818728.db2.gz DMZZCKHFZZPKTA-UHFFFAOYSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@@H]([NH2+]CCC1CCCCC1)C(N)=O 37741874 537819142 /nfs/dbraw/zinc/81/91/42/537819142.db2.gz IEQPZWPQLSDYDZ-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H](O)C[NH2+][C@H](C)c1ccncc1 37688778 537819000 /nfs/dbraw/zinc/81/90/00/537819000.db2.gz QHCMDQAOHGWLBQ-KOLCDFICSA-N 1 0 194.278 1.503 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C 37687823 537819037 /nfs/dbraw/zinc/81/90/37/537819037.db2.gz XYXPAQNIKOQIAL-DBIOUOCHSA-N 1 0 185.311 1.782 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H](C)c1cccnc1 37688772 537819054 /nfs/dbraw/zinc/81/90/54/537819054.db2.gz XMKNWCMTZSEXDB-ONGXEEELSA-N 1 0 194.278 1.503 20 0 ADADRO CNC(=O)[C@@H](C[NH3+])C1CCCCCC1 685947435 537819162 /nfs/dbraw/zinc/81/91/62/537819162.db2.gz VLWZNBGMGQGXNE-JTQLQIEISA-N 1 0 198.310 1.278 20 0 ADADRO CNC(=O)[C@H](C[NH3+])C1CCCCCC1 685947436 537819169 /nfs/dbraw/zinc/81/91/69/537819169.db2.gz VLWZNBGMGQGXNE-SNVBAGLBSA-N 1 0 198.310 1.278 20 0 ADADRO CC[C@@H](O)C[N@H+](C)[C@H](C)CC 37693902 537819310 /nfs/dbraw/zinc/81/93/10/537819310.db2.gz YDFKPXVDHYNRGT-RKDXNWHRSA-N 1 0 159.273 1.488 20 0 ADADRO CC[C@H](O)C[NH2+][C@H](C)c1ccco1 37688800 537819334 /nfs/dbraw/zinc/81/93/34/537819334.db2.gz VNWNRXGCKBNWOF-BDAKNGLRSA-N 1 0 183.251 1.701 20 0 ADADRO CC[C@H](C)[N@H+](CC)CC(C)(C)O 37693822 537819352 /nfs/dbraw/zinc/81/93/52/537819352.db2.gz XFFFQNSYJASCLQ-VIFPVBQESA-N 1 0 173.300 1.878 20 0 ADADRO CCC[NH2+]C1CCN(C(=O)CC)CC1 37653806 537819387 /nfs/dbraw/zinc/81/93/87/537819387.db2.gz LVFOZRLRYCTLHZ-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO CC[C@H](O)C[N@H+](C)Cc1cccnc1 37694026 537819562 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537826657 /nfs/dbraw/zinc/82/66/57/537826657.db2.gz CKIUBWLGAUBOPB-DTWKUNHWSA-N 1 0 196.298 1.339 20 0 ADADRO CC[C@@H]1CCCN1C(=O)C[NH2+]C(C)C 37915041 537826668 /nfs/dbraw/zinc/82/66/68/537826668.db2.gz WLNKERXGCMEFRT-SNVBAGLBSA-N 1 0 198.310 1.385 20 0 ADADRO C[C@@H](NC[C@@H](C)[NH+](C)C)c1ccco1 38088494 537826704 /nfs/dbraw/zinc/82/67/04/537826704.db2.gz WJBBPLWMXFMRSD-NXEZZACHSA-N 1 0 196.294 1.880 20 0 ADADRO Cc1c(C[NH2+]CC2CC2)cnn1C 37927779 537826726 /nfs/dbraw/zinc/82/67/26/537826726.db2.gz FKBYBCQTDDZOKP-UHFFFAOYSA-N 1 0 179.267 1.228 20 0 ADADRO CCC(CC)C[NH2+]C[C@@H](C)N(C)C 38088720 537826750 /nfs/dbraw/zinc/82/67/50/537826750.db2.gz OYOLFAGMCUWMHB-SNVBAGLBSA-N 1 0 186.343 1.962 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@@H](C)N(C)C 38088540 537826779 /nfs/dbraw/zinc/82/67/79/537826779.db2.gz CWXWBMBLDHHPNU-ZJUUUORDSA-N 1 0 172.316 1.571 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nncn1C 38007667 537826839 /nfs/dbraw/zinc/82/68/39/537826839.db2.gz CKIUBWLGAUBOPB-BDAKNGLRSA-N 1 0 196.298 1.339 20 0 ADADRO C[C@H](C[NH2+]Cc1ccncc1)N(C)C 38088713 537826866 /nfs/dbraw/zinc/82/68/66/537826866.db2.gz PZFBFCKMQDRXDY-SNVBAGLBSA-N 1 0 193.294 1.121 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 38034311 537826906 /nfs/dbraw/zinc/82/69/06/537826906.db2.gz SQXGBXPJDTXZCF-YUMQZZPRSA-N 1 0 197.282 1.902 20 0 ADADRO CC[C@H](C)[NH2+]C[C@H](C)N(C)C 38088394 537826965 /nfs/dbraw/zinc/82/69/65/537826965.db2.gz VFYCMRFRHADHFZ-IUCAKERBSA-N 1 0 158.289 1.325 20 0 ADADRO C[C@H](C[NH2+]C[C@H]1CC=CCC1)N(C)C 38088058 537827147 /nfs/dbraw/zinc/82/71/47/537827147.db2.gz AUURJQLDXNMYGS-NEPJUHHUSA-N 1 0 196.338 1.882 20 0 ADADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)N(C)C 38088539 537827366 /nfs/dbraw/zinc/82/73/66/537827366.db2.gz CWXWBMBLDHHPNU-NXEZZACHSA-N 1 0 172.316 1.571 20 0 ADADRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)C(C)C 38087648 537827422 /nfs/dbraw/zinc/82/74/22/537827422.db2.gz XNUCSWNDFYTNSM-GHMZBOCLSA-N 1 0 186.343 1.961 20 0 ADADRO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)N(C)C 38088060 537827461 /nfs/dbraw/zinc/82/74/61/537827461.db2.gz AUURJQLDXNMYGS-VXGBXAGGSA-N 1 0 196.338 1.882 20 0 ADADRO C[C@H]([NH2+]C[C@@H](C)N(C)C)C1CC1 38088488 537827552 /nfs/dbraw/zinc/82/75/52/537827552.db2.gz JULXGMZPTXKQKB-BDAKNGLRSA-N 1 0 170.300 1.325 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@@H](C)N(C)C 38088158 537827701 /nfs/dbraw/zinc/82/77/01/537827701.db2.gz PBEKXOYZQAWYHK-VHSXEESVSA-N 1 0 172.316 1.572 20 0 ADADRO C[C@@H](CN[C@H](C)c1ccco1)[NH+](C)C 38088493 537827810 /nfs/dbraw/zinc/82/78/10/537827810.db2.gz WJBBPLWMXFMRSD-VHSXEESVSA-N 1 0 196.294 1.880 20 0 ADADRO CC(C)[NH2+]CCC(=O)N1CCC[C@@H]1C 37912086 537827841 /nfs/dbraw/zinc/82/78/41/537827841.db2.gz PEMPFROXBSWIMM-JTQLQIEISA-N 1 0 198.310 1.385 20 0 ADADRO CCC[NH2+][C@H](CO)C1CCCCC1 38123337 537828496 /nfs/dbraw/zinc/82/84/96/537828496.db2.gz JGNXCOOQXHPZSR-LLVKDONJSA-N 1 0 185.311 1.927 20 0 ADADRO CC(C)[NH2+][C@@H](CO)c1ccc(F)cc1 38115755 537828603 /nfs/dbraw/zinc/82/86/03/537828603.db2.gz NRNMRWKHSKNPQH-NSHDSACASA-N 1 0 197.253 1.857 20 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ILZXVXBLRDEAMN-BDAKNGLRSA-N 1 0 188.340 1.032 20 0 ADADRO CC[C@](C)(CO)[NH2+]C(C)C 38115438 537829311 /nfs/dbraw/zinc/82/93/11/537829311.db2.gz XOPAHORJDJIKFF-MRVPVSSYSA-N 1 0 145.246 1.145 20 0 ADADRO CC(C)CCC[NH2+]CC(=O)N(C)C 38093969 537829429 /nfs/dbraw/zinc/82/94/29/537829429.db2.gz NXUZNEJHVFPQNQ-UHFFFAOYSA-N 1 0 186.299 1.100 20 0 ADADRO CC[C@@](C)(CO)[NH2+]CC1CC1 38124765 537829592 /nfs/dbraw/zinc/82/95/92/537829592.db2.gz MCTAHASPWXWOPC-VIFPVBQESA-N 1 0 157.257 1.147 20 0 ADADRO OC[C@@H]([NH2+]CC1CC1)C1CCCCC1 38125018 537829629 /nfs/dbraw/zinc/82/96/29/537829629.db2.gz JTTVSKPAODKGBG-GFCCVEGCSA-N 1 0 197.322 1.927 20 0 ADADRO CCC[NH2+][C@@H](CO)C1CCCCC1 38123336 537829812 /nfs/dbraw/zinc/82/98/12/537829812.db2.gz JGNXCOOQXHPZSR-NSHDSACASA-N 1 0 185.311 1.927 20 0 ADADRO CC(C)[NH2+][C@H](CO)c1ccc(F)cc1 38115756 537829825 /nfs/dbraw/zinc/82/98/25/537829825.db2.gz NRNMRWKHSKNPQH-LLVKDONJSA-N 1 0 197.253 1.857 20 0 ADADRO OCC1([NH2+]C[C@H]2CCCO2)CCCC1 38114509 537829975 /nfs/dbraw/zinc/82/99/75/537829975.db2.gz JIVBXSASGRXASE-SNVBAGLBSA-N 1 0 199.294 1.060 20 0 ADADRO CC[C@@](C)(CO)[NH2+]CC(C)C 38121870 537830012 /nfs/dbraw/zinc/83/00/12/537830012.db2.gz DDEXZZCMJSNKLL-VIFPVBQESA-N 1 0 159.273 1.393 20 0 ADADRO OCC1([NH2+]CC2CC2)CCCCC1 38124951 537830072 /nfs/dbraw/zinc/83/00/72/537830072.db2.gz SWRQHLSAIHCBFE-UHFFFAOYSA-N 1 0 183.295 1.681 20 0 ADADRO C[C@H](CNc1ccccn1)[NH+](C)C 38089183 537830176 /nfs/dbraw/zinc/83/01/76/537830176.db2.gz JIDQEVMCOQIVFX-SECBINFHSA-N 1 0 179.267 1.444 20 0 ADADRO CC(C)[NH2+][C@@H](CO)C1CCCCC1 38115695 537830304 /nfs/dbraw/zinc/83/03/04/537830304.db2.gz KUEOUXLGERYESD-NSHDSACASA-N 1 0 185.311 1.926 20 0 ADADRO CCC[NH2+][C@@H](CO)c1cccc(F)c1 38123316 537830401 /nfs/dbraw/zinc/83/04/01/537830401.db2.gz CMRRPALGCWOCCZ-NSHDSACASA-N 1 0 197.253 1.859 20 0 ADADRO CCC[C@@](C)(CO)[NH2+]CC1CC1 38124761 537830507 /nfs/dbraw/zinc/83/05/07/537830507.db2.gz QENWPBVTIWSESG-JTQLQIEISA-N 1 0 171.284 1.537 20 0 ADADRO C[C@H](C[NH2+][C@@H]1CCSC1)N(C)C 38088999 537830576 /nfs/dbraw/zinc/83/05/76/537830576.db2.gz ILZXVXBLRDEAMN-RKDXNWHRSA-N 1 0 188.340 1.032 20 0 ADADRO OC[C@H]([NH2+]CC1CC1)C1CCCCC1 38125019 537830728 /nfs/dbraw/zinc/83/07/28/537830728.db2.gz JTTVSKPAODKGBG-LBPRGKRZSA-N 1 0 197.322 1.927 20 0 ADADRO Nc1c2c(nc3ccccc13)CC[NH2+]C2 38974121 537830809 /nfs/dbraw/zinc/83/08/09/537830809.db2.gz RSPNTMZVBGWPLC-UHFFFAOYSA-N 1 0 199.257 1.463 20 0 ADADRO CC(C)[NH2+][C@H](CO)c1cccc(F)c1 38115676 537830850 /nfs/dbraw/zinc/83/08/50/537830850.db2.gz IOUFWEUXJHMJOH-LLVKDONJSA-N 1 0 197.253 1.857 20 0 ADADRO CCC[NH2+][C@@H](CO)c1ccc(F)cc1 38123398 537830921 /nfs/dbraw/zinc/83/09/21/537830921.db2.gz QFZFSDYAWIWVIW-NSHDSACASA-N 1 0 197.253 1.859 20 0 ADADRO CC[NH2+][C@@H](CO)c1ccccc1C 38120358 537831033 /nfs/dbraw/zinc/83/10/33/537831033.db2.gz DBDZOWHPEVZBFE-NSHDSACASA-N 1 0 179.263 1.638 20 0 ADADRO CCC[NH2+][C@H](CO)c1ccc(F)cc1 38123399 537831159 /nfs/dbraw/zinc/83/11/59/537831159.db2.gz QFZFSDYAWIWVIW-LLVKDONJSA-N 1 0 197.253 1.859 20 0 ADADRO CCC[NH2+][C@H](CO)c1cccc(F)c1 38123317 537831253 /nfs/dbraw/zinc/83/12/53/537831253.db2.gz CMRRPALGCWOCCZ-LLVKDONJSA-N 1 0 197.253 1.859 20 0 ADADRO CC[C@](C)(CO)[NH2+]CC1CC1 38124766 537831285 /nfs/dbraw/zinc/83/12/85/537831285.db2.gz MCTAHASPWXWOPC-SECBINFHSA-N 1 0 157.257 1.147 20 0 ADADRO CC(C)C[NH2+]C1(CO)CCCCC1 38122056 537831382 /nfs/dbraw/zinc/83/13/82/537831382.db2.gz WCDAHZPTMMJMPB-UHFFFAOYSA-N 1 0 185.311 1.927 20 0 ADADRO CC(C)[NH2+][C@@H](CO)c1cccc(F)c1 38115675 537831390 /nfs/dbraw/zinc/83/13/90/537831390.db2.gz IOUFWEUXJHMJOH-NSHDSACASA-N 1 0 197.253 1.857 20 0 ADADRO CCC[N@H+](CC)[C@H](C)CO 39079457 537831641 /nfs/dbraw/zinc/83/16/41/537831641.db2.gz WYQZLCWKMRKNIL-MRVPVSSYSA-N 1 0 145.246 1.099 20 0 ADADRO CC[NH2+][C@H](CO)C1CCCCC1 38120309 537831873 /nfs/dbraw/zinc/83/18/73/537831873.db2.gz KHYCZPLFCXAFCF-SNVBAGLBSA-N 1 0 171.284 1.537 20 0 ADADRO CC[C@@](C)(CO)[NH2+]C1CCCC1 38122636 537831879 /nfs/dbraw/zinc/83/18/79/537831879.db2.gz MOSYQNUKPKQOHD-JTQLQIEISA-N 1 0 171.284 1.680 20 0 ADADRO CCC[N@H+](CC)[C@@H](C)CO 39079455 537831954 /nfs/dbraw/zinc/83/19/54/537831954.db2.gz WYQZLCWKMRKNIL-QMMMGPOBSA-N 1 0 145.246 1.099 20 0 ADADRO CCC(CC)[NH2+]CCn1cccn1 40543427 537832742 /nfs/dbraw/zinc/83/27/42/537832742.db2.gz LFMACVOVQLOLLZ-UHFFFAOYSA-N 1 0 181.283 1.661 20 0 ADADRO CCC[NH2+][C@@H](C)c1c[nH]nc1C 40932771 537833607 /nfs/dbraw/zinc/83/36/07/537833607.db2.gz SCJDLJXKFPGFRJ-ZETCQYMHSA-N 1 0 167.256 1.779 20 0 ADADRO CC[C@H](C)[NH2+]CCN1CC[C@H](C)C1 40725343 537833855 /nfs/dbraw/zinc/83/38/55/537833855.db2.gz ZEKUONOPYDWICQ-QWRGUYRKSA-N 1 0 184.327 1.716 20 0 ADADRO C[C@@H](c1ccccc1)N(C)CC[NH3+] 39318898 537834143 /nfs/dbraw/zinc/83/41/43/537834143.db2.gz BCHZKTHEJAJBEW-JTQLQIEISA-N 1 0 178.279 1.638 20 0 ADADRO C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 40456455 537834761 /nfs/dbraw/zinc/83/47/61/537834761.db2.gz RLHYPWJBPDJDNV-QCLAVDOMSA-N 1 0 198.310 1.275 20 0 ADADRO CC(C)[NH2+]CCC(=O)N1CC[C@@H](C)C1 40724785 537834781 /nfs/dbraw/zinc/83/47/81/537834781.db2.gz JSSAWVWTWYISIV-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCc1cc(NCC[NH+](C)C)ncn1 40765003 537834896 /nfs/dbraw/zinc/83/48/96/537834896.db2.gz YRRLSLYWACCGSV-UHFFFAOYSA-N 1 0 194.282 1.013 20 0 ADADRO CC(C)C[NH2+]CCN1CCC(C)CC1 40771155 537835162 /nfs/dbraw/zinc/83/51/62/537835162.db2.gz QYBGQOQHDZLDIO-UHFFFAOYSA-N 1 0 198.354 1.964 20 0 ADADRO C[C@H](c1ccccc1)N(C)CC[NH3+] 39318899 537835980 /nfs/dbraw/zinc/83/59/80/537835980.db2.gz BCHZKTHEJAJBEW-SNVBAGLBSA-N 1 0 178.279 1.638 20 0 ADADRO CC[C@@H](C)[NH2+]CCn1cccn1 40543421 537836076 /nfs/dbraw/zinc/83/60/76/537836076.db2.gz WBCGNSAFURVHMJ-SECBINFHSA-N 1 0 167.256 1.271 20 0 ADADRO CCC[NH+](CCC)CC(=O)NC1CC1 39975170 537836129 /nfs/dbraw/zinc/83/61/29/537836129.db2.gz XBHYARUWYBHKGN-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO CC[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 40725341 537836339 /nfs/dbraw/zinc/83/63/39/537836339.db2.gz ZEKUONOPYDWICQ-WDEREUQCSA-N 1 0 184.327 1.716 20 0 ADADRO CC(C)[NH2+]CCC(=O)N1CC[C@H](C)C1 40724787 537836710 /nfs/dbraw/zinc/83/67/10/537836710.db2.gz JSSAWVWTWYISIV-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@H](C)[NH2+]CCn1cccn1 40543424 537836756 /nfs/dbraw/zinc/83/67/56/537836756.db2.gz WBCGNSAFURVHMJ-VIFPVBQESA-N 1 0 167.256 1.271 20 0 ADADRO CCCC[NH+]1CCN(CC)CC1 39113755 537836766 /nfs/dbraw/zinc/83/67/66/537836766.db2.gz ANOSFGTVKYVBCM-UHFFFAOYSA-N 1 0 170.300 1.424 20 0 ADADRO CC[C@H](CO)[NH2+]Cc1cscn1 40420114 537838227 /nfs/dbraw/zinc/83/82/27/537838227.db2.gz SYGATTHCYONXCQ-SSDOTTSWSA-N 1 0 186.280 1.004 20 0 ADADRO CC(C)CCC[NH2+]CCOCCO 40228998 537838464 /nfs/dbraw/zinc/83/84/64/537838464.db2.gz KSWYXJUFGGABLC-UHFFFAOYSA-N 1 0 189.299 1.021 20 0 ADADRO CC[C@@H](CO)[NH2+]Cc1cscn1 40420113 537838499 /nfs/dbraw/zinc/83/84/99/537838499.db2.gz SYGATTHCYONXCQ-ZETCQYMHSA-N 1 0 186.280 1.004 20 0 ADADRO CCc1nccn1CC[NH+](C)C 41392099 537838713 /nfs/dbraw/zinc/83/87/13/537838713.db2.gz JACNIJAOXYPFPW-UHFFFAOYSA-N 1 0 167.256 1.007 20 0 ADADRO CC(C)OCC[NH2+]Cc1ccccn1 42222001 537838818 /nfs/dbraw/zinc/83/88/18/537838818.db2.gz NXEWBBWBZPLXAT-UHFFFAOYSA-N 1 0 194.278 1.596 20 0 ADADRO CC1CCC([N@H+](C)CCCO)CC1 42213773 537838907 /nfs/dbraw/zinc/83/89/07/537838907.db2.gz QJHOVFGXMJXNEL-UHFFFAOYSA-N 1 0 185.311 1.879 20 0 ADADRO CC(C)OCC[NH2+]Cc1ccco1 42221657 537839161 /nfs/dbraw/zinc/83/91/61/537839161.db2.gz ZOYOOLCSNFAKQI-UHFFFAOYSA-N 1 0 183.251 1.794 20 0 ADADRO CCOCC[NH+]1CCC(C)CC1 41362352 537839547 /nfs/dbraw/zinc/83/95/47/537839547.db2.gz VICDNVCPIOHLFC-UHFFFAOYSA-N 1 0 171.284 1.755 20 0 ADADRO CCC[N@H+](CCCO)CC1CC1 42223092 537839935 /nfs/dbraw/zinc/83/99/35/537839935.db2.gz MCIHOQYJIFGNMC-UHFFFAOYSA-N 1 0 171.284 1.491 20 0 ADADRO C[N@H+](CCO)CC1CCCCC1 42221847 537840002 /nfs/dbraw/zinc/84/00/02/537840002.db2.gz CSTQPGSIFQCSDG-UHFFFAOYSA-N 1 0 171.284 1.491 20 0 ADADRO C[N@H+](CCCO)Cc1ccccc1F 42213346 537840039 /nfs/dbraw/zinc/84/00/39/537840039.db2.gz NMVCKLWLJLJSGJ-UHFFFAOYSA-N 1 0 197.253 1.640 20 0 ADADRO CCOCC[N@@H+]1CCCC[C@H]1C 41362443 537840163 /nfs/dbraw/zinc/84/01/63/537840163.db2.gz XOVSJYSOASQQIE-SNVBAGLBSA-N 1 0 171.284 1.897 20 0 ADADRO CC(C)C[NH2+]Cc1ccon1 41670963 537840212 /nfs/dbraw/zinc/84/02/12/537840212.db2.gz RAUKTXIYUNQPES-UHFFFAOYSA-N 1 0 154.213 1.420 20 0 ADADRO C[C@H]([NH2+]CCn1ccnc1)C1CC1 41042086 537840242 /nfs/dbraw/zinc/84/02/42/537840242.db2.gz GISRLFRIBQVFJK-VIFPVBQESA-N 1 0 179.267 1.271 20 0 ADADRO CC[C@@H](C)[NH2+]CCOC(C)C 42221586 537840266 /nfs/dbraw/zinc/84/02/66/537840266.db2.gz JHANLQBOYHYOQZ-SECBINFHSA-N 1 0 159.273 1.800 20 0 ADADRO CC[C@H](C)C[NH2+]CCn1ccnc1 41050949 537840448 /nfs/dbraw/zinc/84/04/48/537840448.db2.gz NEFBBOOGWSLFMH-JTQLQIEISA-N 1 0 181.283 1.519 20 0 ADADRO CC[C@@H](C)C[NH2+]CCn1ccnc1 41050948 537840435 /nfs/dbraw/zinc/84/04/35/537840435.db2.gz NEFBBOOGWSLFMH-SNVBAGLBSA-N 1 0 181.283 1.519 20 0 ADADRO CCOCC[NH+]1CCCCCC1 41363141 537840516 /nfs/dbraw/zinc/84/05/16/537840516.db2.gz JLMKIFKHBGWFNV-UHFFFAOYSA-N 1 0 171.284 1.899 20 0 ADADRO OCC[NH2+][C@H](c1ccccc1)C1CC1 41045550 537840522 /nfs/dbraw/zinc/84/05/22/537840522.db2.gz DBZUWXNKSIWAPU-GFCCVEGCSA-N 1 0 191.274 1.720 20 0 ADADRO CC(C)OCC[NH2+]Cc1cccnc1 42222017 537840542 /nfs/dbraw/zinc/84/05/42/537840542.db2.gz RFFDXTWLPPMWHI-UHFFFAOYSA-N 1 0 194.278 1.596 20 0 ADADRO CCc1ccc([C@H](C)[NH2+]CCO)s1 41062270 537840554 /nfs/dbraw/zinc/84/05/54/537840554.db2.gz YYGIZOXESYURHT-QMMMGPOBSA-N 1 0 199.319 1.953 20 0 ADADRO OCC[NH2+][C@@H](c1cccs1)C1CC1 42329384 537840613 /nfs/dbraw/zinc/84/06/13/537840613.db2.gz QIKHAWPHEQOEOX-SNVBAGLBSA-N 1 0 197.303 1.781 20 0 ADADRO CC[C@H](C)C[NH2+]Cc1cc[nH]n1 41014717 537840961 /nfs/dbraw/zinc/84/09/61/537840961.db2.gz SWBCZLOWOQTYPD-QMMMGPOBSA-N 1 0 167.256 1.545 20 0 ADADRO CC(C)[C@@H](CO)[NH2+]CC1CC1 41049679 537841030 /nfs/dbraw/zinc/84/10/30/537841030.db2.gz OCHFNXJCQRJKDR-SECBINFHSA-N 1 0 157.257 1.003 20 0 ADADRO CC[C@@H](C)C[NH2+]Cc1cc[nH]n1 41014714 537841165 /nfs/dbraw/zinc/84/11/65/537841165.db2.gz SWBCZLOWOQTYPD-MRVPVSSYSA-N 1 0 167.256 1.545 20 0 ADADRO CC[C@H](C)[NH2+]Cc1ccon1 41671005 537841307 /nfs/dbraw/zinc/84/13/07/537841307.db2.gz KLGNGCVLDPVNKO-ZETCQYMHSA-N 1 0 154.213 1.563 20 0 ADADRO CC[C@@H]([NH2+]CCn1ccnc1)C(C)C 41050966 537841464 /nfs/dbraw/zinc/84/14/64/537841464.db2.gz SLNNLBIKJJLGJL-LLVKDONJSA-N 1 0 195.310 1.907 20 0 ADADRO CC(C)OCC[NH2+]Cc1ccncc1 42222009 537841509 /nfs/dbraw/zinc/84/15/09/537841509.db2.gz LOZOVXMERGPOSE-UHFFFAOYSA-N 1 0 194.278 1.596 20 0 ADADRO CCOCC[N@@H+]1CCC[C@H](C)C1 41362647 537841537 /nfs/dbraw/zinc/84/15/37/537841537.db2.gz RIFOBNVDWUHWRM-JTQLQIEISA-N 1 0 171.284 1.755 20 0 ADADRO CC(C)[NH2+]CCN1CC[C@@H](C)C1 42372057 537841718 /nfs/dbraw/zinc/84/17/18/537841718.db2.gz JFOUXUKLTHCGRQ-SNVBAGLBSA-N 1 0 170.300 1.326 20 0 ADADRO CC(C)[C@@H](CO)[NH2+]C1CCCC1 41049673 537841819 /nfs/dbraw/zinc/84/18/19/537841819.db2.gz YNPXFZSSNDEUCP-SNVBAGLBSA-N 1 0 171.284 1.536 20 0 ADADRO CCc1ccc([C@@H](C)[NH2+]CCO)s1 41062269 537841856 /nfs/dbraw/zinc/84/18/56/537841856.db2.gz YYGIZOXESYURHT-MRVPVSSYSA-N 1 0 199.319 1.953 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]CCn1ccnc1 41050944 537841894 /nfs/dbraw/zinc/84/18/94/537841894.db2.gz QGGOUZHSJWJUEI-MNOVXSKESA-N 1 0 195.310 1.907 20 0 ADADRO CC[C@H](C)[NH2+]CCn1ccnc1 41042005 537841907 /nfs/dbraw/zinc/84/19/07/537841907.db2.gz PVHKDVJILOYJTR-VIFPVBQESA-N 1 0 167.256 1.271 20 0 ADADRO CC[C@@H](C)[NH2+]CCn1ccnc1 41042004 537841943 /nfs/dbraw/zinc/84/19/43/537841943.db2.gz PVHKDVJILOYJTR-SECBINFHSA-N 1 0 167.256 1.271 20 0 ADADRO c1cn(CC[NH2+]C2CCCC2)cn1 41041860 537841993 /nfs/dbraw/zinc/84/19/93/537841993.db2.gz CQRBKJNGZYNZOO-UHFFFAOYSA-N 1 0 179.267 1.415 20 0 ADADRO CC(C)[N@H+](CCO)Cc1cccs1 42221358 537842167 /nfs/dbraw/zinc/84/21/67/537842167.db2.gz XJWBYNWGKIXODG-UHFFFAOYSA-N 1 0 199.319 1.951 20 0 ADADRO CC(C)[C@@H](CO)[NH2+]Cc1cccs1 41042258 537842197 /nfs/dbraw/zinc/84/21/97/537842197.db2.gz 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/nfs/dbraw/zinc/84/26/44/537842644.db2.gz RIFOBNVDWUHWRM-SNVBAGLBSA-N 1 0 171.284 1.755 20 0 ADADRO CC[C@@H](C)[NH2+][C@H](CO)C(C)C 41049643 537842662 /nfs/dbraw/zinc/84/26/62/537842662.db2.gz PFKBCWZJHHPSFK-RKDXNWHRSA-N 1 0 159.273 1.391 20 0 ADADRO CC(C)C[NH2+]CCOC(C)C 42222179 537842727 /nfs/dbraw/zinc/84/27/27/537842727.db2.gz LWWFECCOBPZQMH-UHFFFAOYSA-N 1 0 159.273 1.657 20 0 ADADRO CC(C)[C@@H](CO)[NH2+]C1CCCCC1 41049617 537842741 /nfs/dbraw/zinc/84/27/41/537842741.db2.gz ZRMPMYMKHIWTJK-LLVKDONJSA-N 1 0 185.311 1.926 20 0 ADADRO CN(CC[NH+](C)C)Cc1ccco1 41392372 537842759 /nfs/dbraw/zinc/84/27/59/537842759.db2.gz QADLDLIDZQLLOW-UHFFFAOYSA-N 1 0 182.267 1.273 20 0 ADADRO CC[C@H](C)[NH2+][C@H](CO)C(C)C 41049644 537842771 /nfs/dbraw/zinc/84/27/71/537842771.db2.gz PFKBCWZJHHPSFK-DTWKUNHWSA-N 1 0 159.273 1.391 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CCn1ccnc1 41042043 537842962 /nfs/dbraw/zinc/84/29/62/537842962.db2.gz MDDGSNOXDICDEB-SNVBAGLBSA-N 1 0 181.283 1.517 20 0 ADADRO c1cc(C[NH2+]C2CCCC2)no1 41670969 537843244 /nfs/dbraw/zinc/84/32/44/537843244.db2.gz ZDYYFJZWIOJENU-UHFFFAOYSA-N 1 0 166.224 1.707 20 0 ADADRO CC[C@H](C)[NH2+]CCOC(C)C 42221587 537843277 /nfs/dbraw/zinc/84/32/77/537843277.db2.gz JHANLQBOYHYOQZ-VIFPVBQESA-N 1 0 159.273 1.800 20 0 ADADRO CC[C@@H](C)[NH2+]Cc1ccon1 41671002 537843357 /nfs/dbraw/zinc/84/33/57/537843357.db2.gz KLGNGCVLDPVNKO-SSDOTTSWSA-N 1 0 154.213 1.563 20 0 ADADRO CCOCC[N@@H+]1CCCC[C@@H]1C 41362441 537843589 /nfs/dbraw/zinc/84/35/89/537843589.db2.gz XOVSJYSOASQQIE-JTQLQIEISA-N 1 0 171.284 1.897 20 0 ADADRO CCCC[N@H+](C)CCN1CCCC1 41202822 537843611 /nfs/dbraw/zinc/84/36/11/537843611.db2.gz DAROLOJTLVIGRC-UHFFFAOYSA-N 1 0 184.327 1.814 20 0 ADADRO CC(C)C[NH2+]Cc1ccno1 41042026 537843688 /nfs/dbraw/zinc/84/36/88/537843688.db2.gz JUOBOGIJLFELDR-UHFFFAOYSA-N 1 0 154.213 1.420 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCn1ccnc1 41050945 537843702 /nfs/dbraw/zinc/84/37/02/537843702.db2.gz QGGOUZHSJWJUEI-QWRGUYRKSA-N 1 0 195.310 1.907 20 0 ADADRO CC(C)C[N@H+](C)C[C@@H](O)C(C)(C)C 44129589 537844205 /nfs/dbraw/zinc/84/42/05/537844205.db2.gz WXJZVJXFMUBANP-SNVBAGLBSA-N 1 0 187.327 1.981 20 0 ADADRO C[C@@H](O)CC[N@H+](C)CC1CC1 44161827 537844242 /nfs/dbraw/zinc/84/42/42/537844242.db2.gz WGFBDLMEOPUVGJ-MRVPVSSYSA-N 1 0 157.257 1.099 20 0 ADADRO C[C@@H](O)C[NH2+]C[C@H]1CCCC[C@H]1C 42861839 537844425 /nfs/dbraw/zinc/84/44/25/537844425.db2.gz RRSIRBMOPVJYEY-GMTAPVOTSA-N 1 0 185.311 1.783 20 0 ADADRO CCCC[N@H+](CC)CC[C@H](C)O 44124392 537844483 /nfs/dbraw/zinc/84/44/83/537844483.db2.gz UDMPCRXRDYHXHE-JTQLQIEISA-N 1 0 173.300 1.879 20 0 ADADRO CC[C@@H](C)[N@H+](C)CC[C@@H](C)O 44126641 537844517 /nfs/dbraw/zinc/84/45/17/537844517.db2.gz UTNVSVPFJTVYSN-RKDXNWHRSA-N 1 0 159.273 1.488 20 0 ADADRO CC[C@H](C)[N@H+](C)CC[C@@H](C)O 44126646 537844613 /nfs/dbraw/zinc/84/46/13/537844613.db2.gz UTNVSVPFJTVYSN-DTWKUNHWSA-N 1 0 159.273 1.488 20 0 ADADRO CC(C)[NH2+]CCOC1CCCC1 43500974 537844692 /nfs/dbraw/zinc/84/46/92/537844692.db2.gz 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Cc1cc(C[NH2+][C@H](C)C2CC2)no1 44296596 537845385 /nfs/dbraw/zinc/84/53/85/537845385.db2.gz UYAVAAAHONXORQ-MRVPVSSYSA-N 1 0 180.251 1.871 20 0 ADADRO CC[NH2+][C@@H](CCO)C1CCCCC1 44198131 537845521 /nfs/dbraw/zinc/84/55/21/537845521.db2.gz RCUSWCZMGHDIDO-NSHDSACASA-N 1 0 185.311 1.927 20 0 ADADRO CC(C)(C)CC(C)(C)[NH2+]CCO 43434699 537845593 /nfs/dbraw/zinc/84/55/93/537845593.db2.gz PXAJVHBMVHRLRW-UHFFFAOYSA-N 1 0 173.300 1.783 20 0 ADADRO CC(C)C[N@H+](C)C[C@H](O)C(C)(C)C 44129586 537845642 /nfs/dbraw/zinc/84/56/42/537845642.db2.gz WXJZVJXFMUBANP-JTQLQIEISA-N 1 0 187.327 1.981 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+]CCCCO 43445378 537845724 /nfs/dbraw/zinc/84/57/24/537845724.db2.gz SGVMCDSXWVBVLM-WDEREUQCSA-N 1 0 185.311 1.927 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCCCO 43445617 537845756 /nfs/dbraw/zinc/84/57/56/537845756.db2.gz QGBDKZHCLUGLNM-UWVGGRQHSA-N 1 0 173.300 1.783 20 0 ADADRO C[N@@H+](CC1CC1)C[C@@H](O)C(C)(C)C 44161556 537845921 /nfs/dbraw/zinc/84/59/21/537845921.db2.gz 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44128789 537846273 /nfs/dbraw/zinc/84/62/73/537846273.db2.gz OCLCVNIWAJWVJI-VIFPVBQESA-N 1 0 171.284 1.632 20 0 ADADRO CC(C)[NH2+]CCOC[C@@H]1CCOC1 44422593 537846313 /nfs/dbraw/zinc/84/63/13/537846313.db2.gz OFWRGGAGJKHCPS-SNVBAGLBSA-N 1 0 187.283 1.038 20 0 ADADRO CC[C@H]1CCCC[C@H]1[NH2+]CCCO 43444235 537846345 /nfs/dbraw/zinc/84/63/45/537846345.db2.gz MAXHCZWNAILVJK-WDEREUQCSA-N 1 0 185.311 1.927 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]CCCCO)C1 43445450 537846532 /nfs/dbraw/zinc/84/65/32/537846532.db2.gz ZGXXDOGNAZKBTJ-MNOVXSKESA-N 1 0 185.311 1.927 20 0 ADADRO COC[C@@H](C)C[NH2+]Cc1ccccn1 44478289 537846644 /nfs/dbraw/zinc/84/66/44/537846644.db2.gz FQSLUWGPRMZJCO-JTQLQIEISA-N 1 0 194.278 1.454 20 0 ADADRO CC[C@H]1CCC[N@H+](CC[C@@H](C)O)C1 44133782 537846811 /nfs/dbraw/zinc/84/68/11/537846811.db2.gz WMNAKSCMZGQAGF-MNOVXSKESA-N 1 0 185.311 1.879 20 0 ADADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCCO 43444274 537846832 /nfs/dbraw/zinc/84/68/32/537846832.db2.gz HVMHFDVIIVZWJR-GHMZBOCLSA-N 1 0 185.311 1.785 20 0 ADADRO CCCNC(=O)CC[NH2+]C1CCCC1 44351391 537846881 /nfs/dbraw/zinc/84/68/81/537846881.db2.gz OPKMDIQQZKJDHM-UHFFFAOYSA-N 1 0 198.310 1.435 20 0 ADADRO C[N@H+](C[C@H](O)C(C)(C)C)C1CC1 44129195 537846897 /nfs/dbraw/zinc/84/68/97/537846897.db2.gz CINMMPCKANWYQZ-VIFPVBQESA-N 1 0 171.284 1.488 20 0 ADADRO C[C@H](O)CC[N@H+](C)[C@@H](C)C1CC1 44133356 537846905 /nfs/dbraw/zinc/84/69/05/537846905.db2.gz OCBJTQCMPGJCKM-IUCAKERBSA-N 1 0 171.284 1.488 20 0 ADADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCO 43444232 537846939 /nfs/dbraw/zinc/84/69/39/537846939.db2.gz MAXHCZWNAILVJK-MNOVXSKESA-N 1 0 185.311 1.927 20 0 ADADRO Cc1cc(C[NH2+]CC(C)C)no1 44294720 537846975 /nfs/dbraw/zinc/84/69/75/537846975.db2.gz GIBLXAVYBKSYPU-UHFFFAOYSA-N 1 0 168.240 1.729 20 0 ADADRO CCn1cc([C@@H](C)[NH2+]CCOC)cn1 44494247 537847032 /nfs/dbraw/zinc/84/70/32/537847032.db2.gz QOCINKQKTIINRC-SECBINFHSA-N 1 0 197.282 1.200 20 0 ADADRO CC(C)CCC[NH2+]CCCCO 43445570 537847015 /nfs/dbraw/zinc/84/70/15/537847015.db2.gz 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/nfs/dbraw/zinc/84/74/57/537847457.db2.gz KLHHZANUVKXJPF-VIFPVBQESA-N 1 0 173.300 1.735 20 0 ADADRO OCCCC[NH2+]C(C1CC1)C1CC1 43445654 537847521 /nfs/dbraw/zinc/84/75/21/537847521.db2.gz PFVBLFASLOSKEB-UHFFFAOYSA-N 1 0 183.295 1.537 20 0 ADADRO C[C@H]1C[C@@H](C)C[N@H+](CC[C@@H](C)O)C1 44113996 537847630 /nfs/dbraw/zinc/84/76/30/537847630.db2.gz KDNHZFFGFYTVKT-OUAUKWLOSA-N 1 0 185.311 1.735 20 0 ADADRO CC[C@@H]1CCC[N@H+](CC[C@@H](C)O)C1 44133780 537847663 /nfs/dbraw/zinc/84/76/63/537847663.db2.gz WMNAKSCMZGQAGF-GHMZBOCLSA-N 1 0 185.311 1.879 20 0 ADADRO C[C@@H](O)CC[N@H+](C)C1CCCC1 44128792 537847702 /nfs/dbraw/zinc/84/77/02/537847702.db2.gz OCLCVNIWAJWVJI-SECBINFHSA-N 1 0 171.284 1.632 20 0 ADADRO CCC[NH2+][C@@H]1CCOC[C@H]1OCC 44044584 537847724 /nfs/dbraw/zinc/84/77/24/537847724.db2.gz QJDXUHLZYVFKAE-NXEZZACHSA-N 1 0 187.283 1.180 20 0 ADADRO CC[C@H]([NH2+]CCCCO)C(C)C 43445633 537847749 /nfs/dbraw/zinc/84/77/49/537847749.db2.gz OOSBNWHYBDTPJU-JTQLQIEISA-N 1 0 173.300 1.783 20 0 ADADRO C[C@H](O)CC[N@H+](C)CC1CC1 44161824 537847883 /nfs/dbraw/zinc/84/78/83/537847883.db2.gz WGFBDLMEOPUVGJ-QMMMGPOBSA-N 1 0 157.257 1.099 20 0 ADADRO C[C@H](Cc1ccsc1)[NH2+]CCCO 43444242 537847902 /nfs/dbraw/zinc/84/79/02/537847902.db2.gz ZKWSLJWOJPWCDG-SECBINFHSA-N 1 0 199.319 1.651 20 0 ADADRO C[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C)O 42861842 537847948 /nfs/dbraw/zinc/84/79/48/537847948.db2.gz RRSIRBMOPVJYEY-HBNTYKKESA-N 1 0 185.311 1.783 20 0 ADADRO CCC[N@H+](C)C[C@@H](O)C(C)(C)C 44127421 537847970 /nfs/dbraw/zinc/84/79/70/537847970.db2.gz KLHHZANUVKXJPF-SECBINFHSA-N 1 0 173.300 1.735 20 0 ADADRO CC(C)CCC[NH2+]CCCO 43444204 537847990 /nfs/dbraw/zinc/84/79/90/537847990.db2.gz ZWYHDZKEVJPDMW-UHFFFAOYSA-N 1 0 159.273 1.395 20 0 ADADRO C[C@@H]1CCCC[C@H]1[NH2+]CCCCO 43445377 537848078 /nfs/dbraw/zinc/84/80/78/537848078.db2.gz SGVMCDSXWVBVLM-GHMZBOCLSA-N 1 0 185.311 1.927 20 0 ADADRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCO 44417730 537848152 /nfs/dbraw/zinc/84/81/52/537848152.db2.gz CWTYPKWGUVGHKJ-NXEZZACHSA-N 1 0 171.284 1.395 20 0 ADADRO COC[C@H](C)C[NH2+]Cc1ccccn1 44478291 537848267 /nfs/dbraw/zinc/84/82/67/537848267.db2.gz FQSLUWGPRMZJCO-SNVBAGLBSA-N 1 0 194.278 1.454 20 0 ADADRO CC(C)[NH2+]CCOC[C@H]1CCOC1 44422596 537848325 /nfs/dbraw/zinc/84/83/25/537848325.db2.gz OFWRGGAGJKHCPS-JTQLQIEISA-N 1 0 187.283 1.038 20 0 ADADRO C[C@H](CC[NH2+]CCO)c1ccccc1 43533338 537848349 /nfs/dbraw/zinc/84/83/49/537848349.db2.gz UDPAKCSWEARFSQ-LLVKDONJSA-N 1 0 193.290 1.762 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+]C1CCC1 44481670 537848372 /nfs/dbraw/zinc/84/83/72/537848372.db2.gz PBNADAORGOOYAQ-SECBINFHSA-N 1 0 179.267 1.414 20 0 ADADRO C[C@@H](Cc1ccsc1)[NH2+]CCCO 43444241 537848396 /nfs/dbraw/zinc/84/83/96/537848396.db2.gz ZKWSLJWOJPWCDG-VIFPVBQESA-N 1 0 199.319 1.651 20 0 ADADRO C[C@H]([NH2+]CCCCO)c1ccco1 43445486 537848413 /nfs/dbraw/zinc/84/84/13/537848413.db2.gz RYCDXROUNJJKGT-VIFPVBQESA-N 1 0 183.251 1.703 20 0 ADADRO OCCCC[NH2+]Cc1cccc(F)c1 43445424 537848426 /nfs/dbraw/zinc/84/84/26/537848426.db2.gz AASRVVAIYJVHMC-UHFFFAOYSA-N 1 0 197.253 1.688 20 0 ADADRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCO 43444233 537848476 /nfs/dbraw/zinc/84/84/76/537848476.db2.gz MAXHCZWNAILVJK-QWRGUYRKSA-N 1 0 185.311 1.927 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CCCCO 43445614 537848522 /nfs/dbraw/zinc/84/85/22/537848522.db2.gz QGBDKZHCLUGLNM-NXEZZACHSA-N 1 0 173.300 1.783 20 0 ADADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCCO 43444276 537848570 /nfs/dbraw/zinc/84/85/70/537848570.db2.gz HVMHFDVIIVZWJR-MNOVXSKESA-N 1 0 185.311 1.785 20 0 ADADRO CCC[NH2+][C@H](C)CCn1cccn1 43988191 537848580 /nfs/dbraw/zinc/84/85/80/537848580.db2.gz OSLUITXRJHIFRR-SNVBAGLBSA-N 1 0 181.283 1.661 20 0 ADADRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCO 43444234 537848601 /nfs/dbraw/zinc/84/86/01/537848601.db2.gz MAXHCZWNAILVJK-GHMZBOCLSA-N 1 0 185.311 1.927 20 0 ADADRO CC[C@@H]([NH2+]CCCCO)C(C)C 43445634 537848742 /nfs/dbraw/zinc/84/87/42/537848742.db2.gz OOSBNWHYBDTPJU-SNVBAGLBSA-N 1 0 173.300 1.783 20 0 ADADRO CCC[NH2+][C@H](C)c1cnn(CC)c1 44421922 537848749 /nfs/dbraw/zinc/84/87/49/537848749.db2.gz PQBJYDWLAIHZMP-SECBINFHSA-N 1 0 181.283 1.964 20 0 ADADRO C[C@@H]1CCC[C@@H]([NH2+]CCCCO)C1 43445452 537848763 /nfs/dbraw/zinc/84/87/63/537848763.db2.gz ZGXXDOGNAZKBTJ-GHMZBOCLSA-N 1 0 185.311 1.927 20 0 ADADRO COC[C@@H](C)C[NH2+]CC(C)C 44478333 537848831 /nfs/dbraw/zinc/84/88/31/537848831.db2.gz GFSDRLJEIGKOHD-VIFPVBQESA-N 1 0 159.273 1.515 20 0 ADADRO Cc1cc(C[NH2+][C@@H](C)C2CC2)no1 44296591 537848781 /nfs/dbraw/zinc/84/87/81/537848781.db2.gz UYAVAAAHONXORQ-QMMMGPOBSA-N 1 0 180.251 1.871 20 0 ADADRO CC1CCC([NH2+]CCCCO)CC1 43445361 537848935 /nfs/dbraw/zinc/84/89/35/537848935.db2.gz PVNZTAQHOVOYPY-UHFFFAOYSA-N 1 0 185.311 1.927 20 0 ADADRO COC[C@H](C)C[NH2+]CC(C)C 44478331 537848958 /nfs/dbraw/zinc/84/89/58/537848958.db2.gz GFSDRLJEIGKOHD-SECBINFHSA-N 1 0 159.273 1.515 20 0 ADADRO C[C@H]([NH2+]CCCCO)c1cccnc1 43445471 537849000 /nfs/dbraw/zinc/84/90/00/537849000.db2.gz VIQZJIUPWGLTOR-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/85/01/93/537850193.db2.gz LMMVFXGZURCPRS-UHFFFAOYSA-N 1 0 187.283 1.182 20 0 ADADRO COCC[C@@H](C)[NH2+]C1CCCC1 45017294 537850291 /nfs/dbraw/zinc/85/02/91/537850291.db2.gz KVIADDRHHRGVQH-SECBINFHSA-N 1 0 171.284 1.944 20 0 ADADRO CNC(=O)CC[NH2+][C@@H]1CCC[C@@H](C)C1 44987837 537850454 /nfs/dbraw/zinc/85/04/54/537850454.db2.gz RZIXWOQZPPMSTI-NXEZZACHSA-N 1 0 198.310 1.291 20 0 ADADRO CNC(=O)CC[NH2+]CCC(C)(C)C 44993852 537850597 /nfs/dbraw/zinc/85/05/97/537850597.db2.gz KNBYJNQTINIUJA-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO COCCCC[NH2+]CC(C)C 44655278 537850649 /nfs/dbraw/zinc/85/06/49/537850649.db2.gz STLWUKLYSBDKCJ-UHFFFAOYSA-N 1 0 159.273 1.659 20 0 ADADRO CC(C)[NH2+]CCCCn1ccnc1 45105508 537850693 /nfs/dbraw/zinc/85/06/93/537850693.db2.gz SYPQEMUZDAMBJV-UHFFFAOYSA-N 1 0 181.283 1.661 20 0 ADADRO CCCNC(=O)CC[NH2+][C@H](C)CC 45071564 537850722 /nfs/dbraw/zinc/85/07/22/537850722.db2.gz MQYWSEMMTSDFIH-SECBINFHSA-N 1 0 186.299 1.291 20 0 ADADRO CNC(=O)CC[NH2+]CC1CCCCC1 44987899 537850780 /nfs/dbraw/zinc/85/07/80/537850780.db2.gz LGHKXMMYNIENDS-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C 44987823 537850852 /nfs/dbraw/zinc/85/08/52/537850852.db2.gz TVWBOQYFPICCHP-UWVGGRQHSA-N 1 0 198.310 1.291 20 0 ADADRO CNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C 44987825 537851075 /nfs/dbraw/zinc/85/10/75/537851075.db2.gz TVWBOQYFPICCHP-NXEZZACHSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 44684453 537851298 /nfs/dbraw/zinc/85/12/98/537851298.db2.gz PEVCOJZVSGDMOY-GHMZBOCLSA-N 1 0 196.338 1.857 20 0 ADADRO CNC(=O)CC[NH2+][C@@H]1CCC[C@H](C)C1 44987839 537851351 /nfs/dbraw/zinc/85/13/51/537851351.db2.gz RZIXWOQZPPMSTI-VHSXEESVSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@H](C)C[NH2+][C@@H]1CCN(C2CC2)C1 44685392 537851397 /nfs/dbraw/zinc/85/13/97/537851397.db2.gz HSIUHLILPQHGFP-GHMZBOCLSA-N 1 0 196.338 1.859 20 0 ADADRO CNC(=O)CC[NH2+]C1CCC(C)CC1 44987791 537851449 /nfs/dbraw/zinc/85/14/49/537851449.db2.gz HXDLYFKEDBVFJA-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CNC(=O)CC[NH2+]C1CCCCCC1 44987795 537851464 /nfs/dbraw/zinc/85/14/64/537851464.db2.gz RXTHDVQWVXSUGS-UHFFFAOYSA-N 1 0 198.310 1.435 20 0 ADADRO CC[C@@H](C)[NH2+]CCOCCOC 44693796 537851620 /nfs/dbraw/zinc/85/16/20/537851620.db2.gz NJSSFZMUHNELFL-SECBINFHSA-N 1 0 175.272 1.038 20 0 ADADRO CC[C@@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 44685019 537851681 /nfs/dbraw/zinc/85/16/81/537851681.db2.gz LDIRRQODWMXFND-NXEZZACHSA-N 1 0 182.311 1.611 20 0 ADADRO CC(C)C[NH2+][C@@H]1CCN(C2CC2)C1 44683989 537851723 /nfs/dbraw/zinc/85/17/23/537851723.db2.gz IPQIIWTXTXTKID-SNVBAGLBSA-N 1 0 182.311 1.469 20 0 ADADRO CNC(=O)CC[NH2+]C[C@@H]1CC=CCC1 44988752 537851779 /nfs/dbraw/zinc/85/17/79/537851779.db2.gz XTSFQCMKJUZLMT-SNVBAGLBSA-N 1 0 196.294 1.068 20 0 ADADRO C[C@H](C[NH2+]CCC(C)(C)C)N(C)C 45107382 537851822 /nfs/dbraw/zinc/85/18/22/537851822.db2.gz RKMIHAZULWADCL-SNVBAGLBSA-N 1 0 186.343 1.962 20 0 ADADRO CCn1cc([C@@H](C)[NH2+]CC2CC2)cn1 44494275 537852105 /nfs/dbraw/zinc/85/21/05/537852105.db2.gz UTGNOJHVKQKQCX-SECBINFHSA-N 1 0 193.294 1.964 20 0 ADADRO CCCC[C@@H](C)[NH2+]CCC(=O)NC 44989834 537852253 /nfs/dbraw/zinc/85/22/53/537852253.db2.gz FFBZGRBFEFJLBP-SECBINFHSA-N 1 0 186.299 1.291 20 0 ADADRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)NC 44988674 537852323 /nfs/dbraw/zinc/85/23/23/537852323.db2.gz YUCODPIBQXWTEC-DTWKUNHWSA-N 1 0 186.299 1.147 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H]1CCN(C2CC2)C1 44685396 537852338 /nfs/dbraw/zinc/85/23/38/537852338.db2.gz HSIUHLILPQHGFP-MNOVXSKESA-N 1 0 196.338 1.859 20 0 ADADRO CC(C)C[NH2+][C@H]1CCN(C2CC2)C1 44683990 537852362 /nfs/dbraw/zinc/85/23/62/537852362.db2.gz IPQIIWTXTXTKID-JTQLQIEISA-N 1 0 182.311 1.469 20 0 ADADRO CCC(CC)C[NH2+]CCC(=O)NC 44987893 537852427 /nfs/dbraw/zinc/85/24/27/537852427.db2.gz CMHWBIMIFIECRX-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CC[C@H]([NH2+]CCC(=O)NC)C(C)C 44989840 537852614 /nfs/dbraw/zinc/85/26/14/537852614.db2.gz HMMPOQKKNOOZJQ-VIFPVBQESA-N 1 0 186.299 1.147 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@H]1CCN(C2CC2)C1 44684460 537852738 /nfs/dbraw/zinc/85/27/38/537852738.db2.gz PEVCOJZVSGDMOY-QWRGUYRKSA-N 1 0 196.338 1.857 20 0 ADADRO CCCC[C@H](C)[NH2+]CCC(=O)NC 44989837 537852813 /nfs/dbraw/zinc/85/28/13/537852813.db2.gz FFBZGRBFEFJLBP-VIFPVBQESA-N 1 0 186.299 1.291 20 0 ADADRO CNC(=O)CC[NH2+][C@H]1CCC[C@H](C)C1 44987835 537852821 /nfs/dbraw/zinc/85/28/21/537852821.db2.gz RZIXWOQZPPMSTI-UWVGGRQHSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@H]([NH2+]CCC(=O)NC)C(C)C 44989843 537852866 /nfs/dbraw/zinc/85/28/66/537852866.db2.gz HMMPOQKKNOOZJQ-SECBINFHSA-N 1 0 186.299 1.147 20 0 ADADRO COCC[C@H](C)[NH2+]Cc1ccncc1 45018537 537852886 /nfs/dbraw/zinc/85/28/86/537852886.db2.gz FGURJEIFXGGFKD-JTQLQIEISA-N 1 0 194.278 1.596 20 0 ADADRO CC[C@@H](C)C[NH2+]CCOCCOC 44693894 537852929 /nfs/dbraw/zinc/85/29/29/537852929.db2.gz NWBVWHGGCOZXEO-SNVBAGLBSA-N 1 0 189.299 1.285 20 0 ADADRO COCC[C@H](C)[NH2+]CC(C)C 45017288 537852944 /nfs/dbraw/zinc/85/29/44/537852944.db2.gz XYQMURMIHDYIAW-VIFPVBQESA-N 1 0 159.273 1.657 20 0 ADADRO CCn1cc([C@H](C)[NH2+]CCOC)cn1 44494248 537853115 /nfs/dbraw/zinc/85/31/15/537853115.db2.gz QOCINKQKTIINRC-VIFPVBQESA-N 1 0 197.282 1.200 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)NC 44988679 537853147 /nfs/dbraw/zinc/85/31/47/537853147.db2.gz YUCODPIBQXWTEC-IUCAKERBSA-N 1 0 186.299 1.147 20 0 ADADRO COCC[C@@H](C)[NH2+]Cc1ccccn1 45017894 537853158 /nfs/dbraw/zinc/85/31/58/537853158.db2.gz HXJZIBBOVNVVBB-SNVBAGLBSA-N 1 0 194.278 1.596 20 0 ADADRO CC[C@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 44685021 537853279 /nfs/dbraw/zinc/85/32/79/537853279.db2.gz LDIRRQODWMXFND-VHSXEESVSA-N 1 0 182.311 1.611 20 0 ADADRO CNC(=O)CC[NH2+][C@H]1CCCC[C@H]1C 44987821 537853359 /nfs/dbraw/zinc/85/33/59/537853359.db2.gz TVWBOQYFPICCHP-ZJUUUORDSA-N 1 0 198.310 1.291 20 0 ADADRO CNC(=O)CC[NH2+]C[C@H]1CC=CCC1 44988750 537853432 /nfs/dbraw/zinc/85/34/32/537853432.db2.gz XTSFQCMKJUZLMT-JTQLQIEISA-N 1 0 196.294 1.068 20 0 ADADRO CC[C@H](C)C[NH2+][C@H]1CCN(C2CC2)C1 44685399 537853440 /nfs/dbraw/zinc/85/34/40/537853440.db2.gz HSIUHLILPQHGFP-QWRGUYRKSA-N 1 0 196.338 1.859 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)NC 44988672 537853510 /nfs/dbraw/zinc/85/35/10/537853510.db2.gz YUCODPIBQXWTEC-RKDXNWHRSA-N 1 0 186.299 1.147 20 0 ADADRO CC[C@@H](C)[NH2+][C@H]1CCN(C2CC2)C1 44685023 537853532 /nfs/dbraw/zinc/85/35/32/537853532.db2.gz LDIRRQODWMXFND-ZJUUUORDSA-N 1 0 182.311 1.611 20 0 ADADRO CC[C@H](C)[NH2+][C@H]1CCN(C2CC2)C1 44685025 537853548 /nfs/dbraw/zinc/85/35/48/537853548.db2.gz LDIRRQODWMXFND-UWVGGRQHSA-N 1 0 182.311 1.611 20 0 ADADRO COCC[C@@H](C)[NH2+]CC(C)C 45017290 537853703 /nfs/dbraw/zinc/85/37/03/537853703.db2.gz XYQMURMIHDYIAW-SECBINFHSA-N 1 0 159.273 1.657 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)NC 44988677 537853754 /nfs/dbraw/zinc/85/37/54/537853754.db2.gz YUCODPIBQXWTEC-BDAKNGLRSA-N 1 0 186.299 1.147 20 0 ADADRO COCCCC[NH2+]C(C)C 44655698 537853733 /nfs/dbraw/zinc/85/37/33/537853733.db2.gz ORKIWBCKWQWDDF-UHFFFAOYSA-N 1 0 145.246 1.411 20 0 ADADRO CC[C@H](C)C[NH2+]CCOCCOC 44693896 537854056 /nfs/dbraw/zinc/85/40/56/537854056.db2.gz NWBVWHGGCOZXEO-JTQLQIEISA-N 1 0 189.299 1.285 20 0 ADADRO C[C@H]([NH2+]CC1CCC1)c1cnn(C)c1 44495818 537854062 /nfs/dbraw/zinc/85/40/62/537854062.db2.gz HNCXEHPCKFWPRW-VIFPVBQESA-N 1 0 193.294 1.871 20 0 ADADRO COCC[C@H](C)[NH2+]C1CCCC1 45017292 537854132 /nfs/dbraw/zinc/85/41/32/537854132.db2.gz KVIADDRHHRGVQH-VIFPVBQESA-N 1 0 171.284 1.944 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@H]1CCN(C2CC2)C1 44684458 537854146 /nfs/dbraw/zinc/85/41/46/537854146.db2.gz PEVCOJZVSGDMOY-MNOVXSKESA-N 1 0 196.338 1.857 20 0 ADADRO CCCNC(=O)CC[NH2+][C@@H](C)CC 45071562 537854178 /nfs/dbraw/zinc/85/41/78/537854178.db2.gz MQYWSEMMTSDFIH-VIFPVBQESA-N 1 0 186.299 1.291 20 0 ADADRO COCC[C@H](C)[NH2+]Cc1ccccn1 45017892 537854332 /nfs/dbraw/zinc/85/43/32/537854332.db2.gz HXJZIBBOVNVVBB-JTQLQIEISA-N 1 0 194.278 1.596 20 0 ADADRO COCC[C@H](C)[NH2+]C1CC1 45017198 537854381 /nfs/dbraw/zinc/85/43/81/537854381.db2.gz XOZYCDPGZXEFPI-ZETCQYMHSA-N 1 0 143.230 1.163 20 0 ADADRO COCC[C@@H](C)[NH2+]Cc1ccncc1 45018539 537854493 /nfs/dbraw/zinc/85/44/93/537854493.db2.gz FGURJEIFXGGFKD-SNVBAGLBSA-N 1 0 194.278 1.596 20 0 ADADRO COCC[C@@H](C)[NH2+]C1CC1 45017200 537854622 /nfs/dbraw/zinc/85/46/22/537854622.db2.gz XOZYCDPGZXEFPI-SSDOTTSWSA-N 1 0 143.230 1.163 20 0 ADADRO CCn1cc([C@H](C)[NH2+]CC2CC2)cn1 44494276 537854640 /nfs/dbraw/zinc/85/46/40/537854640.db2.gz UTGNOJHVKQKQCX-VIFPVBQESA-N 1 0 193.294 1.964 20 0 ADADRO CNC(=O)CC[NH2+][C@H]1CCC[C@@H](C)C1 44987833 537854809 /nfs/dbraw/zinc/85/48/09/537854809.db2.gz RZIXWOQZPPMSTI-ZJUUUORDSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)C[NH2+][C@H](CO)C1CCCC1 50273023 537855840 /nfs/dbraw/zinc/85/58/40/537855840.db2.gz LPCNDUIYJWQOFT-LLVKDONJSA-N 1 0 185.311 1.783 20 0 ADADRO CC[C@H](C)C[NH2+][C@@H]1CCN(C2CC2)C1 44685393 537854956 /nfs/dbraw/zinc/85/49/56/537854956.db2.gz HSIUHLILPQHGFP-WDEREUQCSA-N 1 0 196.338 1.859 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@@H](C)COC 45657058 537855731 /nfs/dbraw/zinc/85/57/31/537855731.db2.gz HHJFCKDWNOLSCB-NXEZZACHSA-N 1 0 173.300 1.905 20 0 ADADRO CC[C@H](C)[NH2+][C@H](CO)C1CCCC1 50272993 537855920 /nfs/dbraw/zinc/85/59/20/537855920.db2.gz SGCRKCQLMLDJGK-GXSJLCMTSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](C)[NH2+][C@H](CO)C1CCCC1 50272992 537856198 /nfs/dbraw/zinc/85/61/98/537856198.db2.gz SGCRKCQLMLDJGK-MWLCHTKSSA-N 1 0 185.311 1.926 20 0 ADADRO CC(C)C[N@H+](C)CCC[C@H](C)O 45619595 537856550 /nfs/dbraw/zinc/85/65/50/537856550.db2.gz AKBPFXGBVGUTEZ-JTQLQIEISA-N 1 0 173.300 1.735 20 0 ADADRO CC[C@H]([NH2+]CCO)c1nccs1 45206171 537856670 /nfs/dbraw/zinc/85/66/70/537856670.db2.gz QLYLBVISUYZZHD-ZETCQYMHSA-N 1 0 186.280 1.176 20 0 ADADRO Cc1csc([C@H](C)[NH2+]CCO)n1 45206282 537856766 /nfs/dbraw/zinc/85/67/66/537856766.db2.gz QWCRBFRMGSFGOM-ZETCQYMHSA-N 1 0 186.280 1.094 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@@H](C)COC 45657060 537857026 /nfs/dbraw/zinc/85/70/26/537857026.db2.gz HHJFCKDWNOLSCB-VHSXEESVSA-N 1 0 173.300 1.905 20 0 ADADRO C[C@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 45619078 537857068 /nfs/dbraw/zinc/85/70/68/537857068.db2.gz UUEKOXDXJQZMGE-WDEREUQCSA-N 1 0 185.311 1.879 20 0 ADADRO CCC[N@H+](CCO)[C@H](C)CC 50106269 537857206 /nfs/dbraw/zinc/85/72/06/537857206.db2.gz SYEMAMDQQOFYHK-SECBINFHSA-N 1 0 159.273 1.489 20 0 ADADRO CC[C@@H](C)[NH2+]C[C@@H](C)COC 45655870 537857252 /nfs/dbraw/zinc/85/72/52/537857252.db2.gz VZIBKOYPYCUYDE-RKDXNWHRSA-N 1 0 159.273 1.657 20 0 ADADRO CC[C@H](C)[N@H+](C)CCC[C@@H](C)O 45619484 537857503 /nfs/dbraw/zinc/85/75/03/537857503.db2.gz HUOQFACZIKMULM-VHSXEESVSA-N 1 0 173.300 1.878 20 0 ADADRO CC1CC[NH+](CCC[C@@H](C)O)CC1 45618992 537857650 /nfs/dbraw/zinc/85/76/50/537857650.db2.gz OVQXPIWIJRGSSQ-LLVKDONJSA-N 1 0 185.311 1.879 20 0 ADADRO C[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 45619965 537858112 /nfs/dbraw/zinc/85/81/12/537858112.db2.gz LRDVAANHQOGBIN-VHSXEESVSA-N 1 0 171.284 1.489 20 0 ADADRO CC(C)[NH2+]Cc1cccc(CO)c1 45206589 537858272 /nfs/dbraw/zinc/85/82/72/537858272.db2.gz RLMRLJYTJQBYOC-UHFFFAOYSA-N 1 0 179.263 1.677 20 0 ADADRO C[C@H]1CCC[N@H+]1CCC[C@@H](C)O 45618905 537858298 /nfs/dbraw/zinc/85/82/98/537858298.db2.gz TVIUSAQIFUJCBP-VHSXEESVSA-N 1 0 171.284 1.632 20 0 ADADRO CCC[N@H+](CCO)[C@@H](C)CC 50106268 537858618 /nfs/dbraw/zinc/85/86/18/537858618.db2.gz SYEMAMDQQOFYHK-VIFPVBQESA-N 1 0 159.273 1.489 20 0 ADADRO CCCC[N@H+](C)CCC[C@@H](C)O 45619216 537858690 /nfs/dbraw/zinc/85/86/90/537858690.db2.gz SBVVSCZDSHZOGP-SNVBAGLBSA-N 1 0 173.300 1.879 20 0 ADADRO CCC[NH2+][C@@H](CO)C1CCCC1 50273028 537858808 /nfs/dbraw/zinc/85/88/08/537858808.db2.gz SAUPCCFLFWHLQG-JTQLQIEISA-N 1 0 171.284 1.537 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@H](C)COC 45657064 537858848 /nfs/dbraw/zinc/85/88/48/537858848.db2.gz HHJFCKDWNOLSCB-UWVGGRQHSA-N 1 0 173.300 1.905 20 0 ADADRO CC(C)C[N@H+](C)CCC[C@@H](C)O 45619592 537858855 /nfs/dbraw/zinc/85/88/55/537858855.db2.gz AKBPFXGBVGUTEZ-SNVBAGLBSA-N 1 0 173.300 1.735 20 0 ADADRO Cc1csc([C@@H](C)[NH2+]CCO)n1 45206281 537858875 /nfs/dbraw/zinc/85/88/75/537858875.db2.gz QWCRBFRMGSFGOM-SSDOTTSWSA-N 1 0 186.280 1.094 20 0 ADADRO C[C@@H](O)CCC[N@@H+]1CCC[C@H]1C 45618902 537858975 /nfs/dbraw/zinc/85/89/75/537858975.db2.gz TVIUSAQIFUJCBP-NXEZZACHSA-N 1 0 171.284 1.632 20 0 ADADRO C[C@H](O)CCC[N@H+](C)[C@@H](C)C1CC1 45619736 537859232 /nfs/dbraw/zinc/85/92/32/537859232.db2.gz MNANPURQZZBRLS-UWVGGRQHSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@H](C)COC 45657062 537859483 /nfs/dbraw/zinc/85/94/83/537859483.db2.gz HHJFCKDWNOLSCB-ZJUUUORDSA-N 1 0 173.300 1.905 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](CO)C1CCCC1 50272991 537859615 /nfs/dbraw/zinc/85/96/15/537859615.db2.gz SGCRKCQLMLDJGK-ONGXEEELSA-N 1 0 185.311 1.926 20 0 ADADRO CCC(CC)[NH2+]CCn1ccnc1C 49329689 537859650 /nfs/dbraw/zinc/85/96/50/537859650.db2.gz WHEFBGHSBXMCNK-UHFFFAOYSA-N 1 0 195.310 1.970 20 0 ADADRO CC(C)[NH2+]CCNC(=O)C(C)(C)C 45820217 537859722 /nfs/dbraw/zinc/85/97/22/537859722.db2.gz YTRBTPSUYDJIMC-UHFFFAOYSA-N 1 0 186.299 1.147 20 0 ADADRO OCCCC[NH2+]C[C@H]1CC=CCC1 45629528 537859740 /nfs/dbraw/zinc/85/97/40/537859740.db2.gz VTSNALNZLKRUPP-NSHDSACASA-N 1 0 183.295 1.705 20 0 ADADRO CC1CC[NH+](CCC[C@H](C)O)CC1 45618995 537860005 /nfs/dbraw/zinc/86/00/05/537860005.db2.gz OVQXPIWIJRGSSQ-NSHDSACASA-N 1 0 185.311 1.879 20 0 ADADRO CC[NH2+][C@H](CO)C1CCCC1 50273015 537860013 /nfs/dbraw/zinc/86/00/13/537860013.db2.gz XRDXTQLRAFVAJT-SECBINFHSA-N 1 0 157.257 1.147 20 0 ADADRO CC[C@@H](C)[NH2+][C@@H](CO)C1CCCC1 50272990 537860026 /nfs/dbraw/zinc/86/00/26/537860026.db2.gz SGCRKCQLMLDJGK-KOLCDFICSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@H](O)CCC[NH+]1CCCC1 45619003 537860034 /nfs/dbraw/zinc/86/00/34/537860034.db2.gz AYLZXNDGPLUIPO-VIFPVBQESA-N 1 0 157.257 1.243 20 0 ADADRO CC[C@@H]([NH2+]CCO)c1nccs1 45206172 537860052 /nfs/dbraw/zinc/86/00/52/537860052.db2.gz QLYLBVISUYZZHD-SSDOTTSWSA-N 1 0 186.280 1.176 20 0 ADADRO CCC[NH2+][C@H](CO)C1CCCC1 50273029 537860173 /nfs/dbraw/zinc/86/01/73/537860173.db2.gz SAUPCCFLFWHLQG-SNVBAGLBSA-N 1 0 171.284 1.537 20 0 ADADRO OC[C@H]([NH2+]CC1CC1)C1CCCC1 50273036 537860231 /nfs/dbraw/zinc/86/02/31/537860231.db2.gz ZLRZTCIRQXDGQQ-NSHDSACASA-N 1 0 183.295 1.537 20 0 ADADRO OCCCC[NH2+]C[C@@H]1CC=CCC1 45629527 537860270 /nfs/dbraw/zinc/86/02/70/537860270.db2.gz VTSNALNZLKRUPP-LLVKDONJSA-N 1 0 183.295 1.705 20 0 ADADRO CC[C@H](C)[NH2+]C[C@@H](C)COC 45655872 537860351 /nfs/dbraw/zinc/86/03/51/537860351.db2.gz VZIBKOYPYCUYDE-BDAKNGLRSA-N 1 0 159.273 1.657 20 0 ADADRO CC[NH2+][C@@H](CO)C1CCCC1 50273014 537860395 /nfs/dbraw/zinc/86/03/95/537860395.db2.gz XRDXTQLRAFVAJT-VIFPVBQESA-N 1 0 157.257 1.147 20 0 ADADRO OC[C@@H]([NH2+]CC1CC1)C1CCCC1 50273035 537860551 /nfs/dbraw/zinc/86/05/51/537860551.db2.gz ZLRZTCIRQXDGQQ-LLVKDONJSA-N 1 0 183.295 1.537 20 0 ADADRO CC(C)C[NH2+][C@@H](CO)C1CCCC1 50273022 537860769 /nfs/dbraw/zinc/86/07/69/537860769.db2.gz LPCNDUIYJWQOFT-NSHDSACASA-N 1 0 185.311 1.783 20 0 ADADRO c1ncn(CCC[NH2+]C2CCCC2)n1 47888112 537861013 /nfs/dbraw/zinc/86/10/13/537861013.db2.gz RILJDPXISGXEHY-UHFFFAOYSA-N 1 0 194.282 1.200 20 0 ADADRO CCCC[N@H+](C)CCC[C@H](C)O 45619219 537861090 /nfs/dbraw/zinc/86/10/90/537861090.db2.gz SBVVSCZDSHZOGP-JTQLQIEISA-N 1 0 173.300 1.879 20 0 ADADRO Cc1cnc([C@@H](C)[NH2+]CCO)s1 45206283 537861292 /nfs/dbraw/zinc/86/12/92/537861292.db2.gz KPYZRWVBMCVBKO-SSDOTTSWSA-N 1 0 186.280 1.094 20 0 ADADRO CC(C)OCC[NH2+]C1CCOCC1 49259430 537861315 /nfs/dbraw/zinc/86/13/15/537861315.db2.gz VXGRRSXQKFRFNJ-UHFFFAOYSA-N 1 0 187.283 1.180 20 0 ADADRO Cc1cnc([C@H](C)[NH2+]CCO)s1 45206284 537861357 /nfs/dbraw/zinc/86/13/57/537861357.db2.gz KPYZRWVBMCVBKO-ZETCQYMHSA-N 1 0 186.280 1.094 20 0 ADADRO C[C@H]([NH2+]CCCCCO)C1CC1 51020800 537861833 /nfs/dbraw/zinc/86/18/33/537861833.db2.gz RRINUKZPBJKZNB-VIFPVBQESA-N 1 0 171.284 1.537 20 0 ADADRO CCCC[C@@H](C)[NH2+]CCCCO 50888197 537861956 /nfs/dbraw/zinc/86/19/56/537861956.db2.gz BTVSYPNGNMQPJE-SNVBAGLBSA-N 1 0 173.300 1.927 20 0 ADADRO CC(C)[C@H](C)[NH2+]CCCCCO 51020700 537862188 /nfs/dbraw/zinc/86/21/88/537862188.db2.gz YOQVYQKDMLBCBT-JTQLQIEISA-N 1 0 173.300 1.783 20 0 ADADRO CCCC[C@H](C)[NH2+]CCCCO 50888198 537862355 /nfs/dbraw/zinc/86/23/55/537862355.db2.gz BTVSYPNGNMQPJE-JTQLQIEISA-N 1 0 173.300 1.927 20 0 ADADRO CCC[NH2+]CC1(OC)CCCC1 50482467 537862469 /nfs/dbraw/zinc/86/24/69/537862469.db2.gz MEKGWZDAUIRGPX-UHFFFAOYSA-N 1 0 171.284 1.945 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CCCCCO 51020698 537862542 /nfs/dbraw/zinc/86/25/42/537862542.db2.gz YOQVYQKDMLBCBT-SNVBAGLBSA-N 1 0 173.300 1.783 20 0 ADADRO CC[NH2+]CCCC1CC1 70639214 537864126 /nfs/dbraw/zinc/86/41/26/537864126.db2.gz VURODBVWPSZFLF-UHFFFAOYSA-N 1 0 127.231 1.786 20 0 ADADRO C[NH2+]CCCC1CC1 70639124 537864137 /nfs/dbraw/zinc/86/41/37/537864137.db2.gz YFAFLQKWXGLPJA-UHFFFAOYSA-N 1 0 113.204 1.396 20 0 ADADRO Cc1ccc(C[C@H](O)C[NH3+])cc1C 71497903 537864589 /nfs/dbraw/zinc/86/45/89/537864589.db2.gz OWNBTCXXIRYCCQ-NSHDSACASA-N 1 0 179.263 1.166 20 0 ADADRO C[C@@H](C[NH3+])[C@H](O)c1ccc(F)cc1 74299484 537864703 /nfs/dbraw/zinc/86/47/03/537864703.db2.gz IQFWIACUUJZFDF-XVKPBYJWSA-N 1 0 183.226 1.454 20 0 ADADRO C[C@@H](C[NH3+])[C@@H](O)c1ccc(F)cc1 74299487 537864910 /nfs/dbraw/zinc/86/49/10/537864910.db2.gz IQFWIACUUJZFDF-OIBJUYFYSA-N 1 0 183.226 1.454 20 0 ADADRO CC(C)(C)[C@@H]1CC[C@H](O)[C@H](C[NH3+])C1 74280964 537864963 /nfs/dbraw/zinc/86/49/63/537864963.db2.gz SCNMMSMZYTYDRD-AEJSXWLSSA-N 1 0 185.311 1.768 20 0 ADADRO Cc1ccccc1[C@](C)(O)CC[NH3+] 71497984 537867324 /nfs/dbraw/zinc/86/73/24/537867324.db2.gz SDETYFICRFIPLS-LLVKDONJSA-N 1 0 179.263 1.551 20 0 ADADRO Cc1cccc(C[C@H]2C[NH2+]CCO2)c1 71505852 537865164 /nfs/dbraw/zinc/86/51/64/537865164.db2.gz STZVAUCDPJMNEK-LBPRGKRZSA-N 1 0 191.274 1.526 20 0 ADADRO C[C@H](C[NH3+])[C@@H](O)c1ccc(F)cc1 74299489 537865240 /nfs/dbraw/zinc/86/52/40/537865240.db2.gz IQFWIACUUJZFDF-GMSGAONNSA-N 1 0 183.226 1.454 20 0 ADADRO CC(C)(C)[C@@H]1CC[C@@H](O)[C@H](C[NH3+])C1 74280969 537867870 /nfs/dbraw/zinc/86/78/70/537867870.db2.gz SCNMMSMZYTYDRD-IVZWLZJFSA-N 1 0 185.311 1.768 20 0 ADADRO C[C@@H]([NH3+])C(=O)Cc1cccs1 74331180 537865636 /nfs/dbraw/zinc/86/56/36/537865636.db2.gz HSTMOIOHMJXRMI-ZCFIWIBFSA-N 1 0 169.249 1.207 20 0 ADADRO Cc1ccc(C[C@H]2C[NH2+]CCO2)cc1 71505854 537865787 /nfs/dbraw/zinc/86/57/87/537865787.db2.gz VDUODZXRVRJODT-LBPRGKRZSA-N 1 0 191.274 1.526 20 0 ADADRO Cc1ccc([C@](C)(O)CC[NH3+])s1 74281185 537865947 /nfs/dbraw/zinc/86/59/47/537865947.db2.gz WUIRCCUDIQYWCR-SECBINFHSA-N 1 0 185.292 1.613 20 0 ADADRO [NH3+]CCCC(=O)c1cncs1 74310935 537866016 /nfs/dbraw/zinc/86/60/16/537866016.db2.gz NGWDQNCTNFPUNM-UHFFFAOYSA-N 1 0 170.237 1.065 20 0 ADADRO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Cl)cc1 74214288 537866305 /nfs/dbraw/zinc/86/63/05/537866305.db2.gz RJHKTARELHIRAN-OIBJUYFYSA-N 1 0 199.681 1.968 20 0 ADADRO C[C@H]([NH3+])C(=O)Cc1cccs1 74331174 537866372 /nfs/dbraw/zinc/86/63/72/537866372.db2.gz HSTMOIOHMJXRMI-LURJTMIESA-N 1 0 169.249 1.207 20 0 ADADRO C[C@](O)(CC[NH3+])c1cccc(F)c1 71499356 537866399 /nfs/dbraw/zinc/86/63/99/537866399.db2.gz RCVCUBXRVSBOLY-JTQLQIEISA-N 1 0 183.226 1.382 20 0 ADADRO Cc1ccc([C@H](O)[C@H](C)C[NH3+])cc1 74304803 537866447 /nfs/dbraw/zinc/86/64/47/537866447.db2.gz LHADCTFQWBBZLA-MWLCHTKSSA-N 1 0 179.263 1.623 20 0 ADADRO Cc1ccc([C@H](O)[C@@H](C)C[NH3+])cc1 74304800 537866455 /nfs/dbraw/zinc/86/64/55/537866455.db2.gz LHADCTFQWBBZLA-GXSJLCMTSA-N 1 0 179.263 1.623 20 0 ADADRO C[C@](O)(CC[NH3+])c1ccccc1Cl 71507974 537866550 /nfs/dbraw/zinc/86/65/50/537866550.db2.gz AERSTJQJJGXNMS-JTQLQIEISA-N 1 0 199.681 1.896 20 0 ADADRO [NH3+]CC[C@H](O)c1cccc(F)c1F 74279647 537866655 /nfs/dbraw/zinc/86/66/55/537866655.db2.gz LXGAZNAEONEOSE-QMMMGPOBSA-N 1 0 187.189 1.347 20 0 ADADRO C[C@H](C[NH3+])[C@@H](O)c1ccc(Cl)cc1 74214289 537866881 /nfs/dbraw/zinc/86/68/81/537866881.db2.gz RJHKTARELHIRAN-GMSGAONNSA-N 1 0 199.681 1.968 20 0 ADADRO Cc1ccc([C@@](C)(O)CC[NH3+])s1 74281187 537866906 /nfs/dbraw/zinc/86/69/06/537866906.db2.gz WUIRCCUDIQYWCR-VIFPVBQESA-N 1 0 185.292 1.613 20 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HBUXTWMSYRWFCX-LLVKDONJSA-N 1 0 179.263 1.166 20 0 ADADRO CC(C)c1nn2cccnc2c1C[NH3+] 71471006 537868188 /nfs/dbraw/zinc/86/81/88/537868188.db2.gz KHOGWDQBVXGOIU-UHFFFAOYSA-N 1 0 190.250 1.311 20 0 ADADRO Cc1ccc([C@@H](O)[C@H](C)C[NH3+])cc1 74304805 537868298 /nfs/dbraw/zinc/86/82/98/537868298.db2.gz LHADCTFQWBBZLA-KOLCDFICSA-N 1 0 179.263 1.623 20 0 ADADRO C1Cc2c(C3CC3)noc2C[NH2+]1 74340301 537868370 /nfs/dbraw/zinc/86/83/70/537868370.db2.gz VBYWGSZITLCANS-UHFFFAOYSA-N 1 0 164.208 1.198 20 0 ADADRO Cc1ccc([C@@H](O)[C@@H](C)C[NH3+])cc1 74304802 537868391 /nfs/dbraw/zinc/86/83/91/537868391.db2.gz LHADCTFQWBBZLA-ONGXEEELSA-N 1 0 179.263 1.623 20 0 ADADRO Cc1cccc(C[C@@H]2C[NH2+]CCO2)c1 71505851 537868503 /nfs/dbraw/zinc/86/85/03/537868503.db2.gz STZVAUCDPJMNEK-GFCCVEGCSA-N 1 0 191.274 1.526 20 0 ADADRO [NH3+]CC[C@@H](O)c1cccc(F)c1F 74279643 537868553 /nfs/dbraw/zinc/86/85/53/537868553.db2.gz LXGAZNAEONEOSE-MRVPVSSYSA-N 1 0 187.189 1.347 20 0 ADADRO C[C@@](O)(CC[NH3+])c1ccccc1Cl 71507973 537868611 /nfs/dbraw/zinc/86/86/11/537868611.db2.gz AERSTJQJJGXNMS-SNVBAGLBSA-N 1 0 199.681 1.896 20 0 ADADRO C[C@@](O)(CC[NH3+])c1cccc(Cl)c1 71507977 537868684 /nfs/dbraw/zinc/86/86/84/537868684.db2.gz PWQTWJGEOWPSEX-SNVBAGLBSA-N 1 0 199.681 1.896 20 0 ADADRO C[C@H](C[NH3+])[C@H](O)c1ccc(F)cc1 74299485 537868846 /nfs/dbraw/zinc/86/88/46/537868846.db2.gz IQFWIACUUJZFDF-XCBNKYQSSA-N 1 0 183.226 1.454 20 0 ADADRO CC(C)(C[NH3+])[C@@H]1CCCOC1 74342230 537869056 /nfs/dbraw/zinc/86/90/56/537869056.db2.gz DAFVTAUBMTUAGW-MRVPVSSYSA-N 1 0 157.257 1.398 20 0 ADADRO CCC([NH3+])(CC)c1ncccn1 70948645 537869064 /nfs/dbraw/zinc/86/90/64/537869064.db2.gz ONJNQEZLVKQFOK-UHFFFAOYSA-N 1 0 165.240 1.451 20 0 ADADRO CCCC(=O)Nc1cccc(C[NH3+])n1 74379885 537869988 /nfs/dbraw/zinc/86/99/88/537869988.db2.gz NAXLFIIWBILPQE-UHFFFAOYSA-N 1 0 193.250 1.279 20 0 ADADRO CC(C)[N@@H+]1CCNC[C@@H]1C(C)(C)C 77271864 537870066 /nfs/dbraw/zinc/87/00/66/537870066.db2.gz CDXWUCPJZIYJPL-SNVBAGLBSA-N 1 0 184.327 1.715 20 0 ADADRO CC1(C)CCC2(CC1)C[NH2+]CCO2 76608953 537870292 /nfs/dbraw/zinc/87/02/92/537870292.db2.gz RTPPOEYEFKTZES-UHFFFAOYSA-N 1 0 183.295 1.945 20 0 ADADRO C[C@H](O)[C@](C)(C[NH3+])c1ccccc1 75569543 537870439 /nfs/dbraw/zinc/87/04/39/537870439.db2.gz RMHXDGJECRFQOQ-ONGXEEELSA-N 1 0 179.263 1.284 20 0 ADADRO CC[C@@]1(C)C[C@](O)(CC[NH3+])CCO1 75577905 537870822 /nfs/dbraw/zinc/87/08/22/537870822.db2.gz ILVWOZYATWDXCI-UWVGGRQHSA-N 1 0 187.283 1.045 20 0 ADADRO CCC(=O)[C@H](C)[NH2+]C1CC1 77260301 537871309 /nfs/dbraw/zinc/87/13/09/537871309.db2.gz ATAWASZUWBFWJI-LURJTMIESA-N 1 0 141.214 1.106 20 0 ADADRO CC(C)[N@@H+]1CCNC[C@H]1C(C)(C)C 77271868 537871461 /nfs/dbraw/zinc/87/14/61/537871461.db2.gz CDXWUCPJZIYJPL-JTQLQIEISA-N 1 0 184.327 1.715 20 0 ADADRO CC(C)C[C@@H]1CNCC[N@@H+]1C1CC1 77270279 537871483 /nfs/dbraw/zinc/87/14/83/537871483.db2.gz PEBUXYFYVCLSSR-LLVKDONJSA-N 1 0 182.311 1.469 20 0 ADADRO CC(C)C[C@H]1CNCC[N@@H+]1C1CC1 77270289 537871642 /nfs/dbraw/zinc/87/16/42/537871642.db2.gz PEBUXYFYVCLSSR-NSHDSACASA-N 1 0 182.311 1.469 20 0 ADADRO C[C@H](O)[C@@](C)(C[NH3+])c1ccccc1 75569539 537871748 /nfs/dbraw/zinc/87/17/48/537871748.db2.gz RMHXDGJECRFQOQ-GXSJLCMTSA-N 1 0 179.263 1.284 20 0 ADADRO CCCC(=O)Nc1nc(C[NH3+])cs1 77254104 537872064 /nfs/dbraw/zinc/87/20/64/537872064.db2.gz ZIAIQHVRTJLAKD-UHFFFAOYSA-N 1 0 199.279 1.340 20 0 ADADRO CC1CCC(C(=O)C[NH3+])CC1 76590969 537872170 /nfs/dbraw/zinc/87/21/70/537872170.db2.gz UTCNRTZCXLHDNO-UHFFFAOYSA-N 1 0 155.241 1.341 20 0 ADADRO [NH3+]CC[C@@H](O)c1sccc1Cl 75086665 537872369 /nfs/dbraw/zinc/87/23/69/537872369.db2.gz AMAKVPTYMOHDBM-ZCFIWIBFSA-N 1 0 191.683 1.784 20 0 ADADRO CC[C@]1(C)C[C@@](O)(CC[NH3+])CCO1 75577907 537873140 /nfs/dbraw/zinc/87/31/40/537873140.db2.gz ILVWOZYATWDXCI-NXEZZACHSA-N 1 0 187.283 1.045 20 0 ADADRO CN1C[C@@H]([NH3+])C2(CCCCC2)C1 76596989 537873219 /nfs/dbraw/zinc/87/32/19/537873219.db2.gz NWONIFCNBNSQPR-SECBINFHSA-N 1 0 168.284 1.210 20 0 ADADRO CC(C)Cc1n[nH]c2c1C[NH2+]CC2 77267918 537873434 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537900277 /nfs/dbraw/zinc/90/02/77/537900277.db2.gz QFCWBRONOSMFSM-SNVBAGLBSA-N 1 0 183.226 1.516 20 0 ADADRO C[C@H](C[NH3+])[C@@H](O)C1CCCCCC1 83563776 537900284 /nfs/dbraw/zinc/90/02/84/537900284.db2.gz ZEEOYLDDSOSYCM-MWLCHTKSSA-N 1 0 185.311 1.913 20 0 ADADRO Cc1ccc(F)c([C@@H](O)CC[NH3+])c1 83557767 537900300 /nfs/dbraw/zinc/90/03/00/537900300.db2.gz LPIUAYQJEYLYGX-JTQLQIEISA-N 1 0 183.226 1.516 20 0 ADADRO C[C@@H](C[NH3+])[C@H](O)C1CCCCC1 83563705 537900400 /nfs/dbraw/zinc/90/04/00/537900400.db2.gz IVZHIRKMUFRTGP-WPRPVWTQSA-N 1 0 171.284 1.522 20 0 ADADRO C[C@@H](C[NH3+])[C@@H](O)C1CCCC1 83563671 537900424 /nfs/dbraw/zinc/90/04/24/537900424.db2.gz WUHJTQJUGVMTEC-IONNQARKSA-N 1 0 157.257 1.132 20 0 ADADRO [NH3+]CC[C@@H](O)c1cc(F)cc(F)c1 83557693 537900481 /nfs/dbraw/zinc/90/04/81/537900481.db2.gz CCQNZGIWNWLNEK-SECBINFHSA-N 1 0 187.189 1.347 20 0 ADADRO CC[C@@H](C[NH3+])[C@H](O)C(C)(C)C 83564168 537901129 /nfs/dbraw/zinc/90/11/29/537901129.db2.gz FLKZOKMCUTVWLV-YUMQZZPRSA-N 1 0 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537906202 /nfs/dbraw/zinc/90/62/02/537906202.db2.gz MDUDLXRHPZXMAQ-SECBINFHSA-N 1 0 177.251 1.397 20 0 ADADRO CCC1(CC)[NH2+]CCc2ncn(C)c21 84258979 537906250 /nfs/dbraw/zinc/90/62/50/537906250.db2.gz VPYGUFAGQZDVOR-UHFFFAOYSA-N 1 0 193.294 1.581 20 0 ADADRO c1nc2c([nH]1)[C@@H](C1CCCC1)[NH2+]CC2 83982319 537906335 /nfs/dbraw/zinc/90/63/35/537906335.db2.gz ZPTPZVQGLAAQIQ-SNVBAGLBSA-N 1 0 191.278 1.787 20 0 ADADRO Cn1cnc2c1[C@@H](C(C)(C)C)[NH2+]CC2 83982813 537906359 /nfs/dbraw/zinc/90/63/59/537906359.db2.gz LCAZEENASKKQQS-JTQLQIEISA-N 1 0 193.294 1.653 20 0 ADADRO CCCc1nc2n(c1C[NH3+])CCCC2 83982878 537906619 /nfs/dbraw/zinc/90/66/19/537906619.db2.gz WTUHMAIYCWZXOX-UHFFFAOYSA-N 1 0 193.294 1.631 20 0 ADADRO CC(C)(C)c1cn2c([nH+]1)NCCC2 83964174 537906678 /nfs/dbraw/zinc/90/66/78/537906678.db2.gz NCTQIJXYRUKNBL-UHFFFAOYSA-N 1 0 179.267 1.996 20 0 ADADRO Cn1cnc2c1[C@H](C1CCC1)[NH2+]CC2 83982317 537906776 /nfs/dbraw/zinc/90/67/76/537906776.db2.gz FGWFSAIYOXUNGB-JTQLQIEISA-N 1 0 191.278 1.407 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537938075 /nfs/dbraw/zinc/93/80/75/537938075.db2.gz SDONYGJFYVSBJQ-UHFFFAOYSA-N 1 0 111.188 1.172 20 0 ADADRO CC1(C)CC[C@@H]([C@@H]2CCC[NH2+]2)C1=O 86865415 537938115 /nfs/dbraw/zinc/93/81/15/537938115.db2.gz YDBQLVAOKXTQLO-IUCAKERBSA-N 1 0 181.279 1.744 20 0 ADADRO CC1(C)CCC[C@@]1(O)CC[NH3+] 86870187 537938189 /nfs/dbraw/zinc/93/81/89/537938189.db2.gz DQFFPZKMIBWOJW-SECBINFHSA-N 1 0 157.257 1.276 20 0 ADADRO CC1(C)CC[C@H]([C@H]2CCC[NH2+]2)C1=O 86865416 537938198 /nfs/dbraw/zinc/93/81/98/537938198.db2.gz YDBQLVAOKXTQLO-RKDXNWHRSA-N 1 0 181.279 1.744 20 0 ADADRO O=C(C[C@@H]1CCCC[NH2+]1)c1ccoc1 87290629 537938207 /nfs/dbraw/zinc/93/82/07/537938207.db2.gz AXLAGQUHJVUJLI-JTQLQIEISA-N 1 0 193.246 1.995 20 0 ADADRO O=C(C[C@H]1CCC[NH2+]1)c1ccoc1 87290635 537938282 /nfs/dbraw/zinc/93/82/82/537938282.db2.gz JBZHHMVXEOKWHJ-SECBINFHSA-N 1 0 179.219 1.604 20 0 ADADRO CC1(C)C[C@](O)(CC[NH3+])C(C)(C)O1 86928993 537938290 /nfs/dbraw/zinc/93/82/90/537938290.db2.gz LJZSGGLYCWHDQS-SNVBAGLBSA-N 1 0 187.283 1.044 20 0 ADADRO CC1([C@@H](O)CC[NH3+])CCCC1 87330480 537938309 /nfs/dbraw/zinc/93/83/09/537938309.db2.gz YABRXDPIWUBGNM-QMMMGPOBSA-N 1 0 157.257 1.276 20 0 ADADRO CC1(C)CCC[C@]1(O)CC[NH3+] 86870185 537938326 /nfs/dbraw/zinc/93/83/26/537938326.db2.gz DQFFPZKMIBWOJW-VIFPVBQESA-N 1 0 157.257 1.276 20 0 ADADRO O=C(C[C@@H]1CCC[NH2+]1)c1ccoc1 87290634 537938374 /nfs/dbraw/zinc/93/83/74/537938374.db2.gz JBZHHMVXEOKWHJ-VIFPVBQESA-N 1 0 179.219 1.604 20 0 ADADRO C[C@@H](C[NH3+])[C@@H](O)C1(C)CCCC1 87330516 537938436 /nfs/dbraw/zinc/93/84/36/537938436.db2.gz TXIHDZQORAOGQJ-DTWKUNHWSA-N 1 0 171.284 1.522 20 0 ADADRO C[C@H](C[NH3+])[C@]1(O)CCCCC1(C)C 86850582 537938444 /nfs/dbraw/zinc/93/84/44/537938444.db2.gz GUTUXWOKXWYSLN-MWLCHTKSSA-N 1 0 185.311 1.913 20 0 ADADRO CC[C@H](C[NH3+])[C@@]1(O)CCCC1(C)C 86870199 537938499 /nfs/dbraw/zinc/93/84/99/537938499.db2.gz CXSRFKIVPXQOJU-KOLCDFICSA-N 1 0 185.311 1.913 20 0 ADADRO Cc1ccc([C@H](O)CC[NH3+])c(F)c1 87333266 537938631 /nfs/dbraw/zinc/93/86/31/537938631.db2.gz VRIUVUFFOBXTMC-SNVBAGLBSA-N 1 0 183.226 1.516 20 0 ADADRO C(=C1C[NH2+]C1)C1CCC1 86881911 537938667 /nfs/dbraw/zinc/93/86/67/537938667.db2.gz YPDYOQNPIXFVBI-UHFFFAOYSA-N 1 0 123.199 1.316 20 0 ADADRO CC(=O)C(C(C)=O)[C@@H]1CCCCC[NH2+]1 87196389 537938712 /nfs/dbraw/zinc/93/87/12/537938712.db2.gz BHRIGSNMXWJYLL-JTQLQIEISA-N 1 0 197.278 1.313 20 0 ADADRO C[C@@H](C[NH3+])[C@]1(O)CCCC1(C)C 86870167 537938794 /nfs/dbraw/zinc/93/87/94/537938794.db2.gz APEWRCKDZAWGMS-WCBMZHEXSA-N 1 0 171.284 1.522 20 0 ADADRO C(=C1C[NH2+]C1)C1CCCC1 86882039 537938810 /nfs/dbraw/zinc/93/88/10/537938810.db2.gz QWLXWFMWEDAHHW-UHFFFAOYSA-N 1 0 137.226 1.706 20 0 ADADRO C[C@@H](C[NH3+])[C@]1(O)CCCCC1(C)C 86850580 537938826 /nfs/dbraw/zinc/93/88/26/537938826.db2.gz GUTUXWOKXWYSLN-GXSJLCMTSA-N 1 0 185.311 1.913 20 0 ADADRO CC(C)(C[NH3+])[C@]1(O)CCCC1(C)C 86870204 537938831 /nfs/dbraw/zinc/93/88/31/537938831.db2.gz RIUUSYDDVQFSKL-NSHDSACASA-N 1 0 185.311 1.913 20 0 ADADRO C[C@H](C[NH3+])[C@@]1(O)CCCCC1(C)C 86850585 537938874 /nfs/dbraw/zinc/93/88/74/537938874.db2.gz GUTUXWOKXWYSLN-KOLCDFICSA-N 1 0 185.311 1.913 20 0 ADADRO C[C@H](C[NH3+])[C@H](O)C1(C)CCCC1 87330513 537938876 /nfs/dbraw/zinc/93/88/76/537938876.db2.gz TXIHDZQORAOGQJ-BDAKNGLRSA-N 1 0 171.284 1.522 20 0 ADADRO CC1(C)CC[C@H]([C@@H]2CCC[NH2+]2)C1=O 86865414 537938888 /nfs/dbraw/zinc/93/88/88/537938888.db2.gz YDBQLVAOKXTQLO-BDAKNGLRSA-N 1 0 181.279 1.744 20 0 ADADRO C[C@@H](C[NH3+])[C@@](C)(O)C1(C)CC1 87369252 537939349 /nfs/dbraw/zinc/93/93/49/537939349.db2.gz VAOYJIIOYRTQBA-IONNQARKSA-N 1 0 157.257 1.132 20 0 ADADRO C[C@H](C[NH3+])[C@](C)(O)C1(C)CC1 87369250 537939405 /nfs/dbraw/zinc/93/94/05/537939405.db2.gz VAOYJIIOYRTQBA-APPZFPTMSA-N 1 0 157.257 1.132 20 0 ADADRO CC1(C(=O)C[C@H]2CCCC[NH2+]2)CC1 87364729 537939453 /nfs/dbraw/zinc/93/94/53/537939453.db2.gz UMBHIWXKQLWQOH-SECBINFHSA-N 1 0 181.279 1.888 20 0 ADADRO CC1(C(=O)C[C@H]2CCC[NH2+]2)CC1 87364741 537939462 /nfs/dbraw/zinc/93/94/62/537939462.db2.gz POATVFLGGZNCKV-MRVPVSSYSA-N 1 0 167.252 1.498 20 0 ADADRO C[C@H](C[NH3+])[C@@](C)(O)C1(C)CC1 87369255 537939644 /nfs/dbraw/zinc/93/96/44/537939644.db2.gz VAOYJIIOYRTQBA-VXNVDRBHSA-N 1 0 157.257 1.132 20 0 ADADRO CC1([C@@](C)(O)C2(C[NH3+])CCC2)CC1 87369357 537939704 /nfs/dbraw/zinc/93/97/04/537939704.db2.gz XPVPUSRIBGEDJA-SNVBAGLBSA-N 1 0 183.295 1.667 20 0 ADADRO C[C@@H](C[NH3+])[C@](C)(O)C1(C)CC1 87369245 537939717 /nfs/dbraw/zinc/93/97/17/537939717.db2.gz VAOYJIIOYRTQBA-CBAPKCEASA-N 1 0 157.257 1.132 20 0 ADADRO CC1([C@](C)(O)C2(C[NH3+])CCC2)CC1 87369352 537939870 /nfs/dbraw/zinc/93/98/70/537939870.db2.gz XPVPUSRIBGEDJA-JTQLQIEISA-N 1 0 183.295 1.667 20 0 ADADRO CC1(C(=O)C[C@@H]2CCC[NH2+]2)CC1 87364740 537939890 /nfs/dbraw/zinc/93/98/90/537939890.db2.gz POATVFLGGZNCKV-QMMMGPOBSA-N 1 0 167.252 1.498 20 0 ADADRO CC(C)(C[NH3+])[C@@](C)(O)C1(C)CC1 87369308 537939966 /nfs/dbraw/zinc/93/99/66/537939966.db2.gz VIELBFPDUKFSNC-SNVBAGLBSA-N 1 0 171.284 1.522 20 0 ADADRO CC1(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 87364728 537940021 /nfs/dbraw/zinc/94/00/21/537940021.db2.gz UMBHIWXKQLWQOH-VIFPVBQESA-N 1 0 181.279 1.888 20 0 ADADRO CC(C)(C[NH3+])[C@](C)(O)C1(C)CC1 87369311 537940060 /nfs/dbraw/zinc/94/00/60/537940060.db2.gz VIELBFPDUKFSNC-JTQLQIEISA-N 1 0 171.284 1.522 20 0 ADADRO Cc1ccc([C@H](O)[C@@H](C)C[NH3+])nc1 88136719 537940270 /nfs/dbraw/zinc/94/02/70/537940270.db2.gz QUYMIOPIFFFSNC-WCBMZHEXSA-N 1 0 180.251 1.018 20 0 ADADRO C[C@@H]1CC(C)(C)CC[C@@]1(O)CC[NH3+] 88134145 537941455 /nfs/dbraw/zinc/94/14/55/537941455.db2.gz OOFVHTUCRIXCRK-MWLCHTKSSA-N 1 0 185.311 1.913 20 0 ADADRO Cc1ccc([C@H](O)[C@H](C)C[NH3+])nc1 88136723 537941464 /nfs/dbraw/zinc/94/14/64/537941464.db2.gz QUYMIOPIFFFSNC-PSASIEDQSA-N 1 0 180.251 1.018 20 0 ADADRO C[C@@H]1CC(C)(C)CC[C@]1(O)CC[NH3+] 88134140 537941805 /nfs/dbraw/zinc/94/18/05/537941805.db2.gz OOFVHTUCRIXCRK-KOLCDFICSA-N 1 0 185.311 1.913 20 0 ADADRO Cc1ccc([C@@H](O)[C@H](C)C[NH3+])nc1 88136726 537942147 /nfs/dbraw/zinc/94/21/47/537942147.db2.gz QUYMIOPIFFFSNC-SCZZXKLOSA-N 1 0 180.251 1.018 20 0 ADADRO C[C@H]1CC(C)(C)CC[C@]1(O)CC[NH3+] 88134143 537942725 /nfs/dbraw/zinc/94/27/25/537942725.db2.gz OOFVHTUCRIXCRK-ONGXEEELSA-N 1 0 185.311 1.913 20 0 ADADRO C[N@H+](CCN)CC1CCCC1 88383588 537942905 /nfs/dbraw/zinc/94/29/05/537942905.db2.gz ZSKFTQBPPULDBN-UHFFFAOYSA-N 1 0 156.273 1.067 20 0 ADADRO C[C@H]1CC(C)(C)CC[C@@]1(O)CC[NH3+] 88134146 537942992 /nfs/dbraw/zinc/94/29/92/537942992.db2.gz OOFVHTUCRIXCRK-GXSJLCMTSA-N 1 0 185.311 1.913 20 0 ADADRO Cc1ccc([C@@H](O)[C@@H](C)C[NH3+])nc1 88136721 537943142 /nfs/dbraw/zinc/94/31/42/537943142.db2.gz QUYMIOPIFFFSNC-WPRPVWTQSA-N 1 0 180.251 1.018 20 0 ADADRO CC1(O)C[NH+](CC2CCCCC2)C1 91390545 537943454 /nfs/dbraw/zinc/94/34/54/537943454.db2.gz GTYOHNOCWHNARJ-UHFFFAOYSA-N 1 0 183.295 1.633 20 0 ADADRO C[C@@H](CCO)[NH2+][C@@H]1CCC[C@@H](C)C1 97603095 537944955 /nfs/dbraw/zinc/94/49/55/537944955.db2.gz MWCSNLFGEAGZLM-OUAUKWLOSA-N 1 0 185.311 1.926 20 0 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KHVJZKIFJMVULY-JTQLQIEISA-N 1 0 193.294 1.121 20 0 ADADRO C[C@@H](CCO)[NH2+]C1CCSCC1 96811308 537946460 /nfs/dbraw/zinc/94/64/60/537946460.db2.gz ZGYQCUNQVFSYGN-QMMMGPOBSA-N 1 0 189.324 1.243 20 0 ADADRO C[C@@H](CCO)[NH2+][C@@H]1CC[C@@H](C)C1 97603100 537946490 /nfs/dbraw/zinc/94/64/90/537946490.db2.gz NBZFATNDNNEZQR-KXUCPTDWSA-N 1 0 171.284 1.536 20 0 ADADRO CCCC(=O)[C@H]1CSCC[NH2+]1 101247507 537950216 /nfs/dbraw/zinc/95/02/16/537950216.db2.gz FTISAMYTORXJDG-SSDOTTSWSA-N 1 0 173.281 1.061 20 0 ADADRO CCCC(=O)[C@@H]1CSCC[NH2+]1 101247506 537950282 /nfs/dbraw/zinc/95/02/82/537950282.db2.gz FTISAMYTORXJDG-ZETCQYMHSA-N 1 0 173.281 1.061 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CC[C@H](C)O 101635645 537950823 /nfs/dbraw/zinc/95/08/23/537950823.db2.gz ZELIGSMADNESLQ-KXUCPTDWSA-N 1 0 173.300 1.782 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+][C@H](C)CO 101592678 537950848 /nfs/dbraw/zinc/95/08/48/537950848.db2.gz WOVITUBJKIXKMY-HLTSFMKQSA-N 1 0 159.273 1.391 20 0 ADADRO 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104645565 537953640 /nfs/dbraw/zinc/95/36/40/537953640.db2.gz KIBSPXZZOYMHDY-HRDYMLBCSA-N 1 0 139.242 1.914 20 0 ADADRO [NH3+][C@@H]1CC[C@@H]2CCCC[C@@H]21 104570476 537953680 /nfs/dbraw/zinc/95/36/80/537953680.db2.gz KIBSPXZZOYMHDY-XHNCKOQMSA-N 1 0 139.242 1.914 20 0 ADADRO C[NH2+]C1(C(C)=O)CCCC1 104622765 537953942 /nfs/dbraw/zinc/95/39/42/537953942.db2.gz LEPVLANSRFSGMJ-UHFFFAOYSA-N 1 0 141.214 1.108 20 0 ADADRO CCC(=O)C[C@@H]1CCC[NH2+]1 104606813 537954065 /nfs/dbraw/zinc/95/40/65/537954065.db2.gz KVICICRDQOOFQO-ZETCQYMHSA-N 1 0 141.214 1.108 20 0 ADADRO CC[C@H]1CC[C@H](CC)[NH2+]1 104604285 537954301 /nfs/dbraw/zinc/95/43/01/537954301.db2.gz RDZWGZPNDVFBBJ-YUMQZZPRSA-N 1 0 127.231 1.927 20 0 ADADRO Nc1cccc(C2([NH3+])CC2)c1 104533576 537954329 /nfs/dbraw/zinc/95/43/29/537954329.db2.gz ZZIDQSYUJFBUOR-UHFFFAOYSA-N 1 0 148.209 1.217 20 0 ADADRO C[C@H]1CC(C)([NH3+])C[C@H](C)O1 104599946 537954374 /nfs/dbraw/zinc/95/43/74/537954374.db2.gz WMIIHGCHQJIYTR-BQBZGAKWSA-N 1 0 143.230 1.291 20 0 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/nfs/dbraw/zinc/15/39/38/538153938.db2.gz RKQNTPRTXFHQGL-UHFFFAOYSA-N 1 0 179.267 1.690 20 0 ADADRO CCC[C@](C)(O)C[NH2+][C@H](C)C1CC1 165317285 538154032 /nfs/dbraw/zinc/15/40/32/538154032.db2.gz AACQAMJOICCJLD-KOLCDFICSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@](C)(O)C[NH2+]Cc1cc[nH]c1 165671052 538154130 /nfs/dbraw/zinc/15/41/30/538154130.db2.gz WJMXKQRKEWJSTE-NSHDSACASA-N 1 0 196.294 1.655 20 0 ADADRO CC[C@@H](O)CCC[NH2+][C@H](C)C1CC1 165373443 538154191 /nfs/dbraw/zinc/15/41/91/538154191.db2.gz SZWSRSAHHIPXMS-MWLCHTKSSA-N 1 0 185.311 1.926 20 0 ADADRO Cn1ccc(C[NH2+]Cc2cc[nH]c2)c1 165689360 538154232 /nfs/dbraw/zinc/15/42/32/538154232.db2.gz BDMLZELFXOHLGJ-UHFFFAOYSA-N 1 0 189.262 1.643 20 0 ADADRO CCC[C@](C)(CO)[NH2+]Cc1cc[nH]n1 165526077 538154276 /nfs/dbraw/zinc/15/42/76/538154276.db2.gz CKGZANRHJDZLTA-SNVBAGLBSA-N 1 0 197.282 1.050 20 0 ADADRO COCCCCC[NH2+]Cc1cc[nH]c1 165664049 538154330 /nfs/dbraw/zinc/15/43/30/538154330.db2.gz YNTNRAPLABQNRA-UHFFFAOYSA-N 1 0 196.294 1.921 20 0 ADADRO C[C@@H]([NH2+]CC(C)(C)CCO)C1CC1 165397340 538154429 /nfs/dbraw/zinc/15/44/29/538154429.db2.gz KVLXKRIEEQTTHO-SECBINFHSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]CCn1cncn1 165732585 538154469 /nfs/dbraw/zinc/15/44/69/538154469.db2.gz WATIRHVRSQBOMO-VHSXEESVSA-N 1 0 194.282 1.056 20 0 ADADRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)C1CC1 165320195 538154581 /nfs/dbraw/zinc/15/45/81/538154581.db2.gz KBWBHGJGAVSLGC-QXEWZRGKSA-N 1 0 185.311 1.782 20 0 ADADRO CC(C)[C@@H](CCO)[NH2+]Cc1cc[nH]c1 165685063 538154593 /nfs/dbraw/zinc/15/45/93/538154593.db2.gz VIKPNBJLHQYBRO-LLVKDONJSA-N 1 0 196.294 1.511 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C(N)=O 165722620 538154614 /nfs/dbraw/zinc/15/46/14/538154614.db2.gz ZQLXCKLDXUYDRA-RKDXNWHRSA-N 1 0 198.310 1.276 20 0 ADADRO CCC[C@](C)(CO)[NH2+]Cc1cc[nH]c1 165673638 538154635 /nfs/dbraw/zinc/15/46/35/538154635.db2.gz DFSALXWUSFBHLT-LLVKDONJSA-N 1 0 196.294 1.655 20 0 ADADRO CC(C)(CCO)C[NH2+]Cc1cc[nH]c1 165687063 538154663 /nfs/dbraw/zinc/15/46/63/538154663.db2.gz QNYZRNAKGUDUCY-UHFFFAOYSA-N 1 0 196.294 1.513 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)C1CC1 165371058 538154678 /nfs/dbraw/zinc/15/46/78/538154678.db2.gz SZCAQFFCFSRKPH-UMNHJUIQSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)C1CC1 165359869 538154688 /nfs/dbraw/zinc/15/46/88/538154688.db2.gz PKCCSKPAZFJDNN-GUBZILKMSA-N 1 0 185.311 1.782 20 0 ADADRO CC(C)C1(C[NH2+]Cc2cc[nH]n2)CC1 165599790 538154715 /nfs/dbraw/zinc/15/47/15/538154715.db2.gz UNWMXZYRLBPOOI-UHFFFAOYSA-N 1 0 193.294 1.936 20 0 ADADRO CCC1(C[NH2+]Cc2ccnn2C)CC1 165455086 538154747 /nfs/dbraw/zinc/15/47/47/538154747.db2.gz YJDMVOMPIBWTCY-UHFFFAOYSA-N 1 0 193.294 1.700 20 0 ADADRO COCCCCC[NH2+][C@@H]1CCOC1 165739221 538154909 /nfs/dbraw/zinc/15/49/09/538154909.db2.gz LISCJWYPYITRMX-SNVBAGLBSA-N 1 0 187.283 1.182 20 0 ADADRO CC(C)[C@H](CCO)[NH2+][C@H](C)C1CC1 165389073 538154964 /nfs/dbraw/zinc/15/49/64/538154964.db2.gz LFGZVHQZKGCTRJ-KOLCDFICSA-N 1 0 185.311 1.782 20 0 ADADRO COC[C@@H](C)[NH2+]CC1(C)CCC1 165445021 538155026 /nfs/dbraw/zinc/15/50/26/538155026.db2.gz WGBNJXVLOBBQRK-SECBINFHSA-N 1 0 171.284 1.801 20 0 ADADRO CCC1(C[NH2+]Cc2ccn(C)n2)CC1 165463452 538155149 /nfs/dbraw/zinc/15/51/49/538155149.db2.gz OJJSRYUWZKSAJS-UHFFFAOYSA-N 1 0 193.294 1.700 20 0 ADADRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc[nH]c1 165680357 538155187 /nfs/dbraw/zinc/15/51/87/538155187.db2.gz QTWVECQVLYMRMK-NXEZZACHSA-N 1 0 196.294 1.511 20 0 ADADRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc[nH]c1 165671737 538155319 /nfs/dbraw/zinc/15/53/19/538155319.db2.gz IFHGXSGGGVMGCH-ONGXEEELSA-N 1 0 196.294 1.511 20 0 ADADRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc[nH]c1 165671512 538155363 /nfs/dbraw/zinc/15/53/63/538155363.db2.gz IFHGXSGGGVMGCH-GXSJLCMTSA-N 1 0 196.294 1.511 20 0 ADADRO C[C@H](O)C[C@@H](C)C[NH2+][C@@H](C)C1CC1 165360000 538155385 /nfs/dbraw/zinc/15/53/85/538155385.db2.gz PKCCSKPAZFJDNN-UTLUCORTSA-N 1 0 185.311 1.782 20 0 ADADRO c1cc(C[NH2+]CCOCC2CC2)c[nH]1 165669250 538155401 /nfs/dbraw/zinc/15/54/01/538155401.db2.gz RMMPVTKJYHGWPO-UHFFFAOYSA-N 1 0 194.278 1.531 20 0 ADADRO CCC1(C[NH2+]Cc2ncc[nH]2)CC1 165469893 538155444 /nfs/dbraw/zinc/15/54/44/538155444.db2.gz FIEBOQYSSIRKPZ-UHFFFAOYSA-N 1 0 179.267 1.690 20 0 ADADRO CCC[C@@](C)(CO)[NH2+]Cc1cc[nH]c1 165673509 538155516 /nfs/dbraw/zinc/15/55/16/538155516.db2.gz DFSALXWUSFBHLT-NSHDSACASA-N 1 0 196.294 1.655 20 0 ADADRO CCC1(C[NH2+]Cc2cnn(C)c2)CC1 165470023 538155591 /nfs/dbraw/zinc/15/55/91/538155591.db2.gz LMDSCMWOXOLJCS-UHFFFAOYSA-N 1 0 193.294 1.700 20 0 ADADRO C[C@H](O)C[C@@H](C)C[NH2+]Cc1cc[nH]c1 165680587 538155601 /nfs/dbraw/zinc/15/56/01/538155601.db2.gz QTWVECQVLYMRMK-ZJUUUORDSA-N 1 0 196.294 1.511 20 0 ADADRO CCC[N@@H+]1CCC[C@H]1COC 165770352 538155630 /nfs/dbraw/zinc/15/56/30/538155630.db2.gz IEDPUZPEOSXRSZ-VIFPVBQESA-N 1 0 157.257 1.507 20 0 ADADRO CCC1(C[NH2+]Cc2cnnn2C)CC1 165510225 538155662 /nfs/dbraw/zinc/15/56/62/538155662.db2.gz SQLXWGYYZCVTHC-UHFFFAOYSA-N 1 0 194.282 1.095 20 0 ADADRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)C1CC1 165319964 538155679 /nfs/dbraw/zinc/15/56/79/538155679.db2.gz KBWBHGJGAVSLGC-ATZCPNFKSA-N 1 0 185.311 1.782 20 0 ADADRO CC[C@H](O)CCC[NH2+]Cc1cc[nH]c1 165682934 538155714 /nfs/dbraw/zinc/15/57/14/538155714.db2.gz HRFUESXHGGDSTJ-NSHDSACASA-N 1 0 196.294 1.655 20 0 ADADRO CC[C@@H](O)CCC[NH2+][C@@H](C)C1CC1 165373212 538155777 /nfs/dbraw/zinc/15/57/77/538155777.db2.gz SZWSRSAHHIPXMS-GXSJLCMTSA-N 1 0 185.311 1.926 20 0 ADADRO CCC1(C[NH2+][C@@H](C)COC)CC1 165443340 538155945 /nfs/dbraw/zinc/15/59/45/538155945.db2.gz HWSCUFRIPGMEJX-VIFPVBQESA-N 1 0 171.284 1.801 20 0 ADADRO CCC[C@@](C)(O)C[NH2+]Cc1cc[nH]c1 165671173 538156005 /nfs/dbraw/zinc/15/60/05/538156005.db2.gz WJMXKQRKEWJSTE-LLVKDONJSA-N 1 0 196.294 1.655 20 0 ADADRO CC[C@H](O)CCC[NH2+][C@H](C)C1CC1 165373329 538156012 /nfs/dbraw/zinc/15/60/12/538156012.db2.gz SZWSRSAHHIPXMS-KOLCDFICSA-N 1 0 185.311 1.926 20 0 ADADRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C1CC1 165388683 538156033 /nfs/dbraw/zinc/15/60/33/538156033.db2.gz LFGZVHQZKGCTRJ-GXSJLCMTSA-N 1 0 185.311 1.782 20 0 ADADRO CCCC[NH2+][C@H]1CCCC[C@H]1C(N)=O 166076429 538156433 /nfs/dbraw/zinc/15/64/33/538156433.db2.gz VASSVSHTCDHMTL-ZJUUUORDSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@@](C)(CCO)[NH2+]Cc1cc[nH]c1 166040158 538156451 /nfs/dbraw/zinc/15/64/51/538156451.db2.gz TVESRLPMOPSKNF-NSHDSACASA-N 1 0 196.294 1.655 20 0 ADADRO CCCC1(C[NH2+][C@H]2CCOC2)CC1 165975072 538156507 /nfs/dbraw/zinc/15/65/07/538156507.db2.gz QJJHFEGAPQCYDR-JTQLQIEISA-N 1 0 183.295 1.945 20 0 ADADRO CC(C)[C@@H]([NH2+]CCCO)C1CC1 166264712 538156633 /nfs/dbraw/zinc/15/66/33/538156633.db2.gz NENKKXCTOBOXJZ-SNVBAGLBSA-N 1 0 171.284 1.393 20 0 ADADRO CC[C@](C)(CCO)[NH2+]Cc1cc[nH]n1 166038200 538156671 /nfs/dbraw/zinc/15/66/71/538156671.db2.gz FNPDUQSRDGEQTF-SNVBAGLBSA-N 1 0 197.282 1.050 20 0 ADADRO CC(C)CCC[N@H+](C)C[C@H](C)O 166041358 538156693 /nfs/dbraw/zinc/15/66/93/538156693.db2.gz YSZOYDDLKHATDM-JTQLQIEISA-N 1 0 173.300 1.735 20 0 ADADRO CC[C@@H]([NH2+]C1CC1)[C@@H]1CCOC1 166197202 538156785 /nfs/dbraw/zinc/15/67/85/538156785.db2.gz JPQUHMAEUWULKI-PSASIEDQSA-N 1 0 169.268 1.554 20 0 ADADRO CCC1(C[NH2+][C@@H]2CCOC2)CC1 165839147 538156838 /nfs/dbraw/zinc/15/68/38/538156838.db2.gz ILKRMNIHVMJGPE-SECBINFHSA-N 1 0 169.268 1.555 20 0 ADADRO CCC1(C[NH2+][C@H]2CCOC2)CCC1 165841628 538156956 /nfs/dbraw/zinc/15/69/56/538156956.db2.gz RHKZEXVMHFPUFD-JTQLQIEISA-N 1 0 183.295 1.945 20 0 ADADRO CCCC[C@@H](COC)[NH2+]CCCO 166259199 538157022 /nfs/dbraw/zinc/15/70/22/538157022.db2.gz HLPNQVPUNFAKOB-JTQLQIEISA-N 1 0 189.299 1.164 20 0 ADADRO CC[C@H]([NH2+]C1CC1)[C@@H]1CCOC1 166197087 538157055 /nfs/dbraw/zinc/15/70/55/538157055.db2.gz JPQUHMAEUWULKI-SCZZXKLOSA-N 1 0 169.268 1.554 20 0 ADADRO CCCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O 166076173 538157121 /nfs/dbraw/zinc/15/71/21/538157121.db2.gz VASSVSHTCDHMTL-UWVGGRQHSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H]([NH2+]CCCO)c1cncc(F)c1 166261136 538157134 /nfs/dbraw/zinc/15/71/34/538157134.db2.gz NXZVZYVJUZZSLQ-MRVPVSSYSA-N 1 0 198.241 1.254 20 0 ADADRO CC[C@](C)(CCO)[NH2+]Cc1ncc[nH]1 166039484 538157156 /nfs/dbraw/zinc/15/71/56/538157156.db2.gz FHQGZVCLVYBXJT-SNVBAGLBSA-N 1 0 197.282 1.050 20 0 ADADRO CC[C@H]([NH2+]C1CC1)[C@H]1CCOC1 166197321 538157228 /nfs/dbraw/zinc/15/72/28/538157228.db2.gz JPQUHMAEUWULKI-WPRPVWTQSA-N 1 0 169.268 1.554 20 0 ADADRO CC[N@H+](CCO)CCCC(C)C 166039617 538157267 /nfs/dbraw/zinc/15/72/67/538157267.db2.gz VPFGTJLVWIMDAC-UHFFFAOYSA-N 1 0 173.300 1.737 20 0 ADADRO CCCC[C@H](COC)[NH2+]CCCO 166259317 538157525 /nfs/dbraw/zinc/15/75/25/538157525.db2.gz HLPNQVPUNFAKOB-SNVBAGLBSA-N 1 0 189.299 1.164 20 0 ADADRO CC[C@](C)(CCO)[NH2+]Cc1ccco1 166043819 538157540 /nfs/dbraw/zinc/15/75/40/538157540.db2.gz YZKYPMCTUITQPK-LLVKDONJSA-N 1 0 197.278 1.920 20 0 ADADRO C1=CCN(CC[NH2+]C2CCCC2)CC1 166121415 538157637 /nfs/dbraw/zinc/15/76/37/538157637.db2.gz BVNSRORKRHVSGR-UHFFFAOYSA-N 1 0 194.322 1.781 20 0 ADADRO CC(C)CCC[N@@H+]1CCC[C@@H]1CO 166040549 538157665 /nfs/dbraw/zinc/15/76/65/538157665.db2.gz AIDUSAJPBHHURO-LLVKDONJSA-N 1 0 185.311 1.879 20 0 ADADRO CC(C)[C@H]([NH2+]CCCO)C1CC1 166264597 538157828 /nfs/dbraw/zinc/15/78/28/538157828.db2.gz NENKKXCTOBOXJZ-JTQLQIEISA-N 1 0 171.284 1.393 20 0 ADADRO CCC1(C[NH2+][C@H]2CCOC2)CC1 165839271 538157850 /nfs/dbraw/zinc/15/78/50/538157850.db2.gz ILKRMNIHVMJGPE-VIFPVBQESA-N 1 0 169.268 1.555 20 0 ADADRO CC[C@@](C)(CCO)[NH2+]Cc1ccco1 166043700 538157874 /nfs/dbraw/zinc/15/78/74/538157874.db2.gz YZKYPMCTUITQPK-NSHDSACASA-N 1 0 197.278 1.920 20 0 ADADRO CC[C@@H]([NH2+]C1CC1)[C@H]1CCOC1 166197443 538157885 /nfs/dbraw/zinc/15/78/85/538157885.db2.gz JPQUHMAEUWULKI-WCBMZHEXSA-N 1 0 169.268 1.554 20 0 ADADRO CCC[N@@H+]1CCC[C@@H]1COC 165864786 538157924 /nfs/dbraw/zinc/15/79/24/538157924.db2.gz IEDPUZPEOSXRSZ-SECBINFHSA-N 1 0 157.257 1.507 20 0 ADADRO CC[C@@H]([NH2+]C1CC1)c1cnn(C)c1 166189288 538157943 /nfs/dbraw/zinc/15/79/43/538157943.db2.gz XHKLPUKQCBIUQZ-SNVBAGLBSA-N 1 0 179.267 1.623 20 0 ADADRO CC(C)CCC[N@H+](CCO)C1CC1 166038581 538158115 /nfs/dbraw/zinc/15/81/15/538158115.db2.gz UGFQPSOJMCXTRC-UHFFFAOYSA-N 1 0 185.311 1.879 20 0 ADADRO CC(C)CCC[N@@H+]1CCC[C@H]1CO 166040683 538158361 /nfs/dbraw/zinc/15/83/61/538158361.db2.gz AIDUSAJPBHHURO-NSHDSACASA-N 1 0 185.311 1.879 20 0 ADADRO CCCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O 166076052 538158397 /nfs/dbraw/zinc/15/83/97/538158397.db2.gz VASSVSHTCDHMTL-VHSXEESVSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H]([NH2+]C1CC1)c1cnn(C)c1 166189176 538158694 /nfs/dbraw/zinc/15/86/94/538158694.db2.gz XHKLPUKQCBIUQZ-JTQLQIEISA-N 1 0 179.267 1.623 20 0 ADADRO CCCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O 166076307 538158975 /nfs/dbraw/zinc/15/89/75/538158975.db2.gz VASSVSHTCDHMTL-NXEZZACHSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@](C)(CCO)[NH2+]Cc1cc[nH]c1 166040255 538159041 /nfs/dbraw/zinc/15/90/41/538159041.db2.gz TVESRLPMOPSKNF-LLVKDONJSA-N 1 0 196.294 1.655 20 0 ADADRO CCc1ccc([C@H](C)[NH2+]CCCO)o1 166266467 538159091 /nfs/dbraw/zinc/15/90/91/538159091.db2.gz JBYCFAWNIAZLKH-VIFPVBQESA-N 1 0 197.278 1.875 20 0 ADADRO CC(C)(C)CC[NH2+]CC1(CO)CC1 166099300 538159212 /nfs/dbraw/zinc/15/92/12/538159212.db2.gz RYZONMOZALXEOV-UHFFFAOYSA-N 1 0 185.311 1.785 20 0 ADADRO C[C@H]1C[C@@H]([NH2+][C@H](C)CO)CC[C@H]1C 166014269 538159235 /nfs/dbraw/zinc/15/92/35/538159235.db2.gz SDBFFHBRTMXCJC-YTWAJWBKSA-N 1 0 185.311 1.782 20 0 ADADRO CCCC1(C[NH2+][C@@H]2CCOC2)CC1 165974950 538159247 /nfs/dbraw/zinc/15/92/47/538159247.db2.gz QJJHFEGAPQCYDR-SNVBAGLBSA-N 1 0 183.295 1.945 20 0 ADADRO CC[C@@](C)(CCO)[NH2+]Cc1ncc[nH]1 166039355 538159255 /nfs/dbraw/zinc/15/92/55/538159255.db2.gz FHQGZVCLVYBXJT-JTQLQIEISA-N 1 0 197.282 1.050 20 0 ADADRO CCC1(C[NH2+][C@@H]2CCOC2)CCC1 165841508 538159301 /nfs/dbraw/zinc/15/93/01/538159301.db2.gz RHKZEXVMHFPUFD-SNVBAGLBSA-N 1 0 183.295 1.945 20 0 ADADRO CC[C@@](C)(CCO)[NH2+]Cc1cc[nH]n1 166038078 538159453 /nfs/dbraw/zinc/15/94/53/538159453.db2.gz FNPDUQSRDGEQTF-JTQLQIEISA-N 1 0 197.282 1.050 20 0 ADADRO CCc1ccc([C@@H](C)[NH2+]CCCO)o1 166266334 538159492 /nfs/dbraw/zinc/15/94/92/538159492.db2.gz JBYCFAWNIAZLKH-SECBINFHSA-N 1 0 197.278 1.875 20 0 ADADRO C[C@H]([NH2+]CCCO)c1cncc(F)c1 166261019 538159557 /nfs/dbraw/zinc/15/95/57/538159557.db2.gz NXZVZYVJUZZSLQ-QMMMGPOBSA-N 1 0 198.241 1.254 20 0 ADADRO CC1CC([NH2+][C@@H](C)C(C)(C)O)C1 166645936 538159786 /nfs/dbraw/zinc/15/97/86/538159786.db2.gz CMGKPIYAQLWPHN-MGURRDGZSA-N 1 0 171.284 1.534 20 0 ADADRO CCC[C@H](C)[NH2+]Cc1nncn1CC 166621518 538159855 /nfs/dbraw/zinc/15/98/55/538159855.db2.gz YRIPFARJSQLOSI-VIFPVBQESA-N 1 0 196.298 1.576 20 0 ADADRO CC(C)=CCC[C@@H](C)[NH2+]CCO 166478647 538159959 /nfs/dbraw/zinc/15/99/59/538159959.db2.gz OOWWHKQXFUSMCY-SNVBAGLBSA-N 1 0 171.284 1.703 20 0 ADADRO CCn1cnnc1C[NH2+][C@@H](C)C(C)C 166620849 538160000 /nfs/dbraw/zinc/16/00/00/538160000.db2.gz JKMHDYDUTJCGGO-VIFPVBQESA-N 1 0 196.298 1.432 20 0 ADADRO CC[C@@H]([NH2+]CCOC)c1cnn(C)c1 166308915 538160014 /nfs/dbraw/zinc/16/00/14/538160014.db2.gz DBDZSBOOQDJJNV-SNVBAGLBSA-N 1 0 197.282 1.107 20 0 ADADRO CC1CC([NH2+]CCOC(C)C)C1 166651735 538160133 /nfs/dbraw/zinc/16/01/33/538160133.db2.gz PRHQXXSVSOMJRZ-UHFFFAOYSA-N 1 0 171.284 1.800 20 0 ADADRO COC[C@H](C)C[NH2+]C1CC(C)C1 166623656 538160213 /nfs/dbraw/zinc/16/02/13/538160213.db2.gz KUGVGRQWPPDNGX-HWOCKDDLSA-N 1 0 171.284 1.657 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C 166643891 538160239 /nfs/dbraw/zinc/16/02/39/538160239.db2.gz VSSKCTCKVGPERR-CMPLNLGQSA-N 1 0 198.354 1.961 20 0 ADADRO COCC[NH2+][C@@H](C)C1CCOCC1 166317050 538160430 /nfs/dbraw/zinc/16/04/30/538160430.db2.gz YKDJVZRHXZZCBW-VIFPVBQESA-N 1 0 187.283 1.038 20 0 ADADRO CC[C@@](C)(O)C[NH2+]C1CC(C)C1 166631557 538160511 /nfs/dbraw/zinc/16/05/11/538160511.db2.gz LUACSQVWRJKWGO-UDNWOFFPSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 166577395 538160531 /nfs/dbraw/zinc/16/05/31/538160531.db2.gz RCRWCCXLXZIDGP-MNOVXSKESA-N 1 0 185.311 1.879 20 0 ADADRO COCC[NH2+][C@H](C)C1CCOCC1 166317170 538160564 /nfs/dbraw/zinc/16/05/64/538160564.db2.gz YKDJVZRHXZZCBW-SECBINFHSA-N 1 0 187.283 1.038 20 0 ADADRO CC[C@H]([NH2+]CCOC)[C@@H]1CCOC1 166314078 538160573 /nfs/dbraw/zinc/16/05/73/538160573.db2.gz RHYHJICMGVQDCU-ZJUUUORDSA-N 1 0 187.283 1.038 20 0 ADADRO CC[C@H]([NH2+]CCOC)c1cnn(C)c1 166308799 538160657 /nfs/dbraw/zinc/16/06/57/538160657.db2.gz DBDZSBOOQDJJNV-JTQLQIEISA-N 1 0 197.282 1.107 20 0 ADADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C(N)=O 166524192 538160715 /nfs/dbraw/zinc/16/07/15/538160715.db2.gz QHPOEARQIQSBIQ-VHSXEESVSA-N 1 0 198.310 1.585 20 0 ADADRO CCC(O)(CC)C[NH2+]C1CC(C)C1 166627894 538160727 /nfs/dbraw/zinc/16/07/27/538160727.db2.gz ITGYLYOWKNWLHB-UHFFFAOYSA-N 1 0 185.311 1.926 20 0 ADADRO CC1CC([NH2+]CCCn2ccnc2)C1 166612098 538160799 /nfs/dbraw/zinc/16/07/99/538160799.db2.gz IKMOZDRTTRBARB-UHFFFAOYSA-N 1 0 193.294 1.661 20 0 ADADRO Cc1cccc([C@H](C)[NH2+]CCO)c1C 166476308 538160864 /nfs/dbraw/zinc/16/08/64/538160864.db2.gz MIJWGDUHFDOGRP-NSHDSACASA-N 1 0 193.290 1.946 20 0 ADADRO CC[C@H]([NH2+]CCOC)[C@H]1CCOC1 166314315 538160916 /nfs/dbraw/zinc/16/09/16/538160916.db2.gz RHYHJICMGVQDCU-UWVGGRQHSA-N 1 0 187.283 1.038 20 0 ADADRO COCCOCC[NH2+]C1CC(C)C1 166623314 538161027 /nfs/dbraw/zinc/16/10/27/538161027.db2.gz MXTFHOULKJKQII-UHFFFAOYSA-N 1 0 187.283 1.038 20 0 ADADRO CC(C)[C@H]([NH2+]CCO)C1CC1 166498111 538161065 /nfs/dbraw/zinc/16/10/65/538161065.db2.gz FTEGCQOPDBZJIU-VIFPVBQESA-N 1 0 157.257 1.003 20 0 ADADRO CC[C@@H]([NH2+]CCOC)[C@@H]1CCOC1 166314198 538161097 /nfs/dbraw/zinc/16/10/97/538161097.db2.gz RHYHJICMGVQDCU-NXEZZACHSA-N 1 0 187.283 1.038 20 0 ADADRO CC1CC([NH2+]C[C@@H](C)CO)C1 166623081 538161108 /nfs/dbraw/zinc/16/11/08/538161108.db2.gz KRUOJTUGLGGVJF-QJAFJHJLSA-N 1 0 157.257 1.003 20 0 ADADRO COCC[NH2+][C@@H](C(C)C)C1CC1 166315974 538161137 /nfs/dbraw/zinc/16/11/37/538161137.db2.gz NJAMRMQZDVFOIM-JTQLQIEISA-N 1 0 171.284 1.657 20 0 ADADRO C[C@@H](CCCC(F)(F)F)[NH2+]CCO 166656955 538161372 /nfs/dbraw/zinc/16/13/72/538161372.db2.gz ASJVDOFZBWHRLF-ZETCQYMHSA-N 1 0 199.216 1.689 20 0 ADADRO CC[C@](C)(O)C[NH2+]C1CC(C)C1 166631451 538161441 /nfs/dbraw/zinc/16/14/41/538161441.db2.gz LUACSQVWRJKWGO-RTBKNWGFSA-N 1 0 171.284 1.536 20 0 ADADRO CC(C)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C 166643769 538161450 /nfs/dbraw/zinc/16/14/50/538161450.db2.gz VSSKCTCKVGPERR-ZYHUDNBSSA-N 1 0 198.354 1.961 20 0 ADADRO OCC[NH2+][C@@H]1CCc2ccc(F)cc21 166488744 538161514 /nfs/dbraw/zinc/16/15/14/538161514.db2.gz ZDJWWLCOJQEQOT-LLVKDONJSA-N 1 0 195.237 1.395 20 0 ADADRO CC1CC([NH2+]CCCF)C1 166641689 538161592 /nfs/dbraw/zinc/16/15/92/538161592.db2.gz OEVQDOSBOJYSJG-UHFFFAOYSA-N 1 0 145.221 1.734 20 0 ADADRO CCc1ccc([C@@H](C)[NH2+]CCO)o1 166500685 538161635 /nfs/dbraw/zinc/16/16/35/538161635.db2.gz FVRYDNCRDJWNHS-MRVPVSSYSA-N 1 0 183.251 1.485 20 0 ADADRO CC1CC([NH2+]C[C@](C)(O)C(C)C)C1 166632038 538161732 /nfs/dbraw/zinc/16/17/32/538161732.db2.gz 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/nfs/dbraw/zinc/20/92/76/538209276.db2.gz SDAWOXSDZPQRTJ-JTQLQIEISA-N 1 0 198.310 1.372 20 0 ADADRO CCC(=O)N(CC)CCC[NH+](C)C 230420714 538210148 /nfs/dbraw/zinc/21/01/48/538210148.db2.gz NUNJFKZNKJFAKJ-UHFFFAOYSA-N 1 0 186.299 1.197 20 0 ADADRO CCCC[NH2+]C(C)(C)CC(N)=O 230649947 538210247 /nfs/dbraw/zinc/21/02/47/538210247.db2.gz KJAJCPUSPZSWBI-UHFFFAOYSA-N 1 0 172.272 1.030 20 0 ADADRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ncc[nH]1 230656204 538210275 /nfs/dbraw/zinc/21/02/75/538210275.db2.gz MAFHXSWDDNSRGV-NXEZZACHSA-N 1 0 193.294 1.936 20 0 ADADRO COC[C@H]([NH2+]Cc1ccno1)C(C)C 230627797 538210388 /nfs/dbraw/zinc/21/03/88/538210388.db2.gz UGGOVIOFJTWGKA-JTQLQIEISA-N 1 0 198.266 1.435 20 0 ADADRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 230617076 538210406 /nfs/dbraw/zinc/21/04/06/538210406.db2.gz YNCMETMRYJLVKQ-JGVFFNPUSA-N 1 0 197.282 1.902 20 0 ADADRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc[nH]n1 230649628 538210558 /nfs/dbraw/zinc/21/05/58/538210558.db2.gz IAVPDCZJAGPZSH-UWVGGRQHSA-N 1 0 193.294 1.936 20 0 ADADRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc[nH]n1 230649625 538210617 /nfs/dbraw/zinc/21/06/17/538210617.db2.gz IAVPDCZJAGPZSH-ZJUUUORDSA-N 1 0 193.294 1.936 20 0 ADADRO CC(C)CC[NH2+]C(C)(C)CC(N)=O 230651077 538210724 /nfs/dbraw/zinc/21/07/24/538210724.db2.gz HLTIYHJMUZYSAJ-UHFFFAOYSA-N 1 0 186.299 1.276 20 0 ADADRO COC[C@H]([NH2+]CC=C(C)C)C1CC1 230618197 538210836 /nfs/dbraw/zinc/21/08/36/538210836.db2.gz SEOJQITWOABSQY-NSHDSACASA-N 1 0 183.295 1.967 20 0 ADADRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc[nH]n1 230649617 538210843 /nfs/dbraw/zinc/21/08/43/538210843.db2.gz IAVPDCZJAGPZSH-VHSXEESVSA-N 1 0 193.294 1.936 20 0 ADADRO CCCC(=O)[C@@H]([NH3+])C1CC1 230528676 538211040 /nfs/dbraw/zinc/21/10/40/538211040.db2.gz BBRNXCJAPBAZEN-QMMMGPOBSA-N 1 0 141.214 1.093 20 0 ADADRO CC(C)(CC(N)=O)[NH2+][C@H]1C=CCCC1 230650851 538211072 /nfs/dbraw/zinc/21/10/72/538211072.db2.gz IRYFVISKDTZQDF-VIFPVBQESA-N 1 0 196.294 1.339 20 0 ADADRO COC[C@@H]([NH2+]Cc1ccno1)C(C)C 230627788 538211116 /nfs/dbraw/zinc/21/11/16/538211116.db2.gz UGGOVIOFJTWGKA-SNVBAGLBSA-N 1 0 198.266 1.435 20 0 ADADRO CC(C)(CC(N)=O)[NH2+]CC1CCCC1 230651655 538211249 /nfs/dbraw/zinc/21/12/49/538211249.db2.gz PYPJULJJDPPTCH-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO COC[C@H]([NH2+]Cc1ccno1)C1CC1 230618125 538211309 /nfs/dbraw/zinc/21/13/09/538211309.db2.gz ZARGJIXEESYUKW-JTQLQIEISA-N 1 0 196.250 1.189 20 0 ADADRO CC(C)(CC(N)=O)[NH2+][C@@H]1C=CCCC1 230650843 538211370 /nfs/dbraw/zinc/21/13/70/538211370.db2.gz IRYFVISKDTZQDF-SECBINFHSA-N 1 0 196.294 1.339 20 0 ADADRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ncc[nH]1 230656217 538211480 /nfs/dbraw/zinc/21/14/80/538211480.db2.gz MAFHXSWDDNSRGV-UWVGGRQHSA-N 1 0 193.294 1.936 20 0 ADADRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc[nH]n1 230649613 538211498 /nfs/dbraw/zinc/21/14/98/538211498.db2.gz IAVPDCZJAGPZSH-NXEZZACHSA-N 1 0 193.294 1.936 20 0 ADADRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ncc[nH]1 230656206 538211802 /nfs/dbraw/zinc/21/18/02/538211802.db2.gz MAFHXSWDDNSRGV-VHSXEESVSA-N 1 0 193.294 1.936 20 0 ADADRO COC[C@@H]([NH2+]CC=C(C)C)C1CC1 230618191 538211895 /nfs/dbraw/zinc/21/18/95/538211895.db2.gz SEOJQITWOABSQY-LLVKDONJSA-N 1 0 183.295 1.967 20 0 ADADRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCOC2)C1 230413771 538211934 /nfs/dbraw/zinc/21/19/34/538211934.db2.gz CPTWCXIXZHGRLQ-OUAUKWLOSA-N 1 0 183.295 1.801 20 0 ADADRO CCCC(=O)[C@H]([NH3+])C1CC1 230528637 538212009 /nfs/dbraw/zinc/21/20/09/538212009.db2.gz BBRNXCJAPBAZEN-MRVPVSSYSA-N 1 0 141.214 1.093 20 0 ADADRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ncc[nH]1 230656212 538212071 /nfs/dbraw/zinc/21/20/71/538212071.db2.gz MAFHXSWDDNSRGV-ZJUUUORDSA-N 1 0 193.294 1.936 20 0 ADADRO Cn1ncnc1C[NH2+]C(C)(C)C1CC1 230623126 538212221 /nfs/dbraw/zinc/21/22/21/538212221.db2.gz LLRKKRIZYMPJNM-UHFFFAOYSA-N 1 0 194.282 1.093 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 230617096 538212239 /nfs/dbraw/zinc/21/22/39/538212239.db2.gz YNCMETMRYJLVKQ-YUMQZZPRSA-N 1 0 197.282 1.902 20 0 ADADRO CC(C)(CC(N)=O)[NH2+]CCC1CC1 230652479 538212274 /nfs/dbraw/zinc/21/22/74/538212274.db2.gz VZMDRZSLFDAFNS-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)(CC(N)=O)[NH2+]CC1CCC1 230650053 538212406 /nfs/dbraw/zinc/21/24/06/538212406.db2.gz QERMYZVAMALPEM-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@H](C)C[NH2+]C(C)(C)CC(N)=O 230651879 538212447 /nfs/dbraw/zinc/21/24/47/538212447.db2.gz KNLZUZRCUIQHNR-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 230413766 538212607 /nfs/dbraw/zinc/21/26/07/538212607.db2.gz CPTWCXIXZHGRLQ-GMTAPVOTSA-N 1 0 183.295 1.801 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 230617087 538212698 /nfs/dbraw/zinc/21/26/98/538212698.db2.gz YNCMETMRYJLVKQ-SFYZADRCSA-N 1 0 197.282 1.902 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 230617069 538212773 /nfs/dbraw/zinc/21/27/73/538212773.db2.gz YNCMETMRYJLVKQ-HTQZYQBOSA-N 1 0 197.282 1.902 20 0 ADADRO CC(C)=CC[NH2+]C(C)(C)CC(N)=O 230651629 538212899 /nfs/dbraw/zinc/21/28/99/538212899.db2.gz FPMYMOQKEKWNPG-UHFFFAOYSA-N 1 0 184.283 1.196 20 0 ADADRO CC[C@@H](C)C[NH2+]C(C)(C)CC(N)=O 230651870 538212952 /nfs/dbraw/zinc/21/29/52/538212952.db2.gz KNLZUZRCUIQHNR-MRVPVSSYSA-N 1 0 186.299 1.276 20 0 ADADRO COC[C@@H]([NH2+]Cc1ccno1)C1CC1 230618115 538212991 /nfs/dbraw/zinc/21/29/91/538212991.db2.gz ZARGJIXEESYUKW-SNVBAGLBSA-N 1 0 196.250 1.189 20 0 ADADRO COC1CC([NH2+]CC(C)(C)C)C1 230690777 538213267 /nfs/dbraw/zinc/21/32/67/538213267.db2.gz DKFWWFGJRDOHNC-UHFFFAOYSA-N 1 0 171.284 1.800 20 0 ADADRO COC1CC([NH2+][C@H](C)[C@@H]2CCOC2)C1 230675158 538213280 /nfs/dbraw/zinc/21/32/80/538213280.db2.gz CPMBQZLXJZCZNV-NKVNRFPTSA-N 1 0 199.294 1.178 20 0 ADADRO CC[C@@H](COC)[NH2+]C1CC(OC)C1 230675396 538215830 /nfs/dbraw/zinc/21/58/30/538215830.db2.gz YBLLJGNHZSJQKE-IDKOKCKLSA-N 1 0 187.283 1.178 20 0 ADADRO COC[C@@H]([NH2+]C1CC(OC)C1)C1CC1 230673522 538213295 /nfs/dbraw/zinc/21/32/95/538213295.db2.gz PKNMCUFNZSOBCS-VQXHTEKXSA-N 1 0 199.294 1.178 20 0 ADADRO COC1CC([NH2+]C[C@@H]2CCCOC2)C1 230690144 538213425 /nfs/dbraw/zinc/21/34/25/538213425.db2.gz ZADWZGMEPCHQJK-WHXUTIOJSA-N 1 0 199.294 1.180 20 0 ADADRO CC[C@H](C)C[NH2+]CCc1ccn(C)n1 230881501 538213690 /nfs/dbraw/zinc/21/36/90/538213690.db2.gz DGUFRFQBPYIFHQ-JTQLQIEISA-N 1 0 195.310 1.598 20 0 ADADRO COC1CC([NH2+]C(C2CC2)C2CC2)C1 230675255 538213812 /nfs/dbraw/zinc/21/38/12/538213812.db2.gz DWUNSBDEHTZZOU-UHFFFAOYSA-N 1 0 195.306 1.942 20 0 ADADRO COC1CC([NH2+][C@H](C)[C@@H](C)OC)C1 230674166 538214051 /nfs/dbraw/zinc/21/40/51/538214051.db2.gz SGKHVXRGOCSOOM-LGUIWLBCSA-N 1 0 187.283 1.177 20 0 ADADRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1 230666679 538214059 /nfs/dbraw/zinc/21/40/59/538214059.db2.gz OYNXBPVVFBZTAD-GMTAPVOTSA-N 1 0 183.295 1.801 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]CCc1cnn(C)c1 230758992 538214145 /nfs/dbraw/zinc/21/41/45/538214145.db2.gz IRAMZVMTMKOFSD-KOLCDFICSA-N 1 0 193.294 1.208 20 0 ADADRO O=C1CCCCC(=O)C1[C@H]1CCC[NH2+]1 230796522 538214159 /nfs/dbraw/zinc/21/41/59/538214159.db2.gz AHWBJSWRAKOFCA-MRVPVSSYSA-N 1 0 195.262 1.067 20 0 ADADRO COC1CC([NH2+]Cc2occc2C)C1 230690038 538214170 /nfs/dbraw/zinc/21/41/70/538214170.db2.gz GXKANQOFJLCAQX-UHFFFAOYSA-N 1 0 195.262 1.855 20 0 ADADRO COC1CC([NH2+]C[C@H]2CCCOC2)C1 230690148 538214198 /nfs/dbraw/zinc/21/41/98/538214198.db2.gz ZADWZGMEPCHQJK-KPPDAEKUSA-N 1 0 199.294 1.180 20 0 ADADRO COC1CC([NH2+][C@H](C)[C@H]2CCOC2)C1 230675164 538214297 /nfs/dbraw/zinc/21/42/97/538214297.db2.gz CPMBQZLXJZCZNV-MFQSTILNSA-N 1 0 199.294 1.178 20 0 ADADRO COC1CC([NH2+][C@@H](C)[C@@H]2CCOC2)C1 230675154 538214312 /nfs/dbraw/zinc/21/43/12/538214312.db2.gz CPMBQZLXJZCZNV-IZUQBHJASA-N 1 0 199.294 1.178 20 0 ADADRO CCC[C@@H](C)[NH2+]C1CC(OC)C1 230673856 538214376 /nfs/dbraw/zinc/21/43/76/538214376.db2.gz ONLOYXMTZPTPSG-XNWIYYODSA-N 1 0 171.284 1.942 20 0 ADADRO COC1CC([NH2+]Cc2ccco2)C1 230689747 538214421 /nfs/dbraw/zinc/21/44/21/538214421.db2.gz BTSZJCHDZNKMNR-UHFFFAOYSA-N 1 0 181.235 1.547 20 0 ADADRO COC1CC([NH2+]Cc2nccs2)C1 230689486 538214491 /nfs/dbraw/zinc/21/44/91/538214491.db2.gz IIKNLMJQLUWQGU-UHFFFAOYSA-N 1 0 198.291 1.410 20 0 ADADRO COC1CC([NH2+]CC2CCCC2)C1 230690660 538214559 /nfs/dbraw/zinc/21/45/59/538214559.db2.gz OWSMROVDZFWBNQ-UHFFFAOYSA-N 1 0 183.295 1.944 20 0 ADADRO COC1CC([NH2+][C@H](C)[C@H](C)OC)C1 230674160 538214637 /nfs/dbraw/zinc/21/46/37/538214637.db2.gz SGKHVXRGOCSOOM-XHHQTKHESA-N 1 0 187.283 1.177 20 0 ADADRO COC[C@H]([NH2+]C1CC(OC)C1)C1CC1 230673526 538214727 /nfs/dbraw/zinc/21/47/27/538214727.db2.gz PKNMCUFNZSOBCS-ILDUYXDCSA-N 1 0 199.294 1.178 20 0 ADADRO Cn1ccc(CC[NH2+]CC(C)(C)C)n1 230880839 538214830 /nfs/dbraw/zinc/21/48/30/538214830.db2.gz FPNVVPVJVCFKHJ-UHFFFAOYSA-N 1 0 195.310 1.598 20 0 ADADRO CC[C@@H](C)C[NH2+]CCc1ccn(C)n1 230881495 538215037 /nfs/dbraw/zinc/21/50/37/538215037.db2.gz DGUFRFQBPYIFHQ-SNVBAGLBSA-N 1 0 195.310 1.598 20 0 ADADRO CCC[C@H](C)[NH2+]C1CC(OC)C1 230673861 538215145 /nfs/dbraw/zinc/21/51/45/538215145.db2.gz ONLOYXMTZPTPSG-IDKOKCKLSA-N 1 0 171.284 1.942 20 0 ADADRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCOC1 230666686 538215205 /nfs/dbraw/zinc/21/52/05/538215205.db2.gz OYNXBPVVFBZTAD-OUAUKWLOSA-N 1 0 183.295 1.801 20 0 ADADRO CC[C@H](COC)[NH2+]C1CC(OC)C1 230675398 538215243 /nfs/dbraw/zinc/21/52/43/538215243.db2.gz YBLLJGNHZSJQKE-XNWIYYODSA-N 1 0 187.283 1.178 20 0 ADADRO COC1CC([NH2+][C@@H](C)[C@H]2CCOC2)C1 230675161 538215263 /nfs/dbraw/zinc/21/52/63/538215263.db2.gz CPMBQZLXJZCZNV-SAAXCQNUSA-N 1 0 199.294 1.178 20 0 ADADRO COC1CC([NH2+]CC2CCOCC2)C1 230689672 538215386 /nfs/dbraw/zinc/21/53/86/538215386.db2.gz PVZKAINWEUIWSN-UHFFFAOYSA-N 1 0 199.294 1.180 20 0 ADADRO O=C1CCCCC(=O)C1[C@@H]1CCC[NH2+]1 230796519 538215530 /nfs/dbraw/zinc/21/55/30/538215530.db2.gz AHWBJSWRAKOFCA-QMMMGPOBSA-N 1 0 195.262 1.067 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]CCc1cnn(C)c1 230758993 538215630 /nfs/dbraw/zinc/21/56/30/538215630.db2.gz IRAMZVMTMKOFSD-ONGXEEELSA-N 1 0 193.294 1.208 20 0 ADADRO Cn1ccc(CC[NH2+]C2CCCC2)n1 230881238 538215643 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O[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 306243438 538300730 /nfs/dbraw/zinc/30/07/30/538300730.db2.gz UNMKCPOTAVQBPI-YBXAARCKSA-N 1 0 195.306 1.678 20 0 ADADRO C[C@@H]1COC[C@H](CC(=O)C2CCC2)[NH2+]1 306244418 538300759 /nfs/dbraw/zinc/30/07/59/538300759.db2.gz ASPXJFKGCRKGRB-SCZZXKLOSA-N 1 0 197.278 1.123 20 0 ADADRO CC1(C)CCC([C@@H](O)CC[NH3+])CC1 306267035 538300781 /nfs/dbraw/zinc/30/07/81/538300781.db2.gz HGXTUVCMHKBJCU-JTQLQIEISA-N 1 0 185.311 1.913 20 0 ADADRO C[C@@H]1C[C@@H]1[C@@](C)(O)C1(C[NH3+])CCC1 306262276 538300855 /nfs/dbraw/zinc/30/08/55/538300855.db2.gz YHZYJDIPSNYHLJ-KXUCPTDWSA-N 1 0 183.295 1.522 20 0 ADADRO C[C@@H]1C[C@H]1[C@](C)(O)C1(C[NH3+])CCC1 306262273 538300879 /nfs/dbraw/zinc/30/08/79/538300879.db2.gz YHZYJDIPSNYHLJ-BBBLOLIVSA-N 1 0 183.295 1.522 20 0 ADADRO [NH3+]CC1([C@@H](O)[C@@H]2CC=CCC2)CC1 306244294 538300890 /nfs/dbraw/zinc/30/08/90/538300890.db2.gz XTWOECGZOVZNDF-ZJUUUORDSA-N 1 0 181.279 1.443 20 0 ADADRO C[C@H]1COC[C@@H](CC(=O)C2CCC2)[NH2+]1 306244420 538300904 /nfs/dbraw/zinc/30/09/04/538300904.db2.gz ASPXJFKGCRKGRB-WCBMZHEXSA-N 1 0 197.278 1.123 20 0 ADADRO C[C@@](O)(C1CCC1)C1(C[NH3+])CCC1 306245021 538300953 /nfs/dbraw/zinc/30/09/53/538300953.db2.gz URYAMOXWNRVARC-SNVBAGLBSA-N 1 0 183.295 1.667 20 0 ADADRO O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 306243436 538300975 /nfs/dbraw/zinc/30/09/75/538300975.db2.gz UNMKCPOTAVQBPI-IYKVGLELSA-N 1 0 195.306 1.678 20 0 ADADRO C[C@@H]1C[C@@H]1[C@](C)(O)C1(C[NH3+])CCC1 306262280 538301016 /nfs/dbraw/zinc/30/10/16/538301016.db2.gz YHZYJDIPSNYHLJ-UTLUCORTSA-N 1 0 183.295 1.522 20 0 ADADRO COC1(Cn2cc[nH+]c2N)CCCC1 306243742 538301022 /nfs/dbraw/zinc/30/10/22/538301022.db2.gz AFDYDEMBHNNRAW-UHFFFAOYSA-N 1 0 195.266 1.425 20 0 ADADRO C[C@](O)(C1CCC1)C1(C[NH3+])CCC1 306245020 538301053 /nfs/dbraw/zinc/30/10/53/538301053.db2.gz URYAMOXWNRVARC-JTQLQIEISA-N 1 0 183.295 1.667 20 0 ADADRO C[C@H]1COC[C@H](CC(=O)C2CCC2)[NH2+]1 306244422 538301061 /nfs/dbraw/zinc/30/10/61/538301061.db2.gz ASPXJFKGCRKGRB-WPRPVWTQSA-N 1 0 197.278 1.123 20 0 ADADRO C[C@@H]1COC[C@@H](CC(=O)C2CCC2)[NH2+]1 306244415 538301074 /nfs/dbraw/zinc/30/10/74/538301074.db2.gz ASPXJFKGCRKGRB-PSASIEDQSA-N 1 0 197.278 1.123 20 0 ADADRO [NH3+]CC1([C@H](O)[C@@H]2CC=CCC2)CC1 306244291 538301343 /nfs/dbraw/zinc/30/13/43/538301343.db2.gz XTWOECGZOVZNDF-NXEZZACHSA-N 1 0 181.279 1.443 20 0 ADADRO C[C@@H]1C[C@H]1[C@@](C)(O)C1(C[NH3+])CCC1 306262278 538301372 /nfs/dbraw/zinc/30/13/72/538301372.db2.gz YHZYJDIPSNYHLJ-OPRDCNLKSA-N 1 0 183.295 1.522 20 0 ADADRO CC1(C)CCC([C@H](O)CC[NH3+])CC1 306267036 538301486 /nfs/dbraw/zinc/30/14/86/538301486.db2.gz HGXTUVCMHKBJCU-SNVBAGLBSA-N 1 0 185.311 1.913 20 0 ADADRO [NH3+]CC1([C@@H](O)[C@H]2CC=CCC2)CC1 306244292 538301536 /nfs/dbraw/zinc/30/15/36/538301536.db2.gz XTWOECGZOVZNDF-UWVGGRQHSA-N 1 0 181.279 1.443 20 0 ADADRO [NH3+]CC1([C@H](O)[C@H]2CC=CCC2)CC1 306244293 538301634 /nfs/dbraw/zinc/30/16/34/538301634.db2.gz XTWOECGZOVZNDF-VHSXEESVSA-N 1 0 181.279 1.443 20 0 ADADRO O=C(C[C@@H]1CCC[NH2+]1)C(F)(F)F 306316732 538302117 /nfs/dbraw/zinc/30/21/17/538302117.db2.gz HENDXJSDIBYSKO-YFKPBYRVSA-N 1 0 181.157 1.260 20 0 ADADRO [NH3+]CC[C@@H](O)[C@@H]1CC2CCC1CC2 306295004 538302466 /nfs/dbraw/zinc/30/24/66/538302466.db2.gz YQEHOJPATVKWCI-JPPWEJMLSA-N 1 0 183.295 1.522 20 0 ADADRO [NH3+]CC[C@H](O)[C@@H]1CC2CCC1CC2 306295005 538302523 /nfs/dbraw/zinc/30/25/23/538302523.db2.gz YQEHOJPATVKWCI-LXKPXOPUSA-N 1 0 183.295 1.522 20 0 ADADRO O=C(C[C@H]1CCC[NH2+]1)C(F)(F)F 306316731 538302534 /nfs/dbraw/zinc/30/25/34/538302534.db2.gz HENDXJSDIBYSKO-RXMQYKEDSA-N 1 0 181.157 1.260 20 0 ADADRO [NH3+]CC[C@@H](O)[C@H]1CC2CCC1CC2 306295093 538302601 /nfs/dbraw/zinc/30/26/01/538302601.db2.gz YQEHOJPATVKWCI-WFBLGPOFSA-N 1 0 183.295 1.522 20 0 ADADRO [NH3+]CC[C@H](O)[C@H]1CC2CCC1CC2 306295091 538302807 /nfs/dbraw/zinc/30/28/07/538302807.db2.gz YQEHOJPATVKWCI-TVUZUIDESA-N 1 0 183.295 1.522 20 0 ADADRO CC[C@](C)(C[NH3+])[C@]1(O)CC[C@@H]2C[C@@H]21 306422747 538303577 /nfs/dbraw/zinc/30/35/77/538303577.db2.gz DJGMGMUIEIRGFS-YTWAJWBKSA-N 1 0 183.295 1.522 20 0 ADADRO CC(C)C(=O)NC[C@@H]1CCCC[NH2+]C1 306369303 538303797 /nfs/dbraw/zinc/30/37/97/538303797.db2.gz LHTFBPGPNMUXBK-SNVBAGLBSA-N 1 0 198.310 1.148 20 0 ADADRO C[NH2+]C[C@]1(C)CCOc2ccccc21 306379901 538303800 /nfs/dbraw/zinc/30/38/00/538303800.db2.gz UXBXSGZDJCQFBB-LBPRGKRZSA-N 1 0 191.274 1.946 20 0 ADADRO Cc1ccsc1[C@@H](O)C1(C[NH3+])CC1 306386651 538303819 /nfs/dbraw/zinc/30/38/19/538303819.db2.gz SRPPWCRDLGNGDM-SECBINFHSA-N 1 0 197.303 1.829 20 0 ADADRO CC[N@H+](CCF)CC(C)C 306382155 538303854 /nfs/dbraw/zinc/30/38/54/538303854.db2.gz PHFSVHNPQSHKME-UHFFFAOYSA-N 1 0 147.237 1.934 20 0 ADADRO CC[C@](C)(C[NH3+])[C@]1(O)CC[C@H]2C[C@H]21 306422748 538303916 /nfs/dbraw/zinc/30/39/16/538303916.db2.gz DJGMGMUIEIRGFS-ZDCRXTMVSA-N 1 0 183.295 1.522 20 0 ADADRO Cc1ccsc1[C@H](O)C1(C[NH3+])CC1 306386652 538303973 /nfs/dbraw/zinc/30/39/73/538303973.db2.gz SRPPWCRDLGNGDM-VIFPVBQESA-N 1 0 197.303 1.829 20 0 ADADRO CC(C)C(=O)NC[C@H]1CCCC[NH2+]C1 306369301 538304041 /nfs/dbraw/zinc/30/40/41/538304041.db2.gz LHTFBPGPNMUXBK-JTQLQIEISA-N 1 0 198.310 1.148 20 0 ADADRO C[NH2+]C[C@@]1(C)CCOc2ccccc21 306379900 538304435 /nfs/dbraw/zinc/30/44/35/538304435.db2.gz UXBXSGZDJCQFBB-GFCCVEGCSA-N 1 0 191.274 1.946 20 0 ADADRO CC[C@H](C[NH3+])[C@]1(O)CC[C@@H]2C[C@@H]21 306451573 538305192 /nfs/dbraw/zinc/30/51/92/538305192.db2.gz CNTCVHLYXVPSRK-DOLQZWNJSA-N 1 0 169.268 1.132 20 0 ADADRO CCC[N@H+](CC)CCF 306453960 538305214 /nfs/dbraw/zinc/30/52/14/538305214.db2.gz OMEWYZZJBMJABX-UHFFFAOYSA-N 1 0 133.210 1.688 20 0 ADADRO CC[C@H](C[NH3+])[C@]1(O)CC[C@H]2C[C@H]21 306451575 538305254 /nfs/dbraw/zinc/30/52/54/538305254.db2.gz CNTCVHLYXVPSRK-SGIHWFKDSA-N 1 0 169.268 1.132 20 0 ADADRO Cc1ccsc1[C@@H]1C[NH2+]C[C@H]1N 306877002 538311637 /nfs/dbraw/zinc/31/16/37/538311637.db2.gz DGJNKLSQVJQDQV-HTQZYQBOSA-N 1 0 182.292 1.071 20 0 ADADRO Cc1cnc(N[C@@H](C)C[NH+](C)C)s1 306524674 538306559 /nfs/dbraw/zinc/30/65/59/538306559.db2.gz ZOKPMQLFRIOPCO-ZETCQYMHSA-N 1 0 199.323 1.814 20 0 ADADRO C[C@@H]1CC[C@]2(C1)[NH2+]CCc1nc[nH]c12 306555189 538307105 /nfs/dbraw/zinc/30/71/05/538307105.db2.gz FGNILHWROWCDTE-LDYMZIIASA-N 1 0 191.278 1.571 20 0 ADADRO Cc1csc([C@H](O)C2(C[NH3+])CC2)n1 306557068 538307140 /nfs/dbraw/zinc/30/71/40/538307140.db2.gz MLLOLPQNMKQHEX-ZETCQYMHSA-N 1 0 198.291 1.224 20 0 ADADRO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CC[C@H]1O 306554001 538307214 /nfs/dbraw/zinc/30/72/14/538307214.db2.gz JSIDOAWLMOIJBY-CHWFTXMASA-N 1 0 183.295 1.345 20 0 ADADRO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1O 306554013 538307222 /nfs/dbraw/zinc/30/72/22/538307222.db2.gz JSIDOAWLMOIJBY-ZNSHCXBVSA-N 1 0 183.295 1.345 20 0 ADADRO Cc1cc([C@@H](O)[C@@H](C)C[NH3+])cs1 306566766 538307241 /nfs/dbraw/zinc/30/72/41/538307241.db2.gz BJZIYGXZKODCTM-RCOVLWMOSA-N 1 0 185.292 1.685 20 0 ADADRO Cc1cc([C@H](O)[C@H](C)C[NH3+])cs1 306566760 538307261 /nfs/dbraw/zinc/30/72/61/538307261.db2.gz BJZIYGXZKODCTM-HZGVNTEJSA-N 1 0 185.292 1.685 20 0 ADADRO Cc1cc([C@H](O)[C@@H](C)C[NH3+])cs1 306566762 538307277 /nfs/dbraw/zinc/30/72/77/538307277.db2.gz BJZIYGXZKODCTM-IMTBSYHQSA-N 1 0 185.292 1.685 20 0 ADADRO C[C@H]1CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 306555188 538307326 /nfs/dbraw/zinc/30/73/26/538307326.db2.gz FGNILHWROWCDTE-KWQFWETISA-N 1 0 191.278 1.571 20 0 ADADRO C[C@H]1CC[C@]2(C1)[NH2+]CCc1nc[nH]c12 306555186 538307340 /nfs/dbraw/zinc/30/73/40/538307340.db2.gz FGNILHWROWCDTE-GZMMTYOYSA-N 1 0 191.278 1.571 20 0 ADADRO C[C@@H]1CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 306555187 538307395 /nfs/dbraw/zinc/30/73/95/538307395.db2.gz FGNILHWROWCDTE-KCJUWKMLSA-N 1 0 191.278 1.571 20 0 ADADRO C[C@H]1C[C@H]1C[N@@H+]1CC[C@H](O)[C@H](C)C1 306554007 538307404 /nfs/dbraw/zinc/30/74/04/538307404.db2.gz JSIDOAWLMOIJBY-VLEAKVRGSA-N 1 0 183.295 1.345 20 0 ADADRO Cc1cc([C@@H](O)[C@H](C)C[NH3+])cs1 306566764 538307418 /nfs/dbraw/zinc/30/74/18/538307418.db2.gz BJZIYGXZKODCTM-MUWHJKNJSA-N 1 0 185.292 1.685 20 0 ADADRO C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 306554019 538307445 /nfs/dbraw/zinc/30/74/45/538307445.db2.gz JSIDOAWLMOIJBY-ZRUFSTJUSA-N 1 0 183.295 1.345 20 0 ADADRO Cc1csc([C@@H](O)C2(C[NH3+])CC2)n1 306557067 538307511 /nfs/dbraw/zinc/30/75/11/538307511.db2.gz MLLOLPQNMKQHEX-SSDOTTSWSA-N 1 0 198.291 1.224 20 0 ADADRO Cc1cc([C@H](O)[C@@H](C)C[NH3+])sn1 306615644 538308006 /nfs/dbraw/zinc/30/80/06/538308006.db2.gz BOUIMGZDLRTEHK-YLWLKBPMSA-N 1 0 186.280 1.080 20 0 ADADRO Cc1cc([C@@H](O)[C@H](C)C[NH3+])sn1 306615642 538308045 /nfs/dbraw/zinc/30/80/45/538308045.db2.gz BOUIMGZDLRTEHK-XRGYYRRGSA-N 1 0 186.280 1.080 20 0 ADADRO Cc1cc([C@@H](O)[C@@H](C)C[NH3+])sn1 306615640 538308188 /nfs/dbraw/zinc/30/81/88/538308188.db2.gz BOUIMGZDLRTEHK-XNCJUZBTSA-N 1 0 186.280 1.080 20 0 ADADRO CCCC(=O)CC1([NH3+])CC1 306617241 538308195 /nfs/dbraw/zinc/30/81/95/538308195.db2.gz QXCLCYQTOVOIKQ-UHFFFAOYSA-N 1 0 141.214 1.237 20 0 ADADRO Cc1cc([C@H](O)[C@H](C)C[NH3+])sn1 306615638 538308233 /nfs/dbraw/zinc/30/82/33/538308233.db2.gz BOUIMGZDLRTEHK-SVGQVSJJSA-N 1 0 186.280 1.080 20 0 ADADRO CC(C)(C[NH3+])[C@H](O)C1(C)CCCC1 306791940 538308875 /nfs/dbraw/zinc/30/88/75/538308875.db2.gz ZKTVFUZORXGGAN-VIFPVBQESA-N 1 0 185.311 1.913 20 0 ADADRO CC(C)(C[NH3+])[C@@H](O)C1(C)CCCC1 306791939 538309013 /nfs/dbraw/zinc/30/90/13/538309013.db2.gz ZKTVFUZORXGGAN-SECBINFHSA-N 1 0 185.311 1.913 20 0 ADADRO Cc1ccoc1[C@@H](O)C1(C[NH3+])CC1 306737301 538309054 /nfs/dbraw/zinc/30/90/54/538309054.db2.gz YWAVBGQMDJWBDC-SECBINFHSA-N 1 0 181.235 1.360 20 0 ADADRO CC[C@H](C[NH3+])[C@]1(O)CCC[C@@H]2C[C@@H]21 306718768 538309123 /nfs/dbraw/zinc/30/91/23/538309123.db2.gz WRVIFFJMBMVGEU-CHWFTXMASA-N 1 0 183.295 1.522 20 0 ADADRO C(=C1CC[NH2+]CC1)c1cccnc1 306715944 538309222 /nfs/dbraw/zinc/30/92/22/538309222.db2.gz FRNVSEUBIIJSNS-UHFFFAOYSA-N 1 0 174.247 1.848 20 0 ADADRO CC[C@@H]1CCC[C@@]1(O)C1(C[NH3+])CC1 306702627 538309284 /nfs/dbraw/zinc/30/92/84/538309284.db2.gz ALHKIRFMDPVBRE-KOLCDFICSA-N 1 0 183.295 1.667 20 0 ADADRO CC[C@H]1CCC[C@@]1(O)C1(C[NH3+])CC1 306702640 538309431 /nfs/dbraw/zinc/30/94/31/538309431.db2.gz ALHKIRFMDPVBRE-ONGXEEELSA-N 1 0 183.295 1.667 20 0 ADADRO CC[C@@H]1CCC[C@]1(O)C1(C[NH3+])CC1 306702636 538309566 /nfs/dbraw/zinc/30/95/66/538309566.db2.gz ALHKIRFMDPVBRE-MWLCHTKSSA-N 1 0 183.295 1.667 20 0 ADADRO Cc1ccoc1[C@H](O)C1(C[NH3+])CC1 306737302 538309772 /nfs/dbraw/zinc/30/97/72/538309772.db2.gz YWAVBGQMDJWBDC-VIFPVBQESA-N 1 0 181.235 1.360 20 0 ADADRO CC[C@H](C[NH3+])[C@]1(O)CCC[C@H]2C[C@H]21 306718770 538309824 /nfs/dbraw/zinc/30/98/24/538309824.db2.gz WRVIFFJMBMVGEU-LNFKQOIKSA-N 1 0 183.295 1.522 20 0 ADADRO CC[C@H]1CCC[C@]1(O)C1(C[NH3+])CC1 306702615 538310244 /nfs/dbraw/zinc/31/02/44/538310244.db2.gz ALHKIRFMDPVBRE-GXSJLCMTSA-N 1 0 183.295 1.667 20 0 ADADRO CC1([C@@]2(C)[NH2+]CCc3nc[nH]c32)CC1 306868399 538310815 /nfs/dbraw/zinc/31/08/15/538310815.db2.gz QNPMIWPVDWCECJ-NSHDSACASA-N 1 0 191.278 1.571 20 0 ADADRO Cc1ccsc1[C@H]1C[NH2+]C[C@@H]1N 306877005 538310876 /nfs/dbraw/zinc/31/08/76/538310876.db2.gz DGJNKLSQVJQDQV-YUMQZZPRSA-N 1 0 182.292 1.071 20 0 ADADRO CC1(C)C[C@@H]1[C@@](C)(O)C(C)(C)C[NH3+] 306868343 538310931 /nfs/dbraw/zinc/31/09/31/538310931.db2.gz QYWVTUPUMSREML-GZMMTYOYSA-N 1 0 185.311 1.768 20 0 ADADRO C[C@H](C[NH3+])[C@](C)(O)c1ccsc1 306849174 538310950 /nfs/dbraw/zinc/31/09/50/538310950.db2.gz NMLAOORWPFRTQJ-APPZFPTMSA-N 1 0 185.292 1.550 20 0 ADADRO CC1(C)C[C@H]1[C@@](C)(O)C(C)(C)C[NH3+] 306868346 538310991 /nfs/dbraw/zinc/31/09/91/538310991.db2.gz QYWVTUPUMSREML-LDYMZIIASA-N 1 0 185.311 1.768 20 0 ADADRO Cc1ccsc1[C@@H]1C[NH2+]C[C@@H]1N 306877004 538310998 /nfs/dbraw/zinc/31/09/98/538310998.db2.gz DGJNKLSQVJQDQV-SFYZADRCSA-N 1 0 182.292 1.071 20 0 ADADRO CC1(C)C[C@@H]1[C@](C)(O)C(C)(C)C[NH3+] 306868345 538311011 /nfs/dbraw/zinc/31/10/11/538311011.db2.gz QYWVTUPUMSREML-KWQFWETISA-N 1 0 185.311 1.768 20 0 ADADRO C[C@H](C[NH3+])[C@@](C)(O)c1ccsc1 306849177 538311068 /nfs/dbraw/zinc/31/10/68/538311068.db2.gz 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Cc1ccc([C@H]2C[NH2+]C[C@H]2N)s1 307037300 538312607 /nfs/dbraw/zinc/31/26/07/538312607.db2.gz DQVNTNGSIGWWCH-JGVFFNPUSA-N 1 0 182.292 1.071 20 0 ADADRO CCC1(C)CCN(C[C@H]2CC[NH2+]2)CC1 307029975 538312616 /nfs/dbraw/zinc/31/26/16/538312616.db2.gz MXLYNECYXQNWPI-LLVKDONJSA-N 1 0 196.338 1.860 20 0 ADADRO CCC1(C)CCN(C[C@@H]2CC[NH2+]2)CC1 307029976 538312661 /nfs/dbraw/zinc/31/26/61/538312661.db2.gz MXLYNECYXQNWPI-NSHDSACASA-N 1 0 196.338 1.860 20 0 ADADRO Cc1ccc([C@@H]2C[NH2+]C[C@H]2N)s1 307037298 538312724 /nfs/dbraw/zinc/31/27/24/538312724.db2.gz DQVNTNGSIGWWCH-HTQZYQBOSA-N 1 0 182.292 1.071 20 0 ADADRO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2N)s1 307037302 538312772 /nfs/dbraw/zinc/31/27/72/538312772.db2.gz DQVNTNGSIGWWCH-SFYZADRCSA-N 1 0 182.292 1.071 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[C@@H](O)[C@H](C)C[NH3+] 307168330 538313364 /nfs/dbraw/zinc/31/33/64/538313364.db2.gz UXLZMESGEHWFJF-ZNSHCXBVSA-N 1 0 185.311 1.768 20 0 ADADRO [NH3+]CC1([C@H](O)c2ccco2)CC1 307144288 538313376 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CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCC1 379569019 538415077 /nfs/dbraw/zinc/41/50/77/538415077.db2.gz AHMWOYUZUZAOKX-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO COCC(C)(C)C[NH2+]Cc1cocn1 379568072 538415083 /nfs/dbraw/zinc/41/50/83/538415083.db2.gz FCFNRIWBBCSQFD-UHFFFAOYSA-N 1 0 198.266 1.437 20 0 ADADRO COC[C@H](C)C[NH2+]Cc1ccoc1C 379564127 538415097 /nfs/dbraw/zinc/41/50/97/538415097.db2.gz AOXSYRYAFMPPFN-SECBINFHSA-N 1 0 197.278 1.960 20 0 ADADRO OCC[C@H]([NH2+]CC1CC1)c1ccco1 379570371 538415265 /nfs/dbraw/zinc/41/52/65/538415265.db2.gz COONVQSMFMDAAZ-JTQLQIEISA-N 1 0 195.262 1.703 20 0 ADADRO CCC(CC)[NH2+][C@H](C)c1nnnn1C 379568085 538415292 /nfs/dbraw/zinc/41/52/92/538415292.db2.gz FDIIQRJMRMZYMU-SSDOTTSWSA-N 1 0 197.286 1.049 20 0 ADADRO C/C=C/C[C@@H](CO)[NH2+]C1CCOCC1 379567492 538415299 /nfs/dbraw/zinc/41/52/99/538415299.db2.gz DPQQLZZWELYHAZ-VUDBWIFFSA-N 1 0 199.294 1.082 20 0 ADADRO CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C)C1 379569812 538415353 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/nfs/dbraw/zinc/41/57/61/538415761.db2.gz DEBASQAZDQHBEP-MNOVXSKESA-N 1 0 193.294 1.698 20 0 ADADRO CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C)C1 379569822 538415772 /nfs/dbraw/zinc/41/57/72/538415772.db2.gz GIYXODWIHUEADB-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO Cc1cccc(CC[NH2+]CC2CC2)n1 379571410 538415980 /nfs/dbraw/zinc/41/59/80/538415980.db2.gz DYSOIYHMKSBECC-UHFFFAOYSA-N 1 0 190.290 1.932 20 0 ADADRO CC1CC([NH2+]CCCn2cncn2)C1 379572499 538416045 /nfs/dbraw/zinc/41/60/45/538416045.db2.gz GSIKAHQWLJHNST-UHFFFAOYSA-N 1 0 194.282 1.056 20 0 ADADRO COC[C@H]([NH2+]C1(COC)CC1)C1CC1 379571041 538416048 /nfs/dbraw/zinc/41/60/48/538416048.db2.gz HFCXENVQXRGUPB-JTQLQIEISA-N 1 0 199.294 1.180 20 0 ADADRO Cc1ccc(C(C)(C)[NH2+]CCO)cn1 379577789 538416097 /nfs/dbraw/zinc/41/60/97/538416097.db2.gz RRPQZIDYLWTPSN-UHFFFAOYSA-N 1 0 194.278 1.207 20 0 ADADRO COC[C@@H]([NH2+]C1(COC)CC1)C1CC1 379571044 538416217 /nfs/dbraw/zinc/41/62/17/538416217.db2.gz HFCXENVQXRGUPB-SNVBAGLBSA-N 1 0 199.294 1.180 20 0 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538416482 /nfs/dbraw/zinc/41/64/82/538416482.db2.gz QLYOFKBQTQGPMK-LLVKDONJSA-N 1 0 197.253 1.669 20 0 ADADRO Cc1cn[nH]c1C[NH2+]C[C@@H]1CC1(C)C 379574203 538416491 /nfs/dbraw/zinc/41/64/91/538416491.db2.gz JWUIBDRZAHBOQL-VIFPVBQESA-N 1 0 193.294 1.854 20 0 ADADRO COC[C@H]([NH2+]Cc1cocn1)C(C)C 379571916 538416502 /nfs/dbraw/zinc/41/65/02/538416502.db2.gz HSSJGHJUOYMWPM-JTQLQIEISA-N 1 0 198.266 1.435 20 0 ADADRO CC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)C1CC1 379578992 538416532 /nfs/dbraw/zinc/41/65/32/538416532.db2.gz VPJQEQZJOCXLGK-VXGBXAGGSA-N 1 0 197.322 1.926 20 0 ADADRO COCCC(C)(C)[NH2+]Cc1cc[nH]c1 379572625 538416541 /nfs/dbraw/zinc/41/65/41/538416541.db2.gz IEOWTNKAZUPWCA-UHFFFAOYSA-N 1 0 196.294 1.919 20 0 ADADRO CC[C@H]([NH2+]CCOC)c1ccncc1 379572636 538416641 /nfs/dbraw/zinc/41/66/41/538416641.db2.gz HBUKFUNPRKJKGT-NSHDSACASA-N 1 0 194.278 1.769 20 0 ADADRO CCC(CC)C[NH2+]CCc1cn[nH]c1 379579103 538416648 /nfs/dbraw/zinc/41/66/48/538416648.db2.gz VYLPMJCOCHQVRC-UHFFFAOYSA-N 1 0 195.310 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/nfs/dbraw/zinc/41/70/38/538417038.db2.gz JFLRPKHGXFMBFJ-UHFFFAOYSA-N 1 0 197.282 1.234 20 0 ADADRO CCC1(C[NH2+]C2CCOCC2)COC1 379571162 538417064 /nfs/dbraw/zinc/41/70/64/538417064.db2.gz DTAGXZNTTBUSMT-UHFFFAOYSA-N 1 0 199.294 1.182 20 0 ADADRO CCC(CC)[NH2+][C@@H](C)c1ncn(C)n1 379573343 538417130 /nfs/dbraw/zinc/41/71/30/538417130.db2.gz IRUAMYKEAFYTMX-QMMMGPOBSA-N 1 0 196.298 1.654 20 0 ADADRO OCC[C@H]([NH2+]CCF)c1ccccc1 379577369 538417194 /nfs/dbraw/zinc/41/71/94/538417194.db2.gz QLYOFKBQTQGPMK-NSHDSACASA-N 1 0 197.253 1.669 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)C 379573399 538417297 /nfs/dbraw/zinc/41/72/97/538417297.db2.gz IPNKLGOXLLLOMC-AEJSXWLSSA-N 1 0 198.310 1.241 20 0 ADADRO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(N)=O 379574947 538417304 /nfs/dbraw/zinc/41/73/04/538417304.db2.gz LHADUSRCBPZJRE-OPRDCNLKSA-N 1 0 198.310 1.276 20 0 ADADRO CC[C@H](COC)[NH2+]Cc1[nH]ncc1C 379586698 538417452 /nfs/dbraw/zinc/41/74/52/538417452.db2.gz RHOURSCVFIZKNU-SECBINFHSA-N 1 0 197.282 1.233 20 0 ADADRO Cc1cc(C[NH2+][C@H](C)C2CCC2)[nH]n1 379580583 538417471 /nfs/dbraw/zinc/41/74/71/538417471.db2.gz ZGNHEIMBQSDJTA-SECBINFHSA-N 1 0 193.294 1.996 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+]CCCCF 379587189 538417490 /nfs/dbraw/zinc/41/74/90/538417490.db2.gz SBSJVUJWJHABQS-SNVBAGLBSA-N 1 0 199.273 1.611 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]CCCNC(C)=O 379588501 538417586 /nfs/dbraw/zinc/41/75/86/538417586.db2.gz UDYBDYHARJJIHS-WDEREUQCSA-N 1 0 198.310 1.291 20 0 ADADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 379589843 538417594 /nfs/dbraw/zinc/41/75/94/538417594.db2.gz VQLSTOHROPWBDD-UTLUCORTSA-N 1 0 198.310 1.099 20 0 ADADRO CCCC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 379588695 538417662 /nfs/dbraw/zinc/41/76/62/538417662.db2.gz ULGAGWFIEDFAGO-QMMMGPOBSA-N 1 0 195.266 1.633 20 0 ADADRO CC[NH2+][C@H](C(=O)N1CCCC1)C(C)C 379586093 538417673 /nfs/dbraw/zinc/41/76/73/538417673.db2.gz QLPLUJTZBXYSGB-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CCCc1cccc(C[NH2+]CCO)c1 379580923 538417678 /nfs/dbraw/zinc/41/76/78/538417678.db2.gz JZPMWVYQRQYAEX-UHFFFAOYSA-N 1 0 193.290 1.721 20 0 ADADRO CN(C)C(=O)CC[NH2+]C1CC(C)(C)C1 379584446 538417701 /nfs/dbraw/zinc/41/77/01/538417701.db2.gz OIFZAQCDDBEEON-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO COCC1([NH2+]Cc2ccn(C)c2)CC1 379588233 538417740 /nfs/dbraw/zinc/41/77/40/538417740.db2.gz SZUCNSMPXQPGMF-UHFFFAOYSA-N 1 0 194.278 1.294 20 0 ADADRO Cn1cccc1C[NH2+]CCC(C)(C)O 379584583 538417772 /nfs/dbraw/zinc/41/77/72/538417772.db2.gz OKMUAVBGSZVVKY-UHFFFAOYSA-N 1 0 196.294 1.276 20 0 ADADRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@H](C)O 379579746 538417808 /nfs/dbraw/zinc/41/78/08/538417808.db2.gz XGXZRLFIWOULGP-WOPDTQHZSA-N 1 0 197.322 1.949 20 0 ADADRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)O 379579745 538417819 /nfs/dbraw/zinc/41/78/19/538417819.db2.gz XGXZRLFIWOULGP-SRVKXCTJSA-N 1 0 197.322 1.949 20 0 ADADRO CC(C)[C@@H]([NH2+]CCN1CCC1)C1CC1 379580886 538417856 /nfs/dbraw/zinc/41/78/56/538417856.db2.gz ZYWGGYSMBHPILO-GFCCVEGCSA-N 1 0 196.338 1.716 20 0 ADADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 379589840 538417984 /nfs/dbraw/zinc/41/79/84/538417984.db2.gz VQLSTOHROPWBDD-GUBZILKMSA-N 1 0 198.310 1.099 20 0 ADADRO CC[C@H]([NH2+][C@@H](CO)CC1CC1)C1CC1 379582501 538418007 /nfs/dbraw/zinc/41/80/07/538418007.db2.gz LYLTZAYZTPUJBO-NEPJUHHUSA-N 1 0 197.322 1.926 20 0 ADADRO COCC1([NH2+]Cc2ccco2)CCC1 379586787 538418090 /nfs/dbraw/zinc/41/80/90/538418090.db2.gz RKVVVTCCOZCELC-UHFFFAOYSA-N 1 0 195.262 1.938 20 0 ADADRO COCC1([NH2+]Cc2occc2C)CC1 379588571 538418065 /nfs/dbraw/zinc/41/80/65/538418065.db2.gz UGIVLGTZRBQBGA-UHFFFAOYSA-N 1 0 195.262 1.857 20 0 ADADRO CC[C@]1([NH2+]Cc2ncc[nH]2)CCOC1 379582040 538418138 /nfs/dbraw/zinc/41/81/38/538418138.db2.gz LHIOJWBDPFSXSS-JTQLQIEISA-N 1 0 195.266 1.068 20 0 ADADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 379589842 538418184 /nfs/dbraw/zinc/41/81/84/538418184.db2.gz VQLSTOHROPWBDD-LPEHRKFASA-N 1 0 198.310 1.099 20 0 ADADRO CC(C)[C@H]([NH2+]CCN1CCC1)C1CC1 379580887 538418219 /nfs/dbraw/zinc/41/82/19/538418219.db2.gz ZYWGGYSMBHPILO-LBPRGKRZSA-N 1 0 196.338 1.716 20 0 ADADRO CCCC[NH2+][C@H](C)c1ccc(=O)[nH]n1 379588694 538418227 /nfs/dbraw/zinc/41/82/27/538418227.db2.gz ULGAGWFIEDFAGO-MRVPVSSYSA-N 1 0 195.266 1.633 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]CCCNC(C)=O 379588500 538418236 /nfs/dbraw/zinc/41/82/36/538418236.db2.gz UDYBDYHARJJIHS-QWRGUYRKSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@H]([NH2+][C@H](CO)CC1CC1)C1CC1 379582503 538418238 /nfs/dbraw/zinc/41/82/38/538418238.db2.gz LYLTZAYZTPUJBO-RYUDHWBXSA-N 1 0 197.322 1.926 20 0 ADADRO COCC1([NH2+]Cc2cc[nH]n2)CCC1 379590361 538418291 /nfs/dbraw/zinc/41/82/91/538418291.db2.gz WFEJLLVPSDOMMP-UHFFFAOYSA-N 1 0 195.266 1.068 20 0 ADADRO COCCC(C)(C)[NH2+]Cc1ncc[nH]1 379583518 538418308 /nfs/dbraw/zinc/41/83/08/538418308.db2.gz NGLDFQPBQONEMU-UHFFFAOYSA-N 1 0 197.282 1.314 20 0 ADADRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@H](C)O 379579740 538418400 /nfs/dbraw/zinc/41/84/00/538418400.db2.gz XGXZRLFIWOULGP-GRYCIOLGSA-N 1 0 197.322 1.949 20 0 ADADRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)O 379579742 538418421 /nfs/dbraw/zinc/41/84/21/538418421.db2.gz XGXZRLFIWOULGP-SDDRHHMPSA-N 1 0 197.322 1.949 20 0 ADADRO C[C@@H](Cn1cccn1)[NH2+]CCCCF 379587187 538418433 /nfs/dbraw/zinc/41/84/33/538418433.db2.gz SBSJVUJWJHABQS-JTQLQIEISA-N 1 0 199.273 1.611 20 0 ADADRO CN(C)c1ccccc1C[NH2+]CCF 379581485 538418481 /nfs/dbraw/zinc/41/84/81/538418481.db2.gz KSAXFOIAMZTWQG-UHFFFAOYSA-N 1 0 196.269 1.812 20 0 ADADRO CCCNC(=O)C[NH2+][C@@H]1CCC1(C)C 379587435 538418523 /nfs/dbraw/zinc/41/85/23/538418523.db2.gz SGBZHTNOMCRGKC-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]CCCNC(C)=O 379588498 538418578 /nfs/dbraw/zinc/41/85/78/538418578.db2.gz UDYBDYHARJJIHS-GHMZBOCLSA-N 1 0 198.310 1.291 20 0 ADADRO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]1C[C@H]1C 379589841 538418557 /nfs/dbraw/zinc/41/85/57/538418557.db2.gz VQLSTOHROPWBDD-KXUCPTDWSA-N 1 0 198.310 1.099 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCNC(C)=O 379588499 538418655 /nfs/dbraw/zinc/41/86/55/538418655.db2.gz UDYBDYHARJJIHS-MNOVXSKESA-N 1 0 198.310 1.291 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+]CC1=CCCOC1 379583738 538418691 /nfs/dbraw/zinc/41/86/91/538418691.db2.gz NMQNXTKUTNPXKM-ZJUUUORDSA-N 1 0 199.294 1.346 20 0 ADADRO CC[C@@H](COC)[NH2+]Cc1[nH]ncc1C 379586700 538418707 /nfs/dbraw/zinc/41/87/07/538418707.db2.gz RHOURSCVFIZKNU-VIFPVBQESA-N 1 0 197.282 1.233 20 0 ADADRO CCCNC(=O)C[NH2+][C@H]1CCC1(C)C 379587436 538418729 /nfs/dbraw/zinc/41/87/29/538418729.db2.gz SGBZHTNOMCRGKC-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@H]([NH2+][C@@H](CO)CC1CC1)C1CC1 379582504 538418862 /nfs/dbraw/zinc/41/88/62/538418862.db2.gz LYLTZAYZTPUJBO-VXGBXAGGSA-N 1 0 197.322 1.926 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+]CC1=CCCOC1 379583736 538418971 /nfs/dbraw/zinc/41/89/71/538418971.db2.gz NMQNXTKUTNPXKM-NXEZZACHSA-N 1 0 199.294 1.346 20 0 ADADRO COCC1([NH2+]Cc2ncc[nH]2)CCC1 379582448 538418975 /nfs/dbraw/zinc/41/89/75/538418975.db2.gz LVKAKUGSSHQIRQ-UHFFFAOYSA-N 1 0 195.266 1.068 20 0 ADADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(C)C 379592792 538420719 /nfs/dbraw/zinc/42/07/19/538420719.db2.gz ZKTCZSBRARYCSF-UWVGGRQHSA-N 1 0 198.310 1.147 20 0 ADADRO CC[C@@]1([NH2+]Cc2ncc[nH]2)CCOC1 379582041 538419145 /nfs/dbraw/zinc/41/91/45/538419145.db2.gz LHIOJWBDPFSXSS-SNVBAGLBSA-N 1 0 195.266 1.068 20 0 ADADRO CC1(C)CC([NH2+][C@H](CO)CC2CC2)C1 379609513 538421683 /nfs/dbraw/zinc/42/16/83/538421683.db2.gz SIKLYYQAMMYRRR-JTQLQIEISA-N 1 0 197.322 1.926 20 0 ADADRO CC(C)C[C@@H](C)[NH2+]CCc1cn[nH]c1 379600257 538422083 /nfs/dbraw/zinc/42/20/83/538422083.db2.gz KTLPHGSDCIKBMK-SNVBAGLBSA-N 1 0 195.310 1.976 20 0 ADADRO Cc1cn[nH]c1C[NH2+]CCC1(C)CC1 379580013 538419219 /nfs/dbraw/zinc/41/92/19/538419219.db2.gz XVYDYLHSGZBQSI-UHFFFAOYSA-N 1 0 193.294 1.998 20 0 ADADRO CC[C@@]1([NH2+]Cc2cn[nH]c2)CCOC1 379614374 538424111 /nfs/dbraw/zinc/42/41/11/538424111.db2.gz XOQHBRFKXOQKNC-SNVBAGLBSA-N 1 0 195.266 1.068 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCn1ccnc1 379657268 538425696 /nfs/dbraw/zinc/42/56/96/538425696.db2.gz MIOPVXKSASGYKV-MNOVXSKESA-N 1 0 193.294 1.661 20 0 ADADRO C[C@@H]([NH2+]CCCn1cncn1)C1CC1 379596356 538419471 /nfs/dbraw/zinc/41/94/71/538419471.db2.gz FPBMTXILHXTBIO-SECBINFHSA-N 1 0 194.282 1.056 20 0 ADADRO CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C 379595436 538419475 /nfs/dbraw/zinc/41/94/75/538419475.db2.gz DMWVMUPNRAXPSW-NEPJUHHUSA-N 1 0 198.354 1.962 20 0 ADADRO CC(C)[C@H](CCO)[NH2+]Cc1ccon1 379599050 538419504 /nfs/dbraw/zinc/41/95/04/538419504.db2.gz IPXKZAJYYKROGS-JTQLQIEISA-N 1 0 198.266 1.171 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]CC1=CC[N@H+](C)CC1 379599069 538419568 /nfs/dbraw/zinc/41/95/68/538419568.db2.gz IQMXVFHCKDQINJ-PWSUYJOCSA-N 1 0 194.322 1.494 20 0 ADADRO CCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O 379599232 538419638 /nfs/dbraw/zinc/41/96/38/538419638.db2.gz IZYHUVLBAFICKD-ZJUUUORDSA-N 1 0 198.310 1.385 20 0 ADADRO Cc1occc1C[NH2+][C@H](C)CCCO 379599192 538419646 /nfs/dbraw/zinc/41/96/46/538419646.db2.gz IXULJHAMTIGSAK-SECBINFHSA-N 1 0 197.278 1.839 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+]C1CC=CC1 379657893 538427027 /nfs/dbraw/zinc/42/70/27/538427027.db2.gz MWVKPOKILLOMSC-SNVBAGLBSA-N 1 0 191.278 1.580 20 0 ADADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(C)C 379592791 538419680 /nfs/dbraw/zinc/41/96/80/538419680.db2.gz ZKTCZSBRARYCSF-NXEZZACHSA-N 1 0 198.310 1.147 20 0 ADADRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)C1CCC1 379657274 538427031 /nfs/dbraw/zinc/42/70/31/538427031.db2.gz MIWWMVFRQUUKDE-BXKDBHETSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)C1CCC1 379657275 538427086 /nfs/dbraw/zinc/42/70/86/538427086.db2.gz MIWWMVFRQUUKDE-CABZTGNLSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](CO)CC1CCC1 379658426 538427087 /nfs/dbraw/zinc/42/70/87/538427087.db2.gz NKUOPVYTRJJGRX-YUSALJHKSA-N 1 0 197.322 1.783 20 0 ADADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(C)C 379592794 538419887 /nfs/dbraw/zinc/41/98/87/538419887.db2.gz ZKTCZSBRARYCSF-ZJUUUORDSA-N 1 0 198.310 1.147 20 0 ADADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(C)C 379592793 538419960 /nfs/dbraw/zinc/41/99/60/538419960.db2.gz ZKTCZSBRARYCSF-VHSXEESVSA-N 1 0 198.310 1.147 20 0 ADADRO CC[C@H]([NH2+]CCc1cn[nH]c1)C1CC1 379593967 538420037 /nfs/dbraw/zinc/42/00/37/538420037.db2.gz CDRCECYGJMPQGC-NSHDSACASA-N 1 0 193.294 1.730 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[C@H]1C 379599227 538420054 /nfs/dbraw/zinc/42/00/54/538420054.db2.gz IZWZVKMAWGHLSW-MXWKQRLJSA-N 1 0 193.294 1.517 20 0 ADADRO CC(C)[C@@H](CCO)[NH2+]Cc1ccon1 379599051 538420057 /nfs/dbraw/zinc/42/00/57/538420057.db2.gz IPXKZAJYYKROGS-SNVBAGLBSA-N 1 0 198.266 1.171 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]CC1=CC[N@H+](C)CC1 379599070 538420077 /nfs/dbraw/zinc/42/00/77/538420077.db2.gz IQMXVFHCKDQINJ-ZYHUDNBSSA-N 1 0 194.322 1.494 20 0 ADADRO Cc1occc1C[NH2+][C@@H](C)CCCO 379599193 538420103 /nfs/dbraw/zinc/42/01/03/538420103.db2.gz IXULJHAMTIGSAK-VIFPVBQESA-N 1 0 197.278 1.839 20 0 ADADRO CC[C@@H]([NH2+]Cc1cncn1C)C1CC1 379598788 538420134 /nfs/dbraw/zinc/42/01/34/538420134.db2.gz HYSIIPMTLJJBHE-LLVKDONJSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+][C@H](C)Cn1cccn1 379599224 538420160 /nfs/dbraw/zinc/42/01/60/538420160.db2.gz IZWZVKMAWGHLSW-AXFHLTTASA-N 1 0 193.294 1.517 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+][C@H](C)Cn1cccn1 379599226 538420164 /nfs/dbraw/zinc/42/01/64/538420164.db2.gz IZWZVKMAWGHLSW-HBNTYKKESA-N 1 0 193.294 1.517 20 0 ADADRO CN(C)[C@H](C[NH2+]CC1(C)CC1)C1CC1 379592842 538420188 /nfs/dbraw/zinc/42/01/88/538420188.db2.gz ZORHUBBPDROCPV-LLVKDONJSA-N 1 0 196.338 1.716 20 0 ADADRO OCC[NH2+]Cc1ccc2occc2c1 379598917 538420233 /nfs/dbraw/zinc/42/02/33/538420233.db2.gz IGPGYHPCSPPSAQ-UHFFFAOYSA-N 1 0 191.230 1.515 20 0 ADADRO CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C 379595438 538420238 /nfs/dbraw/zinc/42/02/38/538420238.db2.gz DMWVMUPNRAXPSW-RYUDHWBXSA-N 1 0 198.354 1.962 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]CC1=CC[N@H+](C)CC1 379599068 538420249 /nfs/dbraw/zinc/42/02/49/538420249.db2.gz IQMXVFHCKDQINJ-JQWIXIFHSA-N 1 0 194.322 1.494 20 0 ADADRO CCO[C@@H]1COCC[C@H]1[NH2+]CC1CC1 379599621 538420276 /nfs/dbraw/zinc/42/02/76/538420276.db2.gz JXAFOPIAKZWLEB-GHMZBOCLSA-N 1 0 199.294 1.180 20 0 ADADRO CCN(C)C(=O)C[NH2+][C@H]1CCC1(C)C 379590977 538420308 /nfs/dbraw/zinc/42/03/08/538420308.db2.gz WWOOBJUTJQSGGC-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)=CC[NH2+][C@@H](C)CC(=O)N(C)C 379593038 538420321 /nfs/dbraw/zinc/42/03/21/538420321.db2.gz ATUFIUMTVLLSGS-JTQLQIEISA-N 1 0 198.310 1.409 20 0 ADADRO CN(C)[C@@H](C[NH2+]CC1(C)CC1)C1CC1 379592843 538420441 /nfs/dbraw/zinc/42/04/41/538420441.db2.gz ZORHUBBPDROCPV-NSHDSACASA-N 1 0 196.338 1.716 20 0 ADADRO CC(C)[N@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C 379595437 538420528 /nfs/dbraw/zinc/42/05/28/538420528.db2.gz DMWVMUPNRAXPSW-NWDGAFQWSA-N 1 0 198.354 1.962 20 0 ADADRO COCCOCC[NH2+]C1(C2CC2)CC1 379598511 538420564 /nfs/dbraw/zinc/42/05/64/538420564.db2.gz HOHSKOGHNMGFQV-UHFFFAOYSA-N 1 0 199.294 1.182 20 0 ADADRO CC[C@@H]([NH2+]CCc1cn[nH]c1)C1CC1 379593966 538420587 /nfs/dbraw/zinc/42/05/87/538420587.db2.gz CDRCECYGJMPQGC-LLVKDONJSA-N 1 0 193.294 1.730 20 0 ADADRO c1cc(C[NH2+]CCc2cn[nH]c2)c[nH]1 379594052 538420599 /nfs/dbraw/zinc/42/05/99/538420599.db2.gz CHROBMOUEBONAX-UHFFFAOYSA-N 1 0 190.250 1.070 20 0 ADADRO CCN(C)C(=O)C[NH2+][C@@H]1CCC1(C)C 379590974 538420604 /nfs/dbraw/zinc/42/06/04/538420604.db2.gz WWOOBJUTJQSGGC-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H]([NH2+]CCCn1cncn1)C1CC1 379596410 538420616 /nfs/dbraw/zinc/42/06/16/538420616.db2.gz FPBMTXILHXTBIO-VIFPVBQESA-N 1 0 194.282 1.056 20 0 ADADRO CC(C)=CC[NH2+][C@H](C)CC(=O)N(C)C 379593039 538420636 /nfs/dbraw/zinc/42/06/36/538420636.db2.gz ATUFIUMTVLLSGS-SNVBAGLBSA-N 1 0 198.310 1.409 20 0 ADADRO CCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O 379599229 538420743 /nfs/dbraw/zinc/42/07/43/538420743.db2.gz IZYHUVLBAFICKD-NXEZZACHSA-N 1 0 198.310 1.385 20 0 ADADRO CC[C@H](C[NH2+]Cc1ccn(C)c1)OC 379599272 538420747 /nfs/dbraw/zinc/42/07/47/538420747.db2.gz JCUJMXYBBLPOFD-LLVKDONJSA-N 1 0 196.294 1.540 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]CC1=CC[N@H+](C)CC1 379599067 538420779 /nfs/dbraw/zinc/42/07/79/538420779.db2.gz IQMXVFHCKDQINJ-CMPLNLGQSA-N 1 0 194.322 1.494 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[C@H]1C 379599225 538420823 /nfs/dbraw/zinc/42/08/23/538420823.db2.gz IZWZVKMAWGHLSW-GMTAPVOTSA-N 1 0 193.294 1.517 20 0 ADADRO CC(C)[N@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C 379595439 538420941 /nfs/dbraw/zinc/42/09/41/538420941.db2.gz DMWVMUPNRAXPSW-VXGBXAGGSA-N 1 0 198.354 1.962 20 0 ADADRO CCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O 379599231 538420952 /nfs/dbraw/zinc/42/09/52/538420952.db2.gz IZYHUVLBAFICKD-VHSXEESVSA-N 1 0 198.310 1.385 20 0 ADADRO CCC[C@H](C)[NH2+][C@H]1CCCN(C)C1=O 379599230 538420965 /nfs/dbraw/zinc/42/09/65/538420965.db2.gz IZYHUVLBAFICKD-UWVGGRQHSA-N 1 0 198.310 1.385 20 0 ADADRO CC[C@@H](C[NH2+]Cc1ccn(C)c1)OC 379599273 538420968 /nfs/dbraw/zinc/42/09/68/538420968.db2.gz JCUJMXYBBLPOFD-NSHDSACASA-N 1 0 196.294 1.540 20 0 ADADRO CC[C@H]([NH2+]Cc1cncn1C)C1CC1 379598789 538420990 /nfs/dbraw/zinc/42/09/90/538420990.db2.gz HYSIIPMTLJJBHE-NSHDSACASA-N 1 0 193.294 1.698 20 0 ADADRO CCO[C@H]1COCC[C@H]1[NH2+]CC1CC1 379599622 538421033 /nfs/dbraw/zinc/42/10/33/538421033.db2.gz JXAFOPIAKZWLEB-MNOVXSKESA-N 1 0 199.294 1.180 20 0 ADADRO C/C=C/C[C@H](CO)[NH2+]Cc1ccco1 379603459 538421127 /nfs/dbraw/zinc/42/11/27/538421127.db2.gz NZDPXHUOSUUBFW-VMZHVLLKSA-N 1 0 195.262 1.696 20 0 ADADRO C[C@@H](O)CCC[N@H+](C)Cc1ccoc1 379599901 538421278 /nfs/dbraw/zinc/42/12/78/538421278.db2.gz KIFACGDKILBDFR-SNVBAGLBSA-N 1 0 197.278 1.872 20 0 ADADRO C/C=C\C[C@H](CO)[NH2+]Cc1ccco1 379603457 538421288 /nfs/dbraw/zinc/42/12/88/538421288.db2.gz NZDPXHUOSUUBFW-MXQLGCADSA-N 1 0 195.262 1.696 20 0 ADADRO CC[C@H]1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 379606401 538421293 /nfs/dbraw/zinc/42/12/93/538421293.db2.gz QMNDSTUNQDDKTJ-KXUCPTDWSA-N 1 0 198.310 1.419 20 0 ADADRO 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/nfs/dbraw/zinc/42/15/81/538421581.db2.gz KTLPHGSDCIKBMK-JTQLQIEISA-N 1 0 195.310 1.976 20 0 ADADRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccco1 379603460 538421610 /nfs/dbraw/zinc/42/16/10/538421610.db2.gz NZDPXHUOSUUBFW-ZMWSMAPVSA-N 1 0 195.262 1.696 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]CC1(CO)CCC1 379604616 538421741 /nfs/dbraw/zinc/42/17/41/538421741.db2.gz PHUQMBDCWVGNSQ-GHMZBOCLSA-N 1 0 197.322 1.927 20 0 ADADRO CC[C@H](C)C[NH2+]CCN1CC=CCC1 379606804 538421746 /nfs/dbraw/zinc/42/17/46/538421746.db2.gz QTZORBBVRNETKV-LBPRGKRZSA-N 1 0 196.338 1.884 20 0 ADADRO CC(C)C(=O)NCC[NH2+]CC1(C)CC1 379607674 538421754 /nfs/dbraw/zinc/42/17/54/538421754.db2.gz RHSPSWMKXWKVBJ-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO CCO[C@H]1COCC[C@@H]1[NH2+]CC1CC1 379599623 538421758 /nfs/dbraw/zinc/42/17/58/538421758.db2.gz JXAFOPIAKZWLEB-QWRGUYRKSA-N 1 0 199.294 1.180 20 0 ADADRO CC(C)NC(=O)C[NH2+]C1(C2CC2)CC1 379599932 538421838 /nfs/dbraw/zinc/42/18/38/538421838.db2.gz KKITXFHLINTLGN-UHFFFAOYSA-N 1 0 196.294 1.043 20 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/nfs/dbraw/zinc/42/26/74/538422674.db2.gz XYKOQPRSVUAWKT-RUJICJSRSA-N 1 0 197.322 1.926 20 0 ADADRO CC(C)[NH2+][C@H](c1nncn1C)C(C)C 379611186 538422680 /nfs/dbraw/zinc/42/26/80/538422680.db2.gz UEVWKYZJBOOWMW-VIFPVBQESA-N 1 0 196.298 1.510 20 0 ADADRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)C1CC1 379619550 538422685 /nfs/dbraw/zinc/42/26/85/538422685.db2.gz CSSWEFHTVLSROI-JOYOIKCWSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H](CCC1CC1)[NH2+]C[C@H](O)C1CC1 379619551 538422790 /nfs/dbraw/zinc/42/27/90/538422790.db2.gz CSSWEFHTVLSROI-SKDRFNHKSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@]1([NH2+]Cc2cn[nH]c2)CCOC1 379614371 538422831 /nfs/dbraw/zinc/42/28/31/538422831.db2.gz XOQHBRFKXOQKNC-JTQLQIEISA-N 1 0 195.266 1.068 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCC1CC(O)C1 379614716 538422903 /nfs/dbraw/zinc/42/29/03/538422903.db2.gz XYKOQPRSVUAWKT-RSJDFQLWSA-N 1 0 197.322 1.926 20 0 ADADRO CCn1nc(C)c(C[NH2+]CCF)c1C 379614841 538422954 /nfs/dbraw/zinc/42/29/54/538422954.db2.gz YAQKBYNPMXXLEZ-UHFFFAOYSA-N 1 0 199.273 1.579 20 0 ADADRO CC1(C)CC([NH2+]CCc2cn[nH]c2)C1 379621394 538422971 /nfs/dbraw/zinc/42/29/71/538422971.db2.gz FUDZIGQILGIOHM-UHFFFAOYSA-N 1 0 193.294 1.730 20 0 ADADRO CC[C@@H]([NH2+]CCCF)c1cnn(C)c1 379610965 538423036 /nfs/dbraw/zinc/42/30/36/538423036.db2.gz UDYLVUYDZLOVLC-SNVBAGLBSA-N 1 0 199.273 1.820 20 0 ADADRO C[C@H](CC[NH+](C)C)NCc1ccon1 379612140 538423091 /nfs/dbraw/zinc/42/30/91/538423091.db2.gz VFTZXPXIGXEQOU-SECBINFHSA-N 1 0 197.282 1.104 20 0 ADADRO CC[C@@H]([NH2+]CCCF)c1ccn(C)n1 379612885 538423096 /nfs/dbraw/zinc/42/30/96/538423096.db2.gz WGOFQUHGKSGUCU-SECBINFHSA-N 1 0 199.273 1.820 20 0 ADADRO CC[C@H]([NH2+]CCCF)c1cnn(C)c1 379610964 538423102 /nfs/dbraw/zinc/42/31/02/538423102.db2.gz UDYLVUYDZLOVLC-JTQLQIEISA-N 1 0 199.273 1.820 20 0 ADADRO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)C1CC1 379619547 538423123 /nfs/dbraw/zinc/42/31/23/538423123.db2.gz CSSWEFHTVLSROI-CABZTGNLSA-N 1 0 197.322 1.926 20 0 ADADRO CC(C)C(C)(C)[NH2+]Cc1ncnn1C 379618322 538423128 /nfs/dbraw/zinc/42/31/28/538423128.db2.gz BJNACBMQYDSYKC-UHFFFAOYSA-N 1 0 196.298 1.339 20 0 ADADRO C[C@H]([NH2+]Cc1cocn1)[C@H]1CCOC1 379616958 538423150 /nfs/dbraw/zinc/42/31/50/538423150.db2.gz ZTNRRNBLFPQNHV-IUCAKERBSA-N 1 0 196.250 1.189 20 0 ADADRO Cc1cn[nH]c1C[NH2+]C[C@H](C)C1CC1 379622042 538423181 /nfs/dbraw/zinc/42/31/81/538423181.db2.gz GLSDLFFFMYSLFE-QMMMGPOBSA-N 1 0 193.294 1.854 20 0 ADADRO OC[C@@H](CC1CC1)[NH2+]Cc1ccco1 379619485 538423201 /nfs/dbraw/zinc/42/32/01/538423201.db2.gz CRBLCMSHBCGTDD-SNVBAGLBSA-N 1 0 195.262 1.530 20 0 ADADRO CC1(C)CC([NH2+]CCn2ccnc2)C1 379617553 538423238 /nfs/dbraw/zinc/42/32/38/538423238.db2.gz ALNAJDQCCYDUCT-UHFFFAOYSA-N 1 0 193.294 1.661 20 0 ADADRO C1COC[C@@H](C[NH2+]C2(C3CC3)CC2)C1 379619079 538423241 /nfs/dbraw/zinc/42/32/41/538423241.db2.gz CEUKOGQIOLRFAN-SNVBAGLBSA-N 1 0 195.306 1.945 20 0 ADADRO C1COC[C@H](C[NH2+]C2(C3CC3)CC2)C1 379619076 538423254 /nfs/dbraw/zinc/42/32/54/538423254.db2.gz CEUKOGQIOLRFAN-JTQLQIEISA-N 1 0 195.306 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/nfs/dbraw/zinc/42/70/71/538427071.db2.gz QIYZLTYYJBFGBP-SNVBAGLBSA-N 1 0 193.294 1.871 20 0 ADADRO C[C@@H]([NH2+]CCN1CCC1)C1CCCC1 379612283 538423832 /nfs/dbraw/zinc/42/38/32/538423832.db2.gz VJUNCQCNHPMRHJ-LLVKDONJSA-N 1 0 196.338 1.860 20 0 ADADRO OC[C@H](CC1CC1)[NH2+]Cc1ccco1 379619484 538423906 /nfs/dbraw/zinc/42/39/06/538423906.db2.gz CRBLCMSHBCGTDD-JTQLQIEISA-N 1 0 195.262 1.530 20 0 ADADRO CC(C)[NH2+][C@@H](c1nncn1C)C(C)C 379611178 538423923 /nfs/dbraw/zinc/42/39/23/538423923.db2.gz UEVWKYZJBOOWMW-SECBINFHSA-N 1 0 196.298 1.510 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]Cc1ncccc1F 379612437 538423931 /nfs/dbraw/zinc/42/39/31/538423931.db2.gz VOHREWWNVHYSDP-BDAKNGLRSA-N 1 0 194.253 1.966 20 0 ADADRO CC[C@H]([NH2+]CCCF)c1ccn(C)n1 379612886 538423936 /nfs/dbraw/zinc/42/39/36/538423936.db2.gz WGOFQUHGKSGUCU-VIFPVBQESA-N 1 0 199.273 1.820 20 0 ADADRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)C1CC1 379619544 538423954 /nfs/dbraw/zinc/42/39/54/538423954.db2.gz CSSWEFHTVLSROI-BXKDBHETSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]Cc1ncccc1F 379612439 538423969 /nfs/dbraw/zinc/42/39/69/538423969.db2.gz VOHREWWNVHYSDP-IUCAKERBSA-N 1 0 194.253 1.966 20 0 ADADRO C[C@H]([NH2+][C@H](C)c1ncnn1C)C1CC1 379620051 538424028 /nfs/dbraw/zinc/42/40/28/538424028.db2.gz DGWKPDCUCZHJRC-JGVFFNPUSA-N 1 0 194.282 1.264 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]CCC1CC(O)C1 379614715 538424066 /nfs/dbraw/zinc/42/40/66/538424066.db2.gz XYKOQPRSVUAWKT-POSLAHMBSA-N 1 0 197.322 1.926 20 0 ADADRO Cc1cc(C[NH2+]CC(C)(C)C)ncn1 379618594 538424073 /nfs/dbraw/zinc/42/40/73/538424073.db2.gz BPZMVVJNMLHQLB-UHFFFAOYSA-N 1 0 193.294 1.921 20 0 ADADRO C[C@@H](CCC1CC1)[NH2+]CCN1CCC1 379618941 538424080 /nfs/dbraw/zinc/42/40/80/538424080.db2.gz CAUPIJHKNDGJKD-NSHDSACASA-N 1 0 196.338 1.860 20 0 ADADRO C[C@H]([NH2+]Cc1cocn1)[C@@H]1CCOC1 379616955 538424088 /nfs/dbraw/zinc/42/40/88/538424088.db2.gz ZTNRRNBLFPQNHV-DTWKUNHWSA-N 1 0 196.250 1.189 20 0 ADADRO Cc1noc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)n1 379638177 538424299 /nfs/dbraw/zinc/42/42/99/538424299.db2.gz SGMWITZCNCOIST-FJXKBIBVSA-N 1 0 195.266 1.685 20 0 ADADRO Cn1ccnc1[C@@H]([NH2+]C1CC1)C1CC1 379642148 538424418 /nfs/dbraw/zinc/42/44/18/538424418.db2.gz VUWBIRTXFMSCSM-JTQLQIEISA-N 1 0 191.278 1.623 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+]C1(C)CCC1 379628333 538424452 /nfs/dbraw/zinc/42/44/52/538424452.db2.gz LKQRSFREBNKJQJ-SNVBAGLBSA-N 1 0 193.294 1.804 20 0 ADADRO CC1(C)C[C@@H]1C[NH2+]CC1=CCCOC1 379642298 538424611 /nfs/dbraw/zinc/42/46/11/538424611.db2.gz VZUWVXCNQBGCFV-LLVKDONJSA-N 1 0 195.306 1.969 20 0 ADADRO C[C@H]([NH2+]C1(C2CC2)CC1)[C@@H]1CCOC1 379637719 538424696 /nfs/dbraw/zinc/42/46/96/538424696.db2.gz SCCOBELAPLDFBF-VHSXEESVSA-N 1 0 195.306 1.944 20 0 ADADRO CC(C)=CCC[NH2+]Cc1cnn(C)c1 379643329 538424717 /nfs/dbraw/zinc/42/47/17/538424717.db2.gz WNSCVJAUKJTXMN-UHFFFAOYSA-N 1 0 193.294 1.866 20 0 ADADRO CC1(C[NH2+]C[C@]2(C)CCOC2)COC1 379645853 538424727 /nfs/dbraw/zinc/42/47/27/538424727.db2.gz YCNQQLJZCIBHKU-JTQLQIEISA-N 1 0 199.294 1.039 20 0 ADADRO C[C@H]([NH2+]C1(C2CC2)CC1)[C@H]1CCOC1 379637718 538424783 /nfs/dbraw/zinc/42/47/83/538424783.db2.gz SCCOBELAPLDFBF-UWVGGRQHSA-N 1 0 195.306 1.944 20 0 ADADRO OCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC1 379644573 538424871 /nfs/dbraw/zinc/42/48/71/538424871.db2.gz XIDDFZGJHIOGJY-RYUDHWBXSA-N 1 0 197.322 1.927 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCC1 379624098 538424882 /nfs/dbraw/zinc/42/48/82/538424882.db2.gz IOMNZOYSOQXEEF-GHMZBOCLSA-N 1 0 197.322 1.927 20 0 ADADRO Cc1noc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)n1 379638176 538424884 /nfs/dbraw/zinc/42/48/84/538424884.db2.gz SGMWITZCNCOIST-BKPPORCPSA-N 1 0 195.266 1.685 20 0 ADADRO Cc1noc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)n1 379638175 538424887 /nfs/dbraw/zinc/42/48/87/538424887.db2.gz SGMWITZCNCOIST-ACLDMZEESA-N 1 0 195.266 1.685 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCC1 379624104 538424903 /nfs/dbraw/zinc/42/49/03/538424903.db2.gz IOMNZOYSOQXEEF-QWRGUYRKSA-N 1 0 197.322 1.927 20 0 ADADRO CC1(C)CC([NH2+]CCN2CCCC2)C1 379641899 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197.322 1.927 20 0 ADADRO Cc1n[nH]c(CC[NH2+]CC2(C)CC2)n1 379630442 538425119 /nfs/dbraw/zinc/42/51/19/538425119.db2.gz MUDRXPISVLHMIN-UHFFFAOYSA-N 1 0 194.282 1.045 20 0 ADADRO Cc1noc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)n1 379638181 538425132 /nfs/dbraw/zinc/42/51/32/538425132.db2.gz SGMWITZCNCOIST-ZKWXMUAHSA-N 1 0 195.266 1.685 20 0 ADADRO FCC[NH2+]CC1Cc2ccccc2C1 379642873 538425163 /nfs/dbraw/zinc/42/51/63/538425163.db2.gz WHQGWDKXSJMGRH-UHFFFAOYSA-N 1 0 193.265 1.961 20 0 ADADRO CC1(C[NH2+]C[C@@]2(C)CCOC2)COC1 379645854 538425196 /nfs/dbraw/zinc/42/51/96/538425196.db2.gz YCNQQLJZCIBHKU-SNVBAGLBSA-N 1 0 199.294 1.039 20 0 ADADRO CC(=O)NCCC[NH2+]C1CC(C)(C)C1 379628312 538425213 /nfs/dbraw/zinc/42/52/13/538425213.db2.gz LJWGNUQLDDOLSS-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@@H]([NH2+]C1(C2CC2)CC1)[C@@H]1CCOC1 379637717 538425215 /nfs/dbraw/zinc/42/52/15/538425215.db2.gz SCCOBELAPLDFBF-NXEZZACHSA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCC1 379624106 538425232 /nfs/dbraw/zinc/42/52/32/538425232.db2.gz IOMNZOYSOQXEEF-WDEREUQCSA-N 1 0 197.322 1.927 20 0 ADADRO CC(C)=CC[NH2+][C@H](C(N)=O)C(C)(C)C 379635287 538425270 /nfs/dbraw/zinc/42/52/70/538425270.db2.gz QONFILRIWZMRNQ-SECBINFHSA-N 1 0 198.310 1.442 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCC1 379624102 538425380 /nfs/dbraw/zinc/42/53/80/538425380.db2.gz IOMNZOYSOQXEEF-MNOVXSKESA-N 1 0 197.322 1.927 20 0 ADADRO C[C@H](C[NH2+]C1CC2(CCC2)C1)N(C)C 379639935 538425405 /nfs/dbraw/zinc/42/54/05/538425405.db2.gz UGMASINLXHCCSW-SNVBAGLBSA-N 1 0 196.338 1.859 20 0 ADADRO OCC[C@H]1CCC[C@@H]1[NH2+]CC1CCC1 379644557 538425430 /nfs/dbraw/zinc/42/54/30/538425430.db2.gz XIDDFZGJHIOGJY-NEPJUHHUSA-N 1 0 197.322 1.927 20 0 ADADRO CC1(C)C[C@H]1C[NH2+]CC1=CCCOC1 379642306 538425499 /nfs/dbraw/zinc/42/54/99/538425499.db2.gz VZUWVXCNQBGCFV-NSHDSACASA-N 1 0 195.306 1.969 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)C(N)=O 379649367 538425724 /nfs/dbraw/zinc/42/57/24/538425724.db2.gz CMXUWSUKOLFKCV-DTWKUNHWSA-N 1 0 198.310 1.276 20 0 ADADRO Cc1cncc([C@H](C)[NH2+]CCCO)c1 379653355 538425835 /nfs/dbraw/zinc/42/58/35/538425835.db2.gz HYSFUOGAYHOQCQ-JTQLQIEISA-N 1 0 194.278 1.423 20 0 ADADRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C 379654445 538425794 /nfs/dbraw/zinc/42/57/94/538425794.db2.gz JALFFARWJNMTJM-IJLUTSLNSA-N 1 0 198.354 1.961 20 0 ADADRO Cc1cnn(C)c1C[NH2+]CC(C)(C)C 379653715 538425882 /nfs/dbraw/zinc/42/58/82/538425882.db2.gz IJCXWTVBOGZWBJ-UHFFFAOYSA-N 1 0 195.310 1.864 20 0 ADADRO CC[C@@]1([NH2+]Cc2cc[nH]c2)CCOC1 379650501 538426006 /nfs/dbraw/zinc/42/60/06/538426006.db2.gz DZPNVNCMFVYLCW-LLVKDONJSA-N 1 0 194.278 1.673 20 0 ADADRO C[C@@H](CO)C[NH2+]C1CCC2(CC1)CC2 379657262 538426010 /nfs/dbraw/zinc/42/60/10/538426010.db2.gz MIBNDQSYHRXVRQ-SNVBAGLBSA-N 1 0 197.322 1.927 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]CCc1cn[nH]c1 379652850 538426012 /nfs/dbraw/zinc/42/60/12/538426012.db2.gz HJMQNDTXLRNVSE-SNVBAGLBSA-N 1 0 193.294 1.730 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]CCc1cn[nH]c1 379652849 538426044 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COC1(C[NH2+]CCCF)CCCC1 388643685 538435530 /nfs/dbraw/zinc/43/55/30/538435530.db2.gz POALXPIZKYZVLZ-UHFFFAOYSA-N 1 0 189.274 1.895 20 0 ADADRO C[C@@H]([NH2+]CC(F)F)[C@@H]1CCCOC1 388638211 538435540 /nfs/dbraw/zinc/43/55/40/538435540.db2.gz NMTVPYMFPYVZTN-HTQZYQBOSA-N 1 0 193.237 1.656 20 0 ADADRO C[C@@H]1OCC[C@H]1[NH2+]CCC1(C)CC1 388635264 538435563 /nfs/dbraw/zinc/43/55/63/538435563.db2.gz MLNVQEKMLLRFQT-VHSXEESVSA-N 1 0 183.295 1.944 20 0 ADADRO CCC(CC)[NH2+][C@@H](CO)CC(F)F 388662957 538435575 /nfs/dbraw/zinc/43/55/75/538435575.db2.gz VVSKONGDHPIWBO-MRVPVSSYSA-N 1 0 195.253 1.781 20 0 ADADRO CCn1nccc1C[N@H+](C)C1CC1 388639854 538435588 /nfs/dbraw/zinc/43/55/88/538435588.db2.gz NZYYDEOCRRCQDV-UHFFFAOYSA-N 1 0 179.267 1.497 20 0 ADADRO C[C@H](O)CC[N@H+](C)CCCCCF 388677109 538436320 /nfs/dbraw/zinc/43/63/20/538436320.db2.gz ZHIQQUDTSBQBOY-JTQLQIEISA-N 1 0 191.290 1.829 20 0 ADADRO C[C@H](O)C[C@H](C)C[NH2+]C[C@H]1C[C@H]1C 388649939 538435613 /nfs/dbraw/zinc/43/56/13/538435613.db2.gz RKARNBJANZQPCX-ZRUFSTJUSA-N 1 0 185.311 1.639 20 0 ADADRO C[C@@H]([NH2+]CC(F)F)[C@H]1CCCOC1 388638213 538435639 /nfs/dbraw/zinc/43/56/39/538435639.db2.gz NMTVPYMFPYVZTN-SFYZADRCSA-N 1 0 193.237 1.656 20 0 ADADRO Cc1cncc([C@@H](C)[NH2+]CCO)c1 388656710 538435691 /nfs/dbraw/zinc/43/56/91/538435691.db2.gz UGTHYHMHXWIURL-SECBINFHSA-N 1 0 180.251 1.033 20 0 ADADRO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1C 388649936 538435697 /nfs/dbraw/zinc/43/56/97/538435697.db2.gz RKARNBJANZQPCX-NAKRPEOUSA-N 1 0 185.311 1.639 20 0 ADADRO C[C@H](O)C[C@H](C)C[NH2+]C[C@H]1C[C@@H]1C 388649938 538435755 /nfs/dbraw/zinc/43/57/55/538435755.db2.gz RKARNBJANZQPCX-XWLWVQCSSA-N 1 0 185.311 1.639 20 0 ADADRO COC1(C[NH2+]CC2(C)CC2)CCC1 388647103 538435782 /nfs/dbraw/zinc/43/57/82/538435782.db2.gz QNJJNAKYWIBQDW-UHFFFAOYSA-N 1 0 183.295 1.945 20 0 ADADRO C[C@H]([NH2+]CC(F)F)[C@H]1CCCOC1 388638214 538435784 /nfs/dbraw/zinc/43/57/84/538435784.db2.gz NMTVPYMFPYVZTN-YUMQZZPRSA-N 1 0 193.237 1.656 20 0 ADADRO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H]1C[C@H]1C 388649937 538435824 /nfs/dbraw/zinc/43/58/24/538435824.db2.gz RKARNBJANZQPCX-VLEAKVRGSA-N 1 0 185.311 1.639 20 0 ADADRO C[C@H]([NH2+]CC(F)F)[C@@H]1CCCOC1 388638212 538435846 /nfs/dbraw/zinc/43/58/46/538435846.db2.gz NMTVPYMFPYVZTN-JGVFFNPUSA-N 1 0 193.237 1.656 20 0 ADADRO C[C@H]1OCC[C@@H]1[NH2+]CCC1(C)CC1 388635265 538435901 /nfs/dbraw/zinc/43/59/01/538435901.db2.gz MLNVQEKMLLRFQT-ZJUUUORDSA-N 1 0 183.295 1.944 20 0 ADADRO CCC[C@@H](C)N(C)Cc1nc[nH]n1 388659621 538435904 /nfs/dbraw/zinc/43/59/04/538435904.db2.gz VAPNSZKPYDWMSA-MRVPVSSYSA-N 1 0 182.271 1.425 20 0 ADADRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)O 388667104 538435920 /nfs/dbraw/zinc/43/59/20/538435920.db2.gz WYNNFLYZBPFZJX-SECBINFHSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1CC 388645224 538435932 /nfs/dbraw/zinc/43/59/32/538435932.db2.gz PZBLPVJJXWKUKK-MXWKQRLJSA-N 1 0 185.311 1.926 20 0 ADADRO CC1(CC[NH2+]Cc2csnn2)CC1 388662355 538435936 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185.311 1.878 20 0 ADADRO CN(Cc1nccs1)C1(CO)CC1 388708725 538436511 /nfs/dbraw/zinc/43/65/11/538436511.db2.gz OYPILNQGLQCWIS-UHFFFAOYSA-N 1 0 198.291 1.100 20 0 ADADRO CC(C)[C@@H](CO)C[NH2+][C@H](C)C1CC1 388734622 538436577 /nfs/dbraw/zinc/43/65/77/538436577.db2.gz WHVHAHHUTIXGSU-MWLCHTKSSA-N 1 0 185.311 1.639 20 0 ADADRO CC(C)[C@H](CO)C[NH2+][C@H](C)C1CC1 388734621 538436596 /nfs/dbraw/zinc/43/65/96/538436596.db2.gz WHVHAHHUTIXGSU-KOLCDFICSA-N 1 0 185.311 1.639 20 0 ADADRO CC(C)[C@H](CO)C[NH2+][C@@H](C)C1CC1 388734623 538436602 /nfs/dbraw/zinc/43/66/02/538436602.db2.gz WHVHAHHUTIXGSU-ONGXEEELSA-N 1 0 185.311 1.639 20 0 ADADRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)C1CC1 388734620 538436651 /nfs/dbraw/zinc/43/66/51/538436651.db2.gz WHVHAHHUTIXGSU-GXSJLCMTSA-N 1 0 185.311 1.639 20 0 ADADRO CC1(C[NH2+]C2(C3CC3)CC2)COC1 388717354 538436670 /nfs/dbraw/zinc/43/66/70/538436670.db2.gz RFLZHZCGWNBNDZ-UHFFFAOYSA-N 1 0 181.279 1.555 20 0 ADADRO OCC[C@@H]1CCC[N@@H+]1CCCCF 388704717 538436704 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20 0 ADADRO C[C@H](O)C[NH2+]C/C=C/c1cccnc1 1120514107 757810395 /nfs/dbraw/zinc/81/03/95/757810395.db2.gz ORNDYHNLCITHME-YWNRKNDBSA-N 1 0 192.262 1.065 20 0 ADADRO C[C@H](O)[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F 1120500765 757810638 /nfs/dbraw/zinc/81/06/38/757810638.db2.gz QKESIQZTVHAQLY-VWDOSNQTSA-N 1 0 197.200 1.296 20 0 ADADRO CC(C)CC[C@H](O)C[NH2+]CCCF 1120495879 757810692 /nfs/dbraw/zinc/81/06/92/757810692.db2.gz VEEOGVJOMFLFHD-JTQLQIEISA-N 1 0 191.290 1.733 20 0 ADADRO CC[C@@H]([NH2+]C[C@H](C)O)c1ccccn1 1120519130 757811184 /nfs/dbraw/zinc/81/11/84/757811184.db2.gz BYLYUNQQNXCNGO-VHSXEESVSA-N 1 0 194.278 1.503 20 0 ADADRO O[C@H](C[NH2+]CCF)Cc1ccccc1 1120571277 757811265 /nfs/dbraw/zinc/81/12/65/757811265.db2.gz ZKKACFLSCVUMOD-NSHDSACASA-N 1 0 197.253 1.149 20 0 ADADRO Cc1cccnc1[C@H](C)[NH2+]C[C@H](C)O 1120566592 757811301 /nfs/dbraw/zinc/81/13/01/757811301.db2.gz PVPPDTLUKNHIMA-UWVGGRQHSA-N 1 0 194.278 1.421 20 0 ADADRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H](C)O 1120500761 757811313 /nfs/dbraw/zinc/81/13/13/757811313.db2.gz QKESIQZTVHAQLY-BDVNFPICSA-N 1 0 197.200 1.296 20 0 ADADRO C=CC(=O)NCC[N@@H+](CC)C(C)C 1120553292 757811479 /nfs/dbraw/zinc/81/14/79/757811479.db2.gz XKNSFSXYERXJSE-UHFFFAOYSA-N 1 0 184.283 1.019 20 0 ADADRO C[C@H](O)C[NH2+][C@H](C)c1ncccc1F 1120500607 757811694 /nfs/dbraw/zinc/81/16/94/757811694.db2.gz PVCCNMZJOBXVEZ-JGVFFNPUSA-N 1 0 198.241 1.252 20 0 ADADRO C[C@@H](O)[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F 1120500764 757811840 /nfs/dbraw/zinc/81/18/40/757811840.db2.gz QKESIQZTVHAQLY-DBRKOABJSA-N 1 0 197.200 1.296 20 0 ADADRO CC(C)CC[C@@H](O)C[NH2+]CCCF 1120495891 757812000 /nfs/dbraw/zinc/81/20/00/757812000.db2.gz VEEOGVJOMFLFHD-SNVBAGLBSA-N 1 0 191.290 1.733 20 0 ADADRO O[C@@H](C[NH2+]CCF)Cc1ccccc1 1120571275 757812044 /nfs/dbraw/zinc/81/20/44/757812044.db2.gz ZKKACFLSCVUMOD-LLVKDONJSA-N 1 0 197.253 1.149 20 0 ADADRO C[C@H](O)[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F 1120500767 757812380 /nfs/dbraw/zinc/81/23/80/757812380.db2.gz QKESIQZTVHAQLY-XZBKPIIZSA-N 1 0 197.200 1.296 20 0 ADADRO C[C@H](O)C[NH2+]C/C=C\c1cccnc1 1120514105 757812519 /nfs/dbraw/zinc/81/25/19/757812519.db2.gz ORNDYHNLCITHME-GQPNGRKGSA-N 1 0 192.262 1.065 20 0 ADADRO Cc1cccnc1[C@@H](C)[NH2+]C[C@H](C)O 1120566593 757812573 /nfs/dbraw/zinc/81/25/73/757812573.db2.gz PVPPDTLUKNHIMA-VHSXEESVSA-N 1 0 194.278 1.421 20 0 ADADRO CC[C@@H](C)C[NH2+]CCc1cnccn1 308490162 573070826 /nfs/dbraw/zinc/07/08/26/573070826.db2.gz BIURMIDQZHXITM-SNVBAGLBSA-N 1 0 193.294 1.655 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](F)C1 1120603102 757813059 /nfs/dbraw/zinc/81/30/59/757813059.db2.gz JWOHVZDWASLQOU-HLTSFMKQSA-N 1 0 175.247 1.238 20 0 ADADRO CO[C@@H](C[NH2+]C[C@@H](C)O)C(C)(C)C 1120590685 757813162 /nfs/dbraw/zinc/81/31/62/757813162.db2.gz QFVASWNPEIAEJA-BDAKNGLRSA-N 1 0 189.299 1.018 20 0 ADADRO CSC[C@@H](O)C[NH2+][C@H]1C=CCC1 1120581615 757813188 /nfs/dbraw/zinc/81/31/88/757813188.db2.gz CISATHKJPPETHF-IUCAKERBSA-N 1 0 187.308 1.019 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1C[C@H]1CC(C)(C)C 1120604195 757813359 /nfs/dbraw/zinc/81/33/59/757813359.db2.gz QWPIFIBPJPAAIY-LPEHRKFASA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H](O)C[NH2+]C/C=C\c1cccnc1 1120603286 757813416 /nfs/dbraw/zinc/81/34/16/757813416.db2.gz ORNDYHNLCITHME-WUWIAWFRSA-N 1 0 192.262 1.065 20 0 ADADRO CO[C@@H](C[NH2+]C[C@H](C)O)C(C)(C)C 1120590688 757813479 /nfs/dbraw/zinc/81/34/79/757813479.db2.gz QFVASWNPEIAEJA-IUCAKERBSA-N 1 0 189.299 1.018 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CCC[C@H](F)C1 1120603105 757813506 /nfs/dbraw/zinc/81/35/06/757813506.db2.gz JWOHVZDWASLQOU-VGMNWLOBSA-N 1 0 175.247 1.238 20 0 ADADRO CSC[C@H](O)C[NH2+][C@@H]1C=CCC1 1120581616 757813725 /nfs/dbraw/zinc/81/37/25/757813725.db2.gz CISATHKJPPETHF-RKDXNWHRSA-N 1 0 187.308 1.019 20 0 ADADRO CC[C@@H]([NH2+]C[C@@H](C)O)c1ccccn1 1120607147 757813968 /nfs/dbraw/zinc/81/39/68/757813968.db2.gz BYLYUNQQNXCNGO-NXEZZACHSA-N 1 0 194.278 1.503 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1 1120607343 757814042 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CISATHKJPPETHF-DTWKUNHWSA-N 1 0 187.308 1.019 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CCC[C@H](F)C1 1120603103 757814746 /nfs/dbraw/zinc/81/47/46/757814746.db2.gz JWOHVZDWASLQOU-HRDYMLBCSA-N 1 0 175.247 1.238 20 0 ADADRO CO[C@H](C[NH2+]C[C@H](C)O)C(C)(C)C 1120590687 757815080 /nfs/dbraw/zinc/81/50/80/757815080.db2.gz QFVASWNPEIAEJA-DTWKUNHWSA-N 1 0 189.299 1.018 20 0 ADADRO CC[C@H](C)Nc1nccnc1C[NH3+] 1120792571 757818846 /nfs/dbraw/zinc/81/88/46/757818846.db2.gz ZQAHTBOJWGWVDZ-ZETCQYMHSA-N 1 0 180.255 1.146 20 0 ADADRO CCc1ccc(NC[C@H](C)O)nc1 1120830345 757819539 /nfs/dbraw/zinc/81/95/39/757819539.db2.gz QKFHVSRQSZWRGU-QMMMGPOBSA-N 1 0 180.251 1.437 20 0 ADADRO CC[C@@H](C)Nc1nccnc1C[NH3+] 1120792563 757819808 /nfs/dbraw/zinc/81/98/08/757819808.db2.gz ZQAHTBOJWGWVDZ-SSDOTTSWSA-N 1 0 180.255 1.146 20 0 ADADRO C[C@H](Nc1nccnc1C[NH3+])C1CC1 1120938547 757822170 /nfs/dbraw/zinc/82/21/70/757822170.db2.gz RBHMJIYUOOMEQH-ZETCQYMHSA-N 1 0 192.266 1.146 20 0 ADADRO CC1(CNc2nccnc2C[NH3+])CC1 1120901382 757823312 /nfs/dbraw/zinc/82/33/12/757823312.db2.gz MZHJZTZKNQSZFB-UHFFFAOYSA-N 1 0 192.266 1.147 20 0 ADADRO CC[C@H](O)C[N@H+](C)CCC(F)(F)F 82491807 573076820 /nfs/dbraw/zinc/07/68/20/573076820.db2.gz FISGAHAEWKIHBT-ZETCQYMHSA-N 1 0 199.216 1.642 20 0 ADADRO C[C@@H](C[NH3+])CNC(=O)CCC1(C)CC1 1122010435 757827678 /nfs/dbraw/zinc/82/76/78/757827678.db2.gz NRVRVCDWMAYEDI-VIFPVBQESA-N 1 0 198.310 1.278 20 0 ADADRO C[NH2+]CCN(C)C(=O)CCC1(C)CC1 1122010613 757828233 /nfs/dbraw/zinc/82/82/33/757828233.db2.gz UNFQYNBGCOZUOY-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@H](C[NH3+])CNC(=O)CCC1(C)CC1 1122010434 757828598 /nfs/dbraw/zinc/82/85/98/757828598.db2.gz NRVRVCDWMAYEDI-SECBINFHSA-N 1 0 198.310 1.278 20 0 ADADRO CN(CCC[NH3+])C(=O)CCC1(C)CC1 1122110253 757830284 /nfs/dbraw/zinc/83/02/84/757830284.db2.gz BMUHFYAPDYCQNS-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO CC(C)C[C@H]([NH3+])CC(=O)NC1CCC1 1122111056 757831746 /nfs/dbraw/zinc/83/17/46/757831746.db2.gz PMPIMWUPDWIRLZ-VIFPVBQESA-N 1 0 198.310 1.419 20 0 ADADRO CCC[NH2+][C@H](C)C(=O)NC1(C)CCC1 1122066913 757831952 /nfs/dbraw/zinc/83/19/52/757831952.db2.gz UPTIFIYPPMVORK-SECBINFHSA-N 1 0 198.310 1.433 20 0 ADADRO c1ccc2c(c1)C[C@@H]2COC1C[NH2+]C1 85574925 573080072 /nfs/dbraw/zinc/08/00/72/573080072.db2.gz BGONRVVKQOITNT-SNVBAGLBSA-N 1 0 189.258 1.315 20 0 ADADRO CCC[NH2+][C@@H](C)C(=O)NC1(C)CCC1 1122066914 757832600 /nfs/dbraw/zinc/83/26/00/757832600.db2.gz UPTIFIYPPMVORK-VIFPVBQESA-N 1 0 198.310 1.433 20 0 ADADRO CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)C[NH3+] 1122225373 757833360 /nfs/dbraw/zinc/83/33/60/757833360.db2.gz VSWAMHNKFZZZGB-BDAKNGLRSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 1122307108 757833541 /nfs/dbraw/zinc/83/35/41/757833541.db2.gz TUNFZKAHGLDSJQ-HRDYMLBCSA-N 1 0 196.294 1.042 20 0 ADADRO C[NH2+]CCC(=O)NCC(C)(C)C1CC1 1122268264 757833800 /nfs/dbraw/zinc/83/38/00/757833800.db2.gz XEADYEDGOYRXHA-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO CC(C)(C)[C@H]1CCC[C@H]1NC(=O)C[NH3+] 1122225374 757833831 /nfs/dbraw/zinc/83/38/31/757833831.db2.gz VSWAMHNKFZZZGB-DTWKUNHWSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)C[NH3+] 1122225376 757834021 /nfs/dbraw/zinc/83/40/21/757834021.db2.gz VSWAMHNKFZZZGB-RKDXNWHRSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)C[NH3+] 1122225375 757834515 /nfs/dbraw/zinc/83/45/15/757834515.db2.gz VSWAMHNKFZZZGB-IUCAKERBSA-N 1 0 198.310 1.276 20 0 ADADRO CC[NH2+]CC(=O)N1CCCC12CCC2 1122169501 757834644 /nfs/dbraw/zinc/83/46/44/757834644.db2.gz LZDFIDBDFYITKG-UHFFFAOYSA-N 1 0 196.294 1.141 20 0 ADADRO CC/C=C/CC[NH2+]CCNC(=O)CC 1122349611 757835549 /nfs/dbraw/zinc/83/55/49/757835549.db2.gz LLTBBHDXNQONEM-AATRIKPKSA-N 1 0 198.310 1.459 20 0 ADADRO CC(C)C[NH2+]CCNC(=O)C1CCC1 1122475975 757835672 /nfs/dbraw/zinc/83/56/72/757835672.db2.gz BGQLHYQZOTZSDK-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO CC[C@H](C)[C@H](C)C(=O)NCC1([NH3+])CC1 1122348251 757835820 /nfs/dbraw/zinc/83/58/20/757835820.db2.gz FTOXVAFWGRLWQL-IUCAKERBSA-N 1 0 198.310 1.276 20 0 ADADRO CCCCC1(NC(=O)[C@@H](C)[NH3+])CC1 1122377471 757835925 /nfs/dbraw/zinc/83/59/25/757835925.db2.gz QEHJDJMXIKFUAA-MRVPVSSYSA-N 1 0 184.283 1.173 20 0 ADADRO CC/C=C\CC[NH2+]CCNC(=O)CC 1122349612 757836143 /nfs/dbraw/zinc/83/61/43/757836143.db2.gz LLTBBHDXNQONEM-WAYWQWQTSA-N 1 0 198.310 1.459 20 0 ADADRO CC[C@@H](C)[C@@H](C)C(=O)NCC1([NH3+])CC1 1122348252 757836506 /nfs/dbraw/zinc/83/65/06/757836506.db2.gz FTOXVAFWGRLWQL-RKDXNWHRSA-N 1 0 198.310 1.276 20 0 ADADRO CC/C=C/CC[NH2+]CCNC(C)=O 1122380439 757836527 /nfs/dbraw/zinc/83/65/27/757836527.db2.gz ZIPDNQKRGRRKDJ-SNAWJCMRSA-N 1 0 184.283 1.068 20 0 ADADRO CC[C@H](C)[C@@H](C)C(=O)NCC1([NH3+])CC1 1122348250 757836662 /nfs/dbraw/zinc/83/66/62/757836662.db2.gz FTOXVAFWGRLWQL-DTWKUNHWSA-N 1 0 198.310 1.276 20 0 ADADRO CCCC1(C(=O)NCC2([NH3+])CC2)CC1 1122349438 757836672 /nfs/dbraw/zinc/83/66/72/757836672.db2.gz QUFVFAMYXKLGOK-UHFFFAOYSA-N 1 0 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673965990 /nfs/dbraw/zinc/96/59/90/673965990.db2.gz AKVKEWHEUPMZRN-UHFFFAOYSA-N 1 0 197.282 1.316 20 0 ADADRO CC(C)C[C@H](O)C[NH2+]Cc1ccco1 163731025 673966003 /nfs/dbraw/zinc/96/60/03/673966003.db2.gz GUVSEYPYISUCMI-JTQLQIEISA-N 1 0 197.278 1.776 20 0 ADADRO C[C@@H]1C[N@H+](CCCC2CC2)[C@H](C)CN1 157114880 673966150 /nfs/dbraw/zinc/96/61/50/673966150.db2.gz UWGXROBZGHKRPJ-GHMZBOCLSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H]1CN[C@H](C)C[N@@H+]1CCCC1CC1 157115017 673966159 /nfs/dbraw/zinc/96/61/59/673966159.db2.gz UWGXROBZGHKRPJ-MNOVXSKESA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H](CC1CC1)[NH2+]Cc1ccon1 157109542 673966169 /nfs/dbraw/zinc/96/61/69/673966169.db2.gz XDTOQZXQZRCXEK-MRVPVSSYSA-N 1 0 180.251 1.953 20 0 ADADRO [NH3+][C@@H]1CCCN(CCCC2CC2)C1 157105300 673966175 /nfs/dbraw/zinc/96/61/75/673966175.db2.gz VMBLJSULXPRXTC-LLVKDONJSA-N 1 0 182.311 1.600 20 0 ADADRO CC[C@@](C)(CCO)[NH2+]Cc1cnc[nH]1 166044194 673966341 /nfs/dbraw/zinc/96/63/41/673966341.db2.gz JHGXGWZRXWMLEV-JTQLQIEISA-N 1 0 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20 0 ADADRO CC[N@@H+]1CCCCC[C@@H]1CNC(C)=O 968719322 674078225 /nfs/dbraw/zinc/07/82/25/674078225.db2.gz KIJUKXNVAKAONP-LLVKDONJSA-N 1 0 198.310 1.387 20 0 ADADRO CCCC[N@@H+]1CC[C@@H](NC(=O)CC)C1 1009821840 674078494 /nfs/dbraw/zinc/07/84/94/674078494.db2.gz GJUCPFWCEATPCG-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO CCC(=O)N[C@@H]1CC[N@H+](CC(C)C)C1 1009788567 674078515 /nfs/dbraw/zinc/07/85/15/674078515.db2.gz ASLNPAJZJJMVFB-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCC(=O)N[C@H]1CC[N@H+](CC(C)C)C1 1009788546 674078627 /nfs/dbraw/zinc/07/86/27/674078627.db2.gz ASLNPAJZJJMVFB-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 722587044 674079039 /nfs/dbraw/zinc/07/90/39/674079039.db2.gz ZFEOXHDIKVFLSW-IIRVCBMXSA-N 1 0 195.306 1.345 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1[C@@H](C)CNC[C@H]1C 723073278 674079055 /nfs/dbraw/zinc/07/90/55/674079055.db2.gz KBHCKQDSODNHOJ-KXNHARMFSA-N 1 0 196.338 1.715 20 0 ADADRO CC(=O)N1CCC([N@@H+](C)C(C)C)CC1 200125535 1169298649 /nfs/dbraw/zinc/29/86/49/1169298649.db2.gz YYPLZCKHEBAEFF-UHFFFAOYSA-N 1 0 198.310 1.338 20 0 ADADRO CC[C@@H]1C[C@H]1C[NH+]1C[C@@H](C)N[C@H](C)C1 723116966 674079068 /nfs/dbraw/zinc/07/90/68/674079068.db2.gz XUSDEHCLJCWJOR-KKOKHZNYSA-N 1 0 196.338 1.715 20 0 ADADRO CC[C@@H](CO)[N@H+](C)C[C@H]1CC1(C)C 722586037 674079109 /nfs/dbraw/zinc/07/91/09/674079109.db2.gz UBQPVKVPSMWZIV-ZJUUUORDSA-N 1 0 185.311 1.735 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@H+](C)C1(CN)CCC1 723101892 674079137 /nfs/dbraw/zinc/07/91/37/674079137.db2.gz JGSBUHGBFYOKDW-MNOVXSKESA-N 1 0 196.338 1.846 20 0 ADADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC2(C1)OCCO2 722866016 674079207 /nfs/dbraw/zinc/07/92/07/674079207.db2.gz GUOIMWCNLLRGJM-NXEZZACHSA-N 1 0 197.278 1.091 20 0 ADADRO CC(C)C1(O)C[NH+](C[C@@H]2C[C@@H]2C)C1 722544888 674079219 /nfs/dbraw/zinc/07/92/19/674079219.db2.gz CFUUKVMKFCUUID-UWVGGRQHSA-N 1 0 183.295 1.345 20 0 ADADRO C/C=C\C(=O)NCC[NH+](CC)CC 200104954 1169298944 /nfs/dbraw/zinc/29/89/44/1169298944.db2.gz QAWRUQMFCDCXAI-DAXSKMNVSA-N 1 0 184.283 1.021 20 0 ADADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](CO)CC1 722578716 674079416 /nfs/dbraw/zinc/07/94/16/674079416.db2.gz HSPRTMZTGYXIES-IJLUTSLNSA-N 1 0 197.322 1.737 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCN[C@@H](C)[C@@H]1C 723139838 674079420 /nfs/dbraw/zinc/07/94/20/674079420.db2.gz YATXALSVJSXZQX-YFKTTZPYSA-N 1 0 196.338 1.715 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCN[C@H](C)[C@H]1C 723139835 674079444 /nfs/dbraw/zinc/07/94/44/674079444.db2.gz YATXALSVJSXZQX-KKOKHZNYSA-N 1 0 196.338 1.715 20 0 ADADRO CCCCNC(=O)C[C@@H]1C[NH2+]C[C@H]1C 722533208 674079449 /nfs/dbraw/zinc/07/94/49/674079449.db2.gz DWKOHSNICMBRIR-NXEZZACHSA-N 1 0 198.310 1.148 20 0 ADADRO CC[C@H](CO)[N@H+](C)C[C@H]1CC1(C)C 722586029 674079451 /nfs/dbraw/zinc/07/94/51/674079451.db2.gz UBQPVKVPSMWZIV-NXEZZACHSA-N 1 0 185.311 1.735 20 0 ADADRO CC[C@@H]1C[C@H]1C[NH+]1C[C@H](C)N[C@@H](C)C1 723116967 674079464 /nfs/dbraw/zinc/07/94/64/674079464.db2.gz XUSDEHCLJCWJOR-YFKTTZPYSA-N 1 0 196.338 1.715 20 0 ADADRO C[C@H]1C[C@H]1C[N@@H+]1CCC2(C1)OCCO2 722866017 674079468 /nfs/dbraw/zinc/07/94/68/674079468.db2.gz GUOIMWCNLLRGJM-UWVGGRQHSA-N 1 0 197.278 1.091 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](O)C[C@@H]1C 723148195 674079499 /nfs/dbraw/zinc/07/94/99/674079499.db2.gz CHDUWMPMZMWNSP-ZRUFSTJUSA-N 1 0 183.295 1.488 20 0 ADADRO CC(C)N(C)C(=O)C[C@@H]1C[NH2+]C[C@H]1C 722534765 674079501 /nfs/dbraw/zinc/07/95/01/674079501.db2.gz MCHNLHSBTVBZRX-NXEZZACHSA-N 1 0 198.310 1.099 20 0 ADADRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC(C)(C)C 722535596 674079504 /nfs/dbraw/zinc/07/95/04/674079504.db2.gz QZWUJUKVOGWHTL-RKDXNWHRSA-N 1 0 198.310 1.147 20 0 ADADRO CCCN(C)C(=O)C[C@@H]1C[NH2+]C[C@H]1C 722533379 674079529 /nfs/dbraw/zinc/07/95/29/674079529.db2.gz FFIUJWPLVZETAK-NXEZZACHSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC2(C1)OCCO2 722866019 674079535 /nfs/dbraw/zinc/07/95/35/674079535.db2.gz GUOIMWCNLLRGJM-ZJUUUORDSA-N 1 0 197.278 1.091 20 0 ADADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](CO)CC1 722578717 674079568 /nfs/dbraw/zinc/07/95/68/674079568.db2.gz HSPRTMZTGYXIES-UTUOFQBUSA-N 1 0 197.322 1.737 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](O)C[C@@H]1C 723148193 674079579 /nfs/dbraw/zinc/07/95/79/674079579.db2.gz CHDUWMPMZMWNSP-VLEAKVRGSA-N 1 0 183.295 1.488 20 0 ADADRO CC(C)C1(O)C[NH+](C[C@H]2C[C@@H]2C)C1 722544889 674079583 /nfs/dbraw/zinc/07/95/83/674079583.db2.gz CFUUKVMKFCUUID-VHSXEESVSA-N 1 0 183.295 1.345 20 0 ADADRO C[C@H]1C[C@H]1C[N@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 722587046 674079642 /nfs/dbraw/zinc/07/96/42/674079642.db2.gz ZFEOXHDIKVFLSW-NGDQXYMTSA-N 1 0 195.306 1.345 20 0 ADADRO C[C@H]1C[C@@H]1C[N@@H+]1CCC2(C1)OCCO2 722866018 674079709 /nfs/dbraw/zinc/07/97/09/674079709.db2.gz GUOIMWCNLLRGJM-VHSXEESVSA-N 1 0 197.278 1.091 20 0 ADADRO CC(C)C1(O)C[NH+](C[C@H]2C[C@H]2C)C1 722544887 674079737 /nfs/dbraw/zinc/07/97/37/674079737.db2.gz CFUUKVMKFCUUID-NXEZZACHSA-N 1 0 183.295 1.345 20 0 ADADRO CCN(CC)C(=O)C[C@@H]1C[NH2+]C[C@H]1C 722535812 674079773 /nfs/dbraw/zinc/07/97/73/674079773.db2.gz RKEQBEGBFHSQSW-NXEZZACHSA-N 1 0 198.310 1.100 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCN[C@H](C)[C@@H]1C 723139836 674079780 /nfs/dbraw/zinc/07/97/80/674079780.db2.gz YATXALSVJSXZQX-KXNHARMFSA-N 1 0 196.338 1.715 20 0 ADADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](CO)CC1 722578715 674080060 /nfs/dbraw/zinc/08/00/60/674080060.db2.gz HSPRTMZTGYXIES-GRYCIOLGSA-N 1 0 197.322 1.737 20 0 ADADRO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](CO)CC1 722578718 674080068 /nfs/dbraw/zinc/08/00/68/674080068.db2.gz HSPRTMZTGYXIES-WOPDTQHZSA-N 1 0 197.322 1.737 20 0 ADADRO CC[C@H](CO)[N@H+](C)C[C@@H]1CC1(C)C 722586035 674079971 /nfs/dbraw/zinc/07/99/71/674079971.db2.gz UBQPVKVPSMWZIV-VHSXEESVSA-N 1 0 185.311 1.735 20 0 ADADRO CC(C)C1(O)C[NH+](C[C@@H]2C[C@H]2C)C1 722544890 674080006 /nfs/dbraw/zinc/08/00/06/674080006.db2.gz CFUUKVMKFCUUID-ZJUUUORDSA-N 1 0 183.295 1.345 20 0 ADADRO CC(C)CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C 722536194 674080023 /nfs/dbraw/zinc/08/00/23/674080023.db2.gz UILBOVPJYMIBIA-NXEZZACHSA-N 1 0 198.310 1.004 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](O)C1 723107805 674080033 /nfs/dbraw/zinc/08/00/33/674080033.db2.gz DNUBHTNRVZCITB-UTLUCORTSA-N 1 0 169.268 1.099 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](O)C[C@H]1C 723148192 674080040 /nfs/dbraw/zinc/08/00/40/674080040.db2.gz CHDUWMPMZMWNSP-CHWFTXMASA-N 1 0 183.295 1.488 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](O)C[C@H]1C 723148194 674080042 /nfs/dbraw/zinc/08/00/42/674080042.db2.gz CHDUWMPMZMWNSP-ZNSHCXBVSA-N 1 0 183.295 1.488 20 0 ADADRO C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 722587041 674080055 /nfs/dbraw/zinc/08/00/55/674080055.db2.gz ZFEOXHDIKVFLSW-HGCLJGPKSA-N 1 0 195.306 1.345 20 0 ADADRO CC(=O)N1CC[C@@H]([NH2+]C(C)C)C[C@@H]1C 1044392755 674080404 /nfs/dbraw/zinc/08/04/04/674080404.db2.gz FYZDIXNSCQQZNM-GXSJLCMTSA-N 1 0 198.310 1.384 20 0 ADADRO CCC[NH2+][C@H]1CCN(C(C)=O)[C@H](C)C1 1044392008 674080436 /nfs/dbraw/zinc/08/04/36/674080436.db2.gz ASAVTOXJOFVPTC-KOLCDFICSA-N 1 0 198.310 1.385 20 0 ADADRO CCC(=O)N1CCC[C@H]1C[NH2+]C(C)C 1044884426 674080440 /nfs/dbraw/zinc/08/04/40/674080440.db2.gz JHJSKJHRDLZDNO-JTQLQIEISA-N 1 0 198.310 1.385 20 0 ADADRO CCc1nc(C)cc(SCC[NH3+])n1 900020461 674080526 /nfs/dbraw/zinc/08/05/26/674080526.db2.gz ALGWLETVENYEBD-UHFFFAOYSA-N 1 0 197.307 1.398 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]CCO[C@H]1CCOC1 724925250 674080543 /nfs/dbraw/zinc/08/05/43/674080543.db2.gz KMMKFOFSFSAZND-MXWKQRLJSA-N 1 0 199.294 1.038 20 0 ADADRO CC(=O)N1CC[C@H]([NH2+]C(C)C)C[C@@H]1C 1044392758 674080576 /nfs/dbraw/zinc/08/05/76/674080576.db2.gz FYZDIXNSCQQZNM-ONGXEEELSA-N 1 0 198.310 1.384 20 0 ADADRO CC1(C[NH2+]CCO[C@H]2CCOC2)CC1 724924412 674080587 /nfs/dbraw/zinc/08/05/87/674080587.db2.gz HKRRIXJJFNCKNS-JTQLQIEISA-N 1 0 199.294 1.182 20 0 ADADRO CCCC[NH+]1CC(N(C)C(=O)CC)C1 1042389248 674080588 /nfs/dbraw/zinc/08/05/88/674080588.db2.gz JAKQBCYXDGYFKA-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO CC(=O)c1ccnc(SCC[NH3+])c1 900021840 674080602 /nfs/dbraw/zinc/08/06/02/674080602.db2.gz CPVPKLKXIBHTJP-UHFFFAOYSA-N 1 0 196.275 1.335 20 0 ADADRO CCC[NH2+][C@H]1CCN(C(C)=O)[C@@H](C)C1 1044392012 674080621 /nfs/dbraw/zinc/08/06/21/674080621.db2.gz ASAVTOXJOFVPTC-ONGXEEELSA-N 1 0 198.310 1.385 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]CCO[C@@H]1CCOC1 724925253 674080629 /nfs/dbraw/zinc/08/06/29/674080629.db2.gz KMMKFOFSFSAZND-OUAUKWLOSA-N 1 0 199.294 1.038 20 0 ADADRO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CNOC1 724639678 674080632 /nfs/dbraw/zinc/08/06/32/674080632.db2.gz RLTAMBWXIMQDHZ-AEJSXWLSSA-N 1 0 184.283 1.058 20 0 ADADRO CC(=O)N1CC[C@H]([NH2+]C(C)C)C[C@H]1C 1044392756 674080635 /nfs/dbraw/zinc/08/06/35/674080635.db2.gz FYZDIXNSCQQZNM-KOLCDFICSA-N 1 0 198.310 1.384 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]CCO[C@@H]1CCOC1 724925248 674080636 /nfs/dbraw/zinc/08/06/36/674080636.db2.gz KMMKFOFSFSAZND-GMTAPVOTSA-N 1 0 199.294 1.038 20 0 ADADRO CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)C 1044925873 674080647 /nfs/dbraw/zinc/08/06/47/674080647.db2.gz JBACYCPGKCASQY-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@@H](C)C[NH+]1CC(N(C)C(C)=O)C1 1042390150 674080676 /nfs/dbraw/zinc/08/06/76/674080676.db2.gz PUTJAMLYCARETE-SECBINFHSA-N 1 0 198.310 1.195 20 0 ADADRO CCC[NH2+][C@@H]1CCN(C(C)=O)[C@H](C)C1 1044392010 674080701 /nfs/dbraw/zinc/08/07/01/674080701.db2.gz ASAVTOXJOFVPTC-MWLCHTKSSA-N 1 0 198.310 1.385 20 0 ADADRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)C[C@@H](C)O1 724503955 674080706 /nfs/dbraw/zinc/08/07/06/674080706.db2.gz XTUFTLRURGHLQV-ZKKRXERASA-N 1 0 199.294 1.055 20 0 ADADRO CCC[NH2+][C@@H]1CCN(C(C)=O)[C@@H](C)C1 1044392000 674080721 /nfs/dbraw/zinc/08/07/21/674080721.db2.gz ASAVTOXJOFVPTC-GXSJLCMTSA-N 1 0 198.310 1.385 20 0 ADADRO CCc1cc(SCC[NH3+])ncn1 900020894 674080723 /nfs/dbraw/zinc/08/07/23/674080723.db2.gz GJJKUZDNKFBTRP-UHFFFAOYSA-N 1 0 183.280 1.090 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CNOC1 724639680 674080730 /nfs/dbraw/zinc/08/07/30/674080730.db2.gz RLTAMBWXIMQDHZ-IVZWLZJFSA-N 1 0 184.283 1.058 20 0 ADADRO CC[C@H](C)C[NH+]1CC(N(C)C(C)=O)C1 1042390151 674080731 /nfs/dbraw/zinc/08/07/31/674080731.db2.gz PUTJAMLYCARETE-VIFPVBQESA-N 1 0 198.310 1.195 20 0 ADADRO CC(=O)N1CC[C@@H]([NH2+]C(C)C)C[C@H]1C 1044392757 674080741 /nfs/dbraw/zinc/08/07/41/674080741.db2.gz FYZDIXNSCQQZNM-MWLCHTKSSA-N 1 0 198.310 1.384 20 0 ADADRO CC(=O)NC1(C)CC[NH+](C(C)C)CC1 1045337881 674080765 /nfs/dbraw/zinc/08/07/65/674080765.db2.gz RADNXMPHWNJPHH-UHFFFAOYSA-N 1 0 198.310 1.385 20 0 ADADRO CCCC(=O)N1CCC[C@H]1C[NH2+]CC 1044899707 674080826 /nfs/dbraw/zinc/08/08/26/674080826.db2.gz UADDKKYUCUSUQW-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CCC[NH+]1CCC(C)(NC(C)=O)CC1 1045339267 674080968 /nfs/dbraw/zinc/08/09/68/674080968.db2.gz YPTYVSJCJHGVGC-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO CC(=O)N[C@@]1(C)CC[N@@H+](CC(C)C)C1 1046088714 674081282 /nfs/dbraw/zinc/08/12/82/674081282.db2.gz UCAKUHSOIMMGJV-NSHDSACASA-N 1 0 198.310 1.243 20 0 ADADRO CC(=O)N[C@]1(C)CC[N@@H+](CC(C)C)C1 1046088713 674081347 /nfs/dbraw/zinc/08/13/47/674081347.db2.gz UCAKUHSOIMMGJV-LLVKDONJSA-N 1 0 198.310 1.243 20 0 ADADRO CC[NH2+]C[C@H]1CN(C(=O)CC)C[C@@H]1C 1048091193 674081565 /nfs/dbraw/zinc/08/15/65/674081565.db2.gz KQRCAEVDQGMGHE-UWVGGRQHSA-N 1 0 198.310 1.100 20 0 ADADRO CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]C(C)C)C1 1047658414 674081575 /nfs/dbraw/zinc/08/15/75/674081575.db2.gz IJTOZBMVYOKLIL-MWLCHTKSSA-N 1 0 198.310 1.241 20 0 ADADRO CC[NH2+]C[C@H]1CN(C(=O)CC)C[C@H]1C 1048091196 674081594 /nfs/dbraw/zinc/08/15/94/674081594.db2.gz KQRCAEVDQGMGHE-ZJUUUORDSA-N 1 0 198.310 1.100 20 0 ADADRO CC(=O)N1CC[C@H]([C@@H](C)[NH2+]C(C)C)C1 1047658411 674081607 /nfs/dbraw/zinc/08/16/07/674081607.db2.gz IJTOZBMVYOKLIL-KOLCDFICSA-N 1 0 198.310 1.241 20 0 ADADRO CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC)C1 1047652706 674081611 /nfs/dbraw/zinc/08/16/11/674081611.db2.gz ZAULZEFJHRVBEV-VHSXEESVSA-N 1 0 198.310 1.243 20 0 ADADRO CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC)C1 1047652704 674081621 /nfs/dbraw/zinc/08/16/21/674081621.db2.gz ZAULZEFJHRVBEV-NXEZZACHSA-N 1 0 198.310 1.243 20 0 ADADRO CC[NH2+]C[C@@H]1CN(C(=O)CC)C[C@H]1C 1048091190 674081625 /nfs/dbraw/zinc/08/16/25/674081625.db2.gz KQRCAEVDQGMGHE-NXEZZACHSA-N 1 0 198.310 1.100 20 0 ADADRO CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC)C1 1047652707 674081631 /nfs/dbraw/zinc/08/16/31/674081631.db2.gz ZAULZEFJHRVBEV-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC)C1 1047652705 674081641 /nfs/dbraw/zinc/08/16/41/674081641.db2.gz ZAULZEFJHRVBEV-UWVGGRQHSA-N 1 0 198.310 1.243 20 0 ADADRO CC(=O)N1CC[C@@H]([C@H](C)[NH2+]C(C)C)C1 1047658407 674081644 /nfs/dbraw/zinc/08/16/44/674081644.db2.gz IJTOZBMVYOKLIL-GXSJLCMTSA-N 1 0 198.310 1.241 20 0 ADADRO CC(=O)N1CC[C@H]([C@H](C)[NH2+]C(C)C)C1 1047658418 674081651 /nfs/dbraw/zinc/08/16/51/674081651.db2.gz IJTOZBMVYOKLIL-ONGXEEELSA-N 1 0 198.310 1.241 20 0 ADADRO CC[NH2+]C[C@@H]1CN(C(=O)CC)C[C@@H]1C 1048091194 674081665 /nfs/dbraw/zinc/08/16/65/674081665.db2.gz KQRCAEVDQGMGHE-VHSXEESVSA-N 1 0 198.310 1.100 20 0 ADADRO CCC(=O)N[C@H]1CCC[N@@H+](CC)CC1 1052127592 674081990 /nfs/dbraw/zinc/08/19/90/674081990.db2.gz ZOJYFZNPPOXUIA-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(C)=O 1049265474 674081996 /nfs/dbraw/zinc/08/19/96/674081996.db2.gz RNANQPUKOFVJLL-WDEREUQCSA-N 1 0 196.294 1.092 20 0 ADADRO CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC)C1 1054328159 674082002 /nfs/dbraw/zinc/08/20/02/674082002.db2.gz BOGPTPXJCZGZFX-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO CCCC(=O)N1C[C@@H]([NH2+]CC)[C@H](C)C1 1054328156 674081931 /nfs/dbraw/zinc/08/19/31/674081931.db2.gz BOGPTPXJCZGZFX-NXEZZACHSA-N 1 0 198.310 1.243 20 0 ADADRO CCC[N@@H+]1CCC[C@H](NC(C)=O)CC1 1052137332 674082017 /nfs/dbraw/zinc/08/20/17/674082017.db2.gz XTRVFZJKOFBKSE-NSHDSACASA-N 1 0 198.310 1.387 20 0 ADADRO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(C)=O 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/nfs/dbraw/zinc/28/79/59/1170287959.db2.gz XGLKFZAOEOMGRO-WDEREUQCSA-N 1 0 197.278 1.076 20 0 ADADRO CC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 1331099645 1170288024 /nfs/dbraw/zinc/28/80/24/1170288024.db2.gz XGLKFZAOEOMGRO-MNOVXSKESA-N 1 0 197.278 1.076 20 0 ADADRO CC(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 1331099643 1170288188 /nfs/dbraw/zinc/28/81/88/1170288188.db2.gz XGLKFZAOEOMGRO-GHMZBOCLSA-N 1 0 197.278 1.076 20 0 ADADRO CC[N@H+](CC(=O)N(C)C)C(C)(C)C 1331091461 1170288545 /nfs/dbraw/zinc/28/85/45/1170288545.db2.gz LWVWWHQQTMZJRR-UHFFFAOYSA-N 1 0 186.299 1.195 20 0 ADADRO CC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 1331099647 1170288706 /nfs/dbraw/zinc/28/87/06/1170288706.db2.gz XGLKFZAOEOMGRO-QWRGUYRKSA-N 1 0 197.278 1.076 20 0 ADADRO CC[C@@H]([NH3+])C(=O)N1[C@@H](C)CCC1(C)C 1331333771 1170289017 /nfs/dbraw/zinc/28/90/17/1170289017.db2.gz BTWLPECOGDESSI-DTWKUNHWSA-N 1 0 198.310 1.513 20 0 ADADRO CCC[C@H](C)CCNC(=O)[C@@H](C)[NH3+] 1331365121 1170289399 /nfs/dbraw/zinc/28/93/99/1170289399.db2.gz SHALJVCLXQHPMC-DTWKUNHWSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H](C)CCNC(=O)[C@@H](C)[NH3+] 1331365122 1170289574 /nfs/dbraw/zinc/28/95/74/1170289574.db2.gz SHALJVCLXQHPMC-RKDXNWHRSA-N 1 0 186.299 1.276 20 0 ADADRO Cc1cc(C[NH2+]C[C@H]2C=CCC2)[nH]n1 1331290827 1170289958 /nfs/dbraw/zinc/28/99/58/1170289958.db2.gz XJSQIZNSNJLFIK-JTQLQIEISA-N 1 0 191.278 1.774 20 0 ADADRO Cc1cc(C[NH2+]C[C@@H]2C=CCC2)[nH]n1 1331290828 1170290011 /nfs/dbraw/zinc/29/00/11/1170290011.db2.gz XJSQIZNSNJLFIK-SNVBAGLBSA-N 1 0 191.278 1.774 20 0 ADADRO C[NH2+][C@@H](CC(C)C)C(=O)NC1(C)CC1 1331322336 1170290256 /nfs/dbraw/zinc/29/02/56/1170290256.db2.gz MFMIZZAKUDZAHE-VIFPVBQESA-N 1 0 198.310 1.289 20 0 ADADRO CCCC(=O)N(C)C[C@@H](C)[NH2+]CC 1331370153 1170290425 /nfs/dbraw/zinc/29/04/25/1170290425.db2.gz GABGFMQLNVBXOG-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO CC[C@@H]([NH3+])C(=O)N1[C@H](C)CCC1(C)C 1331333773 1170291357 /nfs/dbraw/zinc/29/13/57/1170291357.db2.gz BTWLPECOGDESSI-RKDXNWHRSA-N 1 0 198.310 1.513 20 0 ADADRO CCCC(=O)N(C)C[C@H](C)[NH2+]CC 1331370154 1170291520 /nfs/dbraw/zinc/29/15/20/1170291520.db2.gz GABGFMQLNVBXOG-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO C[NH2+][C@H](C)CCN[C@H](C)c1ccco1 1331834983 1170294714 /nfs/dbraw/zinc/29/47/14/1170294714.db2.gz OBDDTPMAANVRLW-NXEZZACHSA-N 1 0 196.294 1.928 20 0 ADADRO C[NH2+][C@H](C)CCN[C@@H](C)c1ccco1 1331834988 1170294776 /nfs/dbraw/zinc/29/47/76/1170294776.db2.gz OBDDTPMAANVRLW-ZJUUUORDSA-N 1 0 196.294 1.928 20 0 ADADRO CC(C)c1noc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1 1331847814 1170295400 /nfs/dbraw/zinc/29/54/00/1170295400.db2.gz RSUAQQSSSKXRSY-BIIVOSGPSA-N 1 0 193.250 1.473 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@@H]1NC/C=C/C1CC1 1331834654 1170295662 /nfs/dbraw/zinc/29/56/62/1170295662.db2.gz NADXBQAIBWKCHN-AKDQNTJRSA-N 1 0 194.322 1.540 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@@H]1NC/C=C\C1CC1 1331834659 1170295745 /nfs/dbraw/zinc/29/57/45/1170295745.db2.gz NADXBQAIBWKCHN-UVWWULRDSA-N 1 0 194.322 1.540 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@H]1NC/C=C/C1CC1 1331834657 1170295867 /nfs/dbraw/zinc/29/58/67/1170295867.db2.gz NADXBQAIBWKCHN-RXUHEVMZSA-N 1 0 194.322 1.540 20 0 ADADRO C1CC1c1noc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1 1331846056 1170296121 /nfs/dbraw/zinc/29/61/21/1170296121.db2.gz BUTTZRWENRBWSV-BIIVOSGPSA-N 1 0 191.234 1.227 20 0 ADADRO C[NH2+][C@@H](C)CCN[C@@H](C)c1ccco1 1331834985 1170296585 /nfs/dbraw/zinc/29/65/85/1170296585.db2.gz OBDDTPMAANVRLW-UWVGGRQHSA-N 1 0 196.294 1.928 20 0 ADADRO C[NH2+][C@@H](C)CCN[C@H](C)c1ccco1 1331834986 1170296599 /nfs/dbraw/zinc/29/65/99/1170296599.db2.gz OBDDTPMAANVRLW-VHSXEESVSA-N 1 0 196.294 1.928 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@H]1NC/C=C\C1CC1 1331834656 1170296727 /nfs/dbraw/zinc/29/67/27/1170296727.db2.gz NADXBQAIBWKCHN-IRSQKABVSA-N 1 0 194.322 1.540 20 0 ADADRO C[C@@H]1CCC(C)(C)N1C(=O)CC[NH3+] 1331983340 1170298010 /nfs/dbraw/zinc/29/80/10/1170298010.db2.gz LCTRXRUYUZLPAX-MRVPVSSYSA-N 1 0 184.283 1.125 20 0 ADADRO CC1=NO[C@H](C[NH2+]CCC(C)C)C1 1332009957 1170299228 /nfs/dbraw/zinc/29/92/28/1170299228.db2.gz ISNVAVWOMPVYPX-JTQLQIEISA-N 1 0 184.283 1.787 20 0 ADADRO C[C@H]1CCC(C)(C)N1C(=O)CC[NH3+] 1331983341 1170299914 /nfs/dbraw/zinc/29/99/14/1170299914.db2.gz LCTRXRUYUZLPAX-QMMMGPOBSA-N 1 0 184.283 1.125 20 0 ADADRO CC1=NO[C@@H](C[NH2+]CCC(C)C)C1 1332009958 1170300434 /nfs/dbraw/zinc/30/04/34/1170300434.db2.gz ISNVAVWOMPVYPX-SNVBAGLBSA-N 1 0 184.283 1.787 20 0 ADADRO CC1(C)[NH2+]CC[C@@H]1NC/C=C\C1CC1 1332400412 1170303804 /nfs/dbraw/zinc/30/38/04/1170303804.db2.gz HPRLBYMQGNCLFJ-BYCRGOAPSA-N 1 0 194.322 1.683 20 0 ADADRO CC1(C)[NH2+]CC[C@@H]1NC/C=C/C1CC1 1332400428 1170304505 /nfs/dbraw/zinc/30/45/05/1170304505.db2.gz HPRLBYMQGNCLFJ-UFFNRZRYSA-N 1 0 194.322 1.683 20 0 ADADRO C[C@@H](C(=O)N[C@@H]1C=CCCC1)[NH+](C)C 1332354644 1170304532 /nfs/dbraw/zinc/30/45/32/1170304532.db2.gz LDYNPAYXZCCUCB-VHSXEESVSA-N 1 0 196.294 1.161 20 0 ADADRO CC1(C)[NH2+]CC[C@H]1NC/C=C\C1CC1 1332400420 1170304811 /nfs/dbraw/zinc/30/48/11/1170304811.db2.gz 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187.258 1.646 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCN(C)[C@@H](C)C1 1332698686 1170309145 /nfs/dbraw/zinc/30/91/45/1170309145.db2.gz IUNRFDKKJFDZRZ-TUAOUCFPSA-N 1 0 196.338 1.668 20 0 ADADRO CC[C@@H]1C[C@H]1C[N@@H+]1CCN(C)[C@H](C)C1 1332698703 1170310636 /nfs/dbraw/zinc/31/06/36/1170310636.db2.gz IUNRFDKKJFDZRZ-UTUOFQBUSA-N 1 0 196.338 1.668 20 0 ADADRO CC1CC(C[N@@H+]2CCN(C)[C@H](C)C2)C1 1332700098 1170310706 /nfs/dbraw/zinc/31/07/06/1170310706.db2.gz PDRCZNXBCUHJBY-MOENNCHZSA-N 1 0 196.338 1.668 20 0 ADADRO CC1CC(C[N@@H+]2CCN(C)[C@@H](C)C2)C1 1332700097 1170311506 /nfs/dbraw/zinc/31/15/06/1170311506.db2.gz PDRCZNXBCUHJBY-CXQJBGSLSA-N 1 0 196.338 1.668 20 0 ADADRO CO[C@H]1CC[N@H+](CC2CC(C)C2)C1 1332653704 1170311591 /nfs/dbraw/zinc/31/15/91/1170311591.db2.gz QDPBDAQYISJQLK-ILDUYXDCSA-N 1 0 183.295 1.753 20 0 ADADRO CC[C@@H](CO)[N@H+]1CC=C(COC)CC1 1332897116 1170312728 /nfs/dbraw/zinc/31/27/28/1170312728.db2.gz ILLBWVKAUWRJTE-NSHDSACASA-N 1 0 199.294 1.036 20 0 ADADRO C[C@@H]([NH2+]C1(C)CC1)c1cn(C)cn1 1332878737 1170312840 /nfs/dbraw/zinc/31/28/40/1170312840.db2.gz MVRWBMRWQYXKHA-MRVPVSSYSA-N 1 0 179.267 1.623 20 0 ADADRO CC1CC(C[NH2+]C(C)(C)CC(N)=O)C1 1332871349 1170313074 /nfs/dbraw/zinc/31/30/74/1170313074.db2.gz KJYKOZIRUFOEJT-UHFFFAOYSA-N 1 0 198.310 1.276 20 0 ADADRO CO[C@H](C[NH2+]C1(C)CC1)[C@H]1CCOC1 1332979590 1170313147 /nfs/dbraw/zinc/31/31/47/1170313147.db2.gz BLJGAVMHWNMKHU-VHSXEESVSA-N 1 0 199.294 1.180 20 0 ADADRO CCC[NH2+]CCN[C@H](C)c1ncc[nH]1 1332878183 1170313154 /nfs/dbraw/zinc/31/31/54/1170313154.db2.gz KKEZPXWJADLSHW-SECBINFHSA-N 1 0 196.298 1.060 20 0 ADADRO C[N@H+](CCOC1CC1)CC1(O)CCC1 1332903471 1170313247 /nfs/dbraw/zinc/31/32/47/1170313247.db2.gz ULARBPUYSVMGNI-UHFFFAOYSA-N 1 0 199.294 1.012 20 0 ADADRO CO[C@@H](C[NH2+]C1(C)CC1)[C@@H]1CCOC1 1332979591 1170313259 /nfs/dbraw/zinc/31/32/59/1170313259.db2.gz BLJGAVMHWNMKHU-ZJUUUORDSA-N 1 0 199.294 1.180 20 0 ADADRO CO[C@@H](C[NH2+]C1(C)CC1)[C@H]1CCOC1 1332979589 1170313486 /nfs/dbraw/zinc/31/34/86/1170313486.db2.gz BLJGAVMHWNMKHU-UWVGGRQHSA-N 1 0 199.294 1.180 20 0 ADADRO CCC[NH2+]CCN[C@@H](C)c1ncc[nH]1 1332878184 1170313553 /nfs/dbraw/zinc/31/35/53/1170313553.db2.gz KKEZPXWJADLSHW-VIFPVBQESA-N 1 0 196.298 1.060 20 0 ADADRO CC[NH2+][C@H](C)c1cc(OC)ccn1 1332835025 1170314339 /nfs/dbraw/zinc/31/43/39/1170314339.db2.gz XXDKHBVYMPXCOC-MRVPVSSYSA-N 1 0 180.251 1.761 20 0 ADADRO CO[C@H](C[NH2+]C1(C)CC1)[C@@H]1CCOC1 1332979588 1170314357 /nfs/dbraw/zinc/31/43/57/1170314357.db2.gz BLJGAVMHWNMKHU-NXEZZACHSA-N 1 0 199.294 1.180 20 0 ADADRO CC[C@H](CO)[N@H+]1CC=C(COC)CC1 1332897115 1170314808 /nfs/dbraw/zinc/31/48/08/1170314808.db2.gz ILLBWVKAUWRJTE-LLVKDONJSA-N 1 0 199.294 1.036 20 0 ADADRO CC[NH2+][C@@H](C)c1cc(OC)ccn1 1332835032 1170315046 /nfs/dbraw/zinc/31/50/46/1170315046.db2.gz XXDKHBVYMPXCOC-QMMMGPOBSA-N 1 0 180.251 1.761 20 0 ADADRO C[C@H]([NH2+]C1(C)CC1)c1cn(C)cn1 1332878743 1170315141 /nfs/dbraw/zinc/31/51/41/1170315141.db2.gz MVRWBMRWQYXKHA-QMMMGPOBSA-N 1 0 179.267 1.623 20 0 ADADRO CC[C@H](C)NC(=[NH2+])NC/C=C/C1CC1 1333040137 1170315484 /nfs/dbraw/zinc/31/54/84/1170315484.db2.gz JMCUIXRRIZPMDU-MOVJSRMASA-N 1 0 195.310 1.865 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1csnn1 1333000728 1170315787 /nfs/dbraw/zinc/31/57/87/1170315787.db2.gz OTCGGFBKSQCUOV-APPZFPTMSA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@H](C)NC(=[NH2+])NC/C=C\C1CC1 1333040138 1170316007 /nfs/dbraw/zinc/31/60/07/1170316007.db2.gz JMCUIXRRIZPMDU-WBSSQXGSSA-N 1 0 195.310 1.865 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]Cc1csnn1 1333000729 1170316035 /nfs/dbraw/zinc/31/60/35/1170316035.db2.gz OTCGGFBKSQCUOV-CBAPKCEASA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@@H](C)NC(=[NH2+])NC/C=C/C1CC1 1333040139 1170316631 /nfs/dbraw/zinc/31/66/31/1170316631.db2.gz JMCUIXRRIZPMDU-XNPJLODASA-N 1 0 195.310 1.865 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]Cc1csnn1 1333000731 1170317098 /nfs/dbraw/zinc/31/70/98/1170317098.db2.gz OTCGGFBKSQCUOV-VXNVDRBHSA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]Cc1csnn1 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1.209 20 0 ADADRO CCN(Cc1nccc(C)n1)C1CC1 687716312 571690682 /nfs/dbraw/zinc/69/06/82/571690682.db2.gz TYXYWBSKXFLUGQ-UHFFFAOYSA-N 1 0 191.278 1.769 20 0 ADADRO CCC[NH+]1CCC(c2cn[nH]c2)CC1 687716255 571690776 /nfs/dbraw/zinc/69/07/76/571690776.db2.gz CRQJGLWERYJNIL-UHFFFAOYSA-N 1 0 193.294 1.999 20 0 ADADRO CC(C)CC[NH2+]C[C@@H]1COCCO1 37998216 571691124 /nfs/dbraw/zinc/69/11/24/571691124.db2.gz MEZFNDJUXDWYAP-SNVBAGLBSA-N 1 0 187.283 1.038 20 0 ADADRO CC(C)CC[NH2+]C[C@H]1COCCO1 37998217 571691391 /nfs/dbraw/zinc/69/13/91/571691391.db2.gz MEZFNDJUXDWYAP-JTQLQIEISA-N 1 0 187.283 1.038 20 0 ADADRO CN(Cc1nc[nH]n1)C1CCCCC1 687716292 571691794 /nfs/dbraw/zinc/69/17/94/571691794.db2.gz CCLLGPDVSZNKME-UHFFFAOYSA-N 1 0 194.282 1.569 20 0 ADADRO Cc1nonc1CN(C(C)C)C1CC1 687716386 571692669 /nfs/dbraw/zinc/69/26/69/571692669.db2.gz HDKDMZMBWMCRPV-UHFFFAOYSA-N 1 0 195.266 1.751 20 0 ADADRO CCCCCCN1CC[C@@H]([NH2+]C)C1 70559738 571693729 /nfs/dbraw/zinc/69/37/29/571693729.db2.gz KLRJTLFBSZSNRG-LLVKDONJSA-N 1 0 184.327 1.860 20 0 ADADRO C[NH2+]C[C@H](C)NCc1cnc(C)s1 234404073 571694193 /nfs/dbraw/zinc/69/41/93/571694193.db2.gz AFYWQTFDLUYRGX-ZETCQYMHSA-N 1 0 199.323 1.149 20 0 ADADRO CS[C@@H]1CCC[C@H]([NH2+]CCO)C1 235229945 571697584 /nfs/dbraw/zinc/69/75/84/571697584.db2.gz FNOCBXQKZIRVGB-DTWKUNHWSA-N 1 0 189.324 1.243 20 0 ADADRO C[C@@H](O)[C@@H](C)[NH2+]CC1(C2CC2)CC1 235232915 571699168 /nfs/dbraw/zinc/69/91/68/571699168.db2.gz CGOSCWUSOYXOFE-RKDXNWHRSA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@H](COC)[NH2+]C[C@@H]1CCC=CO1 70624998 571701334 /nfs/dbraw/zinc/70/13/34/571701334.db2.gz DCINGGSVUUVJGP-MNOVXSKESA-N 1 0 199.294 1.694 20 0 ADADRO CC[C@H](COC)[NH2+]C[C@H]1CCC=CO1 70625000 571701695 /nfs/dbraw/zinc/70/16/95/571701695.db2.gz DCINGGSVUUVJGP-GHMZBOCLSA-N 1 0 199.294 1.694 20 0 ADADRO CC[C@@H](COC)[NH2+]C[C@H]1CCC=CO1 70624999 571701934 /nfs/dbraw/zinc/70/19/34/571701934.db2.gz DCINGGSVUUVJGP-WDEREUQCSA-N 1 0 199.294 1.694 20 0 ADADRO CCCC[NH2+]C[C@@H]1CCCOC1 38044220 571702535 /nfs/dbraw/zinc/70/25/35/571702535.db2.gz OUNVEZMXBVARCB-JTQLQIEISA-N 1 0 171.284 1.803 20 0 ADADRO CC[C@@H](COC)[NH2+]C[C@@H]1CCC=CO1 70624997 571702723 /nfs/dbraw/zinc/70/27/23/571702723.db2.gz DCINGGSVUUVJGP-QWRGUYRKSA-N 1 0 199.294 1.694 20 0 ADADRO CCC(=O)NC[C@@H]1CCCCC[NH2+]1 214015941 571703215 /nfs/dbraw/zinc/70/32/15/571703215.db2.gz JYJIBJCMKYZSKI-VIFPVBQESA-N 1 0 184.283 1.045 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@@H]1COCCO1 38060696 571705241 /nfs/dbraw/zinc/70/52/41/571705241.db2.gz DIYPOELJWZJYIG-NXEZZACHSA-N 1 0 187.283 1.038 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@@H]1COCCO1 38060305 571705649 /nfs/dbraw/zinc/70/56/49/571705649.db2.gz RBNKAZMAUFPRIH-VHSXEESVSA-N 1 0 187.283 1.036 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@@H]1COCCO1 38060697 571707093 /nfs/dbraw/zinc/70/70/93/571707093.db2.gz DIYPOELJWZJYIG-VHSXEESVSA-N 1 0 187.283 1.038 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@H]1COCCO1 38060307 571707076 /nfs/dbraw/zinc/70/70/76/571707076.db2.gz RBNKAZMAUFPRIH-UWVGGRQHSA-N 1 0 187.283 1.036 20 0 ADADRO CC(C)[C@@H](C)[NH2+]C[C@@H]1COCCO1 38060304 571707059 /nfs/dbraw/zinc/70/70/59/571707059.db2.gz RBNKAZMAUFPRIH-NXEZZACHSA-N 1 0 187.283 1.036 20 0 ADADRO CC(C)CC[NH2+]C[C@@H](C)N(C)C 38088726 571713461 /nfs/dbraw/zinc/71/34/61/571713461.db2.gz ZGKAOYAJUCTKOB-SNVBAGLBSA-N 1 0 172.316 1.572 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]CCCCCCO 235275656 571715450 /nfs/dbraw/zinc/71/54/50/571715450.db2.gz WLXWIYLMCHVYSE-GHMZBOCLSA-N 1 0 185.311 1.785 20 0 ADADRO c1ccc2c(c1)C[C@@]21CCC[NH2+]C1 23508897 571720933 /nfs/dbraw/zinc/72/09/33/571720933.db2.gz SNTXKXAGKRGUSQ-GFCCVEGCSA-N 1 0 173.259 1.864 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]CCc2nnc[nH]2)C1 70646241 571719927 /nfs/dbraw/zinc/71/99/27/571719927.db2.gz YMCGVUVMMGLCGZ-DTWKUNHWSA-N 1 0 194.282 1.125 20 0 ADADRO c1ccc2c(c1)C[C@@]21CC[NH2+]C1 23508856 571720598 /nfs/dbraw/zinc/72/05/98/571720598.db2.gz OHLUCRDUTNQEFD-LLVKDONJSA-N 1 0 159.232 1.474 20 0 ADADRO C1=CO[C@H](C[NH2+]Cc2ncc[nH]2)CC1 70646274 571720874 /nfs/dbraw/zinc/72/08/74/571720874.db2.gz IGHOSUJSVHRITE-VIFPVBQESA-N 1 0 193.250 1.192 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]CCc2nnc[nH]2)C1 70646238 571721072 /nfs/dbraw/zinc/72/10/72/571721072.db2.gz YMCGVUVMMGLCGZ-BDAKNGLRSA-N 1 0 194.282 1.125 20 0 ADADRO C1=CO[C@@H](C[NH2+]Cc2ncc[nH]2)CC1 70646275 571721388 /nfs/dbraw/zinc/72/13/88/571721388.db2.gz IGHOSUJSVHRITE-SECBINFHSA-N 1 0 193.250 1.192 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]CCc2nnc[nH]2)C1 70646239 571721686 /nfs/dbraw/zinc/72/16/86/571721686.db2.gz YMCGVUVMMGLCGZ-IUCAKERBSA-N 1 0 194.282 1.125 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]CCc2nnc[nH]2)C1 70646240 571722183 /nfs/dbraw/zinc/72/21/83/571722183.db2.gz YMCGVUVMMGLCGZ-RKDXNWHRSA-N 1 0 194.282 1.125 20 0 ADADRO Nc1cccc2c(C[NH3+])csc12 214190722 571724691 /nfs/dbraw/zinc/72/46/91/571724691.db2.gz PJXGRQUJLAUNKP-UHFFFAOYSA-N 1 0 178.260 1.942 20 0 ADADRO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)CO)C1 70651991 571725394 /nfs/dbraw/zinc/72/53/94/571725394.db2.gz UYYVAGBNIZFZIH-DCAQKATOSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)CO)C1 70651993 571725449 /nfs/dbraw/zinc/72/54/49/571725449.db2.gz UYYVAGBNIZFZIH-GARJFASQSA-N 1 0 185.311 1.926 20 0 ADADRO O=C(NC[C@H]1CCCCC[NH2+]1)C1CC1 214166693 571728715 /nfs/dbraw/zinc/72/87/15/571728715.db2.gz VSLABBNZPSVNLD-SNVBAGLBSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(NC[C@@H]1CCCCC[NH2+]1)C1CC1 214166753 571729271 /nfs/dbraw/zinc/72/92/71/571729271.db2.gz VSLABBNZPSVNLD-JTQLQIEISA-N 1 0 196.294 1.045 20 0 ADADRO C[C@H]1CCC[C@@H]1NC(=O)C[C@@H](C)[NH3+] 70834524 571729646 /nfs/dbraw/zinc/72/96/46/571729646.db2.gz SVCWSOGWNOEDRW-YIZRAAEISA-N 1 0 184.283 1.029 20 0 ADADRO C[C@H]1CCC[C@H]1NC(=O)C[C@@H](C)[NH3+] 70834527 571730058 /nfs/dbraw/zinc/73/00/58/571730058.db2.gz SVCWSOGWNOEDRW-DJLDLDEBSA-N 1 0 184.283 1.029 20 0 ADADRO O[C@H](C[NH2+]C[C@@H]1CCC=CO1)C1CC1 70882434 571735026 /nfs/dbraw/zinc/73/50/26/571735026.db2.gz ZUEIWRUKCQTMHK-WDEREUQCSA-N 1 0 197.278 1.040 20 0 ADADRO FCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 24660904 571734640 /nfs/dbraw/zinc/73/46/40/571734640.db2.gz MSCLTHYUEDSBFA-IUCAKERBSA-N 1 0 157.232 1.830 20 0 ADADRO C[C@](CO)([NH2+]C1CCCC1)C1CC1 38122751 571734810 /nfs/dbraw/zinc/73/48/10/571734810.db2.gz MFNHXVRIRYUZGW-LLVKDONJSA-N 1 0 183.295 1.680 20 0 ADADRO O[C@H](C[NH2+]C[C@H]1CCC=CO1)C1CC1 70882428 571734870 /nfs/dbraw/zinc/73/48/70/571734870.db2.gz ZUEIWRUKCQTMHK-GHMZBOCLSA-N 1 0 197.278 1.040 20 0 ADADRO C[C@@](CO)([NH2+]C1CCCC1)C1CC1 38122752 571734922 /nfs/dbraw/zinc/73/49/22/571734922.db2.gz MFNHXVRIRYUZGW-NSHDSACASA-N 1 0 183.295 1.680 20 0 ADADRO O[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C1CC1 70882421 571735386 /nfs/dbraw/zinc/73/53/86/571735386.db2.gz ZUEIWRUKCQTMHK-QWRGUYRKSA-N 1 0 197.278 1.040 20 0 ADADRO CC(C)CC[NH2+]C[C@@H](O)C1CC1 70880263 571735431 /nfs/dbraw/zinc/73/54/31/571735431.db2.gz JTHLFEPPDHHZRC-SNVBAGLBSA-N 1 0 171.284 1.393 20 0 ADADRO CC(C)CC[NH2+]C[C@H](O)C1CC1 70880260 571736171 /nfs/dbraw/zinc/73/61/71/571736171.db2.gz JTHLFEPPDHHZRC-JTQLQIEISA-N 1 0 171.284 1.393 20 0 ADADRO C[C@@H](CN)[NH2+]C[C@H]1CCC[C@@H](C)C1 235297659 571736842 /nfs/dbraw/zinc/73/68/42/571736842.db2.gz XWCRLMXDYBDKDM-VWYCJHECSA-N 1 0 184.327 1.750 20 0 ADADRO C[C@@H]1C[C@@H]1C(=O)NCCCCCC[NH3+] 235297188 571736957 /nfs/dbraw/zinc/73/69/57/571736957.db2.gz GTNLKZMFDIECHT-ZJUUUORDSA-N 1 0 198.310 1.278 20 0 ADADRO CCN(CCC(C)C)[C@H]1CC[NH2+]C1 70898002 571738265 /nfs/dbraw/zinc/73/82/65/571738265.db2.gz KBGVGWREGHXNGB-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO O[C@@H](C[NH2+]C[C@H]1CCC=CO1)C1CC1 70882420 571737470 /nfs/dbraw/zinc/73/74/70/571737470.db2.gz ZUEIWRUKCQTMHK-MNOVXSKESA-N 1 0 197.278 1.040 20 0 ADADRO CCCC[NH2+]C[C@H](O)C1CC1 70881007 571737476 /nfs/dbraw/zinc/73/74/76/571737476.db2.gz RGRDOHDWKBLZPO-VIFPVBQESA-N 1 0 157.257 1.147 20 0 ADADRO CC(C)C(=O)NC[C@@H]1CCCCC[NH2+]1 214245678 571737860 /nfs/dbraw/zinc/73/78/60/571737860.db2.gz YWJOTMQSESNUSW-JTQLQIEISA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)(O)C[C@@H]1CCC[NH2+]C1 134194260 571738021 /nfs/dbraw/zinc/73/80/21/571738021.db2.gz FIKMUGRMUDJWAJ-QMMMGPOBSA-N 1 0 157.257 1.147 20 0 ADADRO Cc1cccnc1C[NH2+]CC(C)(C)O 70908652 571738843 /nfs/dbraw/zinc/73/88/43/571738843.db2.gz HOYWSLRFPLROCG-UHFFFAOYSA-N 1 0 194.278 1.251 20 0 ADADRO CC[C@@H](C)CN(CC)[C@@H]1CC[NH2+]C1 70898155 571738850 /nfs/dbraw/zinc/73/88/50/571738850.db2.gz KAPDXQVDIHORPE-GHMZBOCLSA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@H](C)CN(CC)[C@@H]1CC[NH2+]C1 70898162 571738930 /nfs/dbraw/zinc/73/89/30/571738930.db2.gz KAPDXQVDIHORPE-WDEREUQCSA-N 1 0 184.327 1.716 20 0 ADADRO Cc1cccnc1C[NH2+]CCCCO 70908533 571739269 /nfs/dbraw/zinc/73/92/69/571739269.db2.gz PRKARRMUAQWQNU-UHFFFAOYSA-N 1 0 194.278 1.252 20 0 ADADRO CC(C)C(=O)NC[C@H]1CCCCC[NH2+]1 214245741 571739376 /nfs/dbraw/zinc/73/93/76/571739376.db2.gz YWJOTMQSESNUSW-SNVBAGLBSA-N 1 0 198.310 1.291 20 0 ADADRO COCCC[NH2+]Cc1ncccc1C 70908750 571739428 /nfs/dbraw/zinc/73/94/28/571739428.db2.gz SLEUOMDEJOTSKO-UHFFFAOYSA-N 1 0 194.278 1.516 20 0 ADADRO CCN(C/C=C/Cl)[C@@H]1CC[NH2+]C1 70899655 571739813 /nfs/dbraw/zinc/73/98/13/571739813.db2.gz FFSJHYRYDLBSCO-HYYFJVDXSA-N 1 0 188.702 1.423 20 0 ADADRO CC(C)(O)C[C@H]1CCC[NH2+]C1 134194471 571740463 /nfs/dbraw/zinc/74/04/63/571740463.db2.gz FIKMUGRMUDJWAJ-MRVPVSSYSA-N 1 0 157.257 1.147 20 0 ADADRO CCN(C/C=C/Cl)[C@H]1CC[NH2+]C1 70899660 571740572 /nfs/dbraw/zinc/74/05/72/571740572.db2.gz FFSJHYRYDLBSCO-SGRBOOSSSA-N 1 0 188.702 1.423 20 0 ADADRO CCCCCN(CC)[C@H]1CC[NH2+]C1 70898373 571740919 /nfs/dbraw/zinc/74/09/19/571740919.db2.gz RHHHDCMWGDLXCD-NSHDSACASA-N 1 0 184.327 1.860 20 0 ADADRO CCOCC[NH2+]Cc1ncccc1C 70917590 571741447 /nfs/dbraw/zinc/74/14/47/571741447.db2.gz WQNXRMSOFPXIOX-UHFFFAOYSA-N 1 0 194.278 1.516 20 0 ADADRO CCN(CC1CCCC1)[C@H]1CC[NH2+]C1 70917449 571741582 /nfs/dbraw/zinc/74/15/82/571741582.db2.gz QAEXRKIDBBIKAG-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO CC[C@](C)(CO)[NH2+]CCC(C)C 70710468 571741653 /nfs/dbraw/zinc/74/16/53/571741653.db2.gz QYMRWMMXULLWKF-SNVBAGLBSA-N 1 0 173.300 1.783 20 0 ADADRO CCCC[NH2+][C@](C)(CC)CO 70710321 571741690 /nfs/dbraw/zinc/74/16/90/571741690.db2.gz SLOQKMBXRCOGCE-SECBINFHSA-N 1 0 159.273 1.537 20 0 ADADRO CCN(CC1CCCC1)[C@@H]1CC[NH2+]C1 70917446 571742047 /nfs/dbraw/zinc/74/20/47/571742047.db2.gz QAEXRKIDBBIKAG-GFCCVEGCSA-N 1 0 196.338 1.860 20 0 ADADRO Cl/C=C\C[N@@H+]1CCc2c[nH]nc2C1 379355200 571742263 /nfs/dbraw/zinc/74/22/63/571742263.db2.gz KSTBCOJMMWNKGA-IWQZZHSRSA-N 1 0 197.669 1.520 20 0 ADADRO CCCC[NH2+][C@@](C)(CC)CO 70710320 571742471 /nfs/dbraw/zinc/74/24/71/571742471.db2.gz SLOQKMBXRCOGCE-VIFPVBQESA-N 1 0 159.273 1.537 20 0 ADADRO CC[C@@](C)(CO)[NH2+]CCC(C)C 70710467 571742569 /nfs/dbraw/zinc/74/25/69/571742569.db2.gz QYMRWMMXULLWKF-JTQLQIEISA-N 1 0 173.300 1.783 20 0 ADADRO C[C@H]([NH3+])CN(C)CCC(F)(F)F 70916621 571743050 /nfs/dbraw/zinc/74/30/50/571743050.db2.gz GWBCGBGVIJIIFK-LURJTMIESA-N 1 0 184.205 1.218 20 0 ADADRO CN(CCC[NH3+])CCC(F)(F)F 70911799 571743135 /nfs/dbraw/zinc/74/31/35/571743135.db2.gz AVSJDQJRQVDOGM-UHFFFAOYSA-N 1 0 184.205 1.219 20 0 ADADRO FC(F)(F)CCO[C@@H]1CC[NH2+]C1 70914347 571743141 /nfs/dbraw/zinc/74/31/41/571743141.db2.gz ZQNUGIYEZJGZNM-ZCFIWIBFSA-N 1 0 183.173 1.317 20 0 ADADRO C[C@@H]([NH3+])CN(C)CCC(F)(F)F 70916622 571743227 /nfs/dbraw/zinc/74/32/27/571743227.db2.gz GWBCGBGVIJIIFK-ZCFIWIBFSA-N 1 0 184.205 1.218 20 0 ADADRO CCn1cc(C[NH2+]C(C)C)c(C)n1 70708654 571743334 /nfs/dbraw/zinc/74/33/34/571743334.db2.gz ZJDKEXORDXTPHP-UHFFFAOYSA-N 1 0 181.283 1.709 20 0 ADADRO FC(F)(F)CCO[C@H]1CC[NH2+]C1 70914351 571743582 /nfs/dbraw/zinc/74/35/82/571743582.db2.gz ZQNUGIYEZJGZNM-LURJTMIESA-N 1 0 183.173 1.317 20 0 ADADRO CCc1ccc([C@H]([NH3+])[C@H](C)O)cc1 37224259 571744598 /nfs/dbraw/zinc/74/45/98/571744598.db2.gz FLLQNJUBTZDIBV-GZMMTYOYSA-N 1 0 179.263 1.630 20 0 ADADRO CCc1ccc([C@@H]([NH3+])[C@@H](C)O)cc1 37224258 571746131 /nfs/dbraw/zinc/74/61/31/571746131.db2.gz FLLQNJUBTZDIBV-KCJUWKMLSA-N 1 0 179.263 1.630 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]CCCCCCO 235303866 571752760 /nfs/dbraw/zinc/75/27/60/571752760.db2.gz WLXWIYLMCHVYSE-MNOVXSKESA-N 1 0 185.311 1.785 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@@H](O)c1ccco1 70797267 571755403 /nfs/dbraw/zinc/75/54/03/571755403.db2.gz MYPCSBPOUDUGGT-NXEZZACHSA-N 1 0 197.278 1.949 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@H](O)c1ccco1 70797264 571756301 /nfs/dbraw/zinc/75/63/01/571756301.db2.gz MYPCSBPOUDUGGT-UWVGGRQHSA-N 1 0 197.278 1.949 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@H](O)c1ccco1 70797262 571757153 /nfs/dbraw/zinc/75/71/53/571757153.db2.gz MYPCSBPOUDUGGT-ZJUUUORDSA-N 1 0 197.278 1.949 20 0 ADADRO C[C@@H]1CC[NH+]=C2N[C@H]3CCCC[C@@H]3N21 235306576 571757421 /nfs/dbraw/zinc/75/74/21/571757421.db2.gz JJYWJOWJHAEPCY-UTLUCORTSA-N 1 0 193.294 1.351 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@@H](O)c1ccco1 70797269 571757458 /nfs/dbraw/zinc/75/74/58/571757458.db2.gz MYPCSBPOUDUGGT-VHSXEESVSA-N 1 0 197.278 1.949 20 0 ADADRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCOC1 250456687 571757981 /nfs/dbraw/zinc/75/79/81/571757981.db2.gz ISPJYHNSVOXFKQ-GMTAPVOTSA-N 1 0 199.294 1.180 20 0 ADADRO C[C@@H]1C[C@H]1C(=O)NCCCCCC[NH3+] 235317926 571762789 /nfs/dbraw/zinc/76/27/89/571762789.db2.gz GTNLKZMFDIECHT-NXEZZACHSA-N 1 0 198.310 1.278 20 0 ADADRO CC(C)Cc1noc([C@@H](C)[C@H](C)[NH3+])n1 71000164 571766776 /nfs/dbraw/zinc/76/67/76/571766776.db2.gz MSSHCZGHZSZJLJ-YUMQZZPRSA-N 1 0 197.282 1.719 20 0 ADADRO [NH3+][C@@H](Cc1nc(C2CC2)no1)C1CC1 71001067 571766255 /nfs/dbraw/zinc/76/62/55/571766255.db2.gz VYWFCSQXQZXGCQ-QMMMGPOBSA-N 1 0 193.250 1.227 20 0 ADADRO CC(C)Cc1noc([C@H](C)[C@@H](C)[NH3+])n1 71000163 571764794 /nfs/dbraw/zinc/76/47/94/571764794.db2.gz MSSHCZGHZSZJLJ-HTQZYQBOSA-N 1 0 197.282 1.719 20 0 ADADRO COC(C)(C)C[N@H+](C)CCF 17666327 571764840 /nfs/dbraw/zinc/76/48/40/571764840.db2.gz VDGRNASIKYZVQC-UHFFFAOYSA-N 1 0 163.236 1.313 20 0 ADADRO COC(C)(C)CC[NH2+]C(C)C 17619250 571765116 /nfs/dbraw/zinc/76/51/16/571765116.db2.gz VDDROURRHHPGMO-UHFFFAOYSA-N 1 0 159.273 1.800 20 0 ADADRO CC(C)Cc1noc([C@@H](C)[C@@H](C)[NH3+])n1 71000162 571765135 /nfs/dbraw/zinc/76/51/35/571765135.db2.gz MSSHCZGHZSZJLJ-JGVFFNPUSA-N 1 0 197.282 1.719 20 0 ADADRO [NH3+][C@H](Cc1nc(C2CC2)no1)C1CC1 71001068 571765263 /nfs/dbraw/zinc/76/52/63/571765263.db2.gz VYWFCSQXQZXGCQ-MRVPVSSYSA-N 1 0 193.250 1.227 20 0 ADADRO CC[C@@H](CO)[NH2+]C/C=C/Cl 233877024 571765795 /nfs/dbraw/zinc/76/57/95/571765795.db2.gz CLCNMOCGIUACTQ-SDLBARTOSA-N 1 0 163.648 1.099 20 0 ADADRO CC(C)Cc1noc([C@H](C)[C@H](C)[NH3+])n1 71000165 571765806 /nfs/dbraw/zinc/76/58/06/571765806.db2.gz MSSHCZGHZSZJLJ-SFYZADRCSA-N 1 0 197.282 1.719 20 0 ADADRO Cc1cc(-c2ccc(C[NH3+])cn2)ccn1 117502913 571766437 /nfs/dbraw/zinc/76/64/37/571766437.db2.gz NBYYHTMJKHFZCI-UHFFFAOYSA-N 1 0 199.257 1.911 20 0 ADADRO CC(C)c1noc(C[C@H]([NH3+])C2CC2)n1 71000871 571766566 /nfs/dbraw/zinc/76/65/66/571766566.db2.gz FDIIQSXXWBZGRB-QMMMGPOBSA-N 1 0 195.266 1.473 20 0 ADADRO C[C@@H]1CCn2cc[nH+]c2N1 18558603 571766651 /nfs/dbraw/zinc/76/66/51/571766651.db2.gz IATRIIMKSVABOZ-ZCFIWIBFSA-N 1 0 137.186 1.087 20 0 ADADRO CC(C)c1noc(C[C@@H]([NH3+])C2CC2)n1 71000874 571766694 /nfs/dbraw/zinc/76/66/94/571766694.db2.gz FDIIQSXXWBZGRB-MRVPVSSYSA-N 1 0 195.266 1.473 20 0 ADADRO C[C@@H]1CC[C@@H]2[NH2+]CC[C@@H]2C1 18504623 571767585 /nfs/dbraw/zinc/76/75/85/571767585.db2.gz SBLGZDPPNSRSAU-HLTSFMKQSA-N 1 0 139.242 1.785 20 0 ADADRO C[C@H]1CCn2cc[nH+]c2N1 18558604 571767674 /nfs/dbraw/zinc/76/76/74/571767674.db2.gz IATRIIMKSVABOZ-LURJTMIESA-N 1 0 137.186 1.087 20 0 ADADRO CC[C@@H](C)[C@@H](CN1CCCC1)[NH2+]C 87527386 571767960 /nfs/dbraw/zinc/76/79/60/571767960.db2.gz DJYMMRYABHLOHP-GHMZBOCLSA-N 1 0 184.327 1.716 20 0 ADADRO C[C@@H]1CC[C@H]2[NH2+]CC[C@@H]2C1 18504627 571768700 /nfs/dbraw/zinc/76/87/00/571768700.db2.gz SBLGZDPPNSRSAU-IWSPIJDZSA-N 1 0 139.242 1.785 20 0 ADADRO CC[N@H+](CCCO)C(C)(C)C 18682613 571771055 /nfs/dbraw/zinc/77/10/55/571771055.db2.gz HHPWEQMWYMHGLZ-UHFFFAOYSA-N 1 0 159.273 1.489 20 0 ADADRO CCCCCC[NH2+][C@@H]1CCOC1 70964793 571772145 /nfs/dbraw/zinc/77/21/45/571772145.db2.gz UEKSFGCRRNYSLQ-SNVBAGLBSA-N 1 0 171.284 1.945 20 0 ADADRO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCOC1 70966271 571773855 /nfs/dbraw/zinc/77/38/55/571773855.db2.gz IZPIHYAOQRFFNE-VHSXEESVSA-N 1 0 195.262 1.589 20 0 ADADRO c1cc(CC[NH2+][C@H]2CCOC2)ccn1 70967522 571773950 /nfs/dbraw/zinc/77/39/50/571773950.db2.gz BJOKIBLYYRMNGM-NSHDSACASA-N 1 0 192.262 1.003 20 0 ADADRO C[C@H](Cc1ccco1)[NH2+][C@H]1CCOC1 70966282 571773958 /nfs/dbraw/zinc/77/39/58/571773958.db2.gz IZPIHYAOQRFFNE-ZJUUUORDSA-N 1 0 195.262 1.589 20 0 ADADRO c1cc(CC[NH2+][C@@H]2CCOC2)ccn1 70967520 571774090 /nfs/dbraw/zinc/77/40/90/571774090.db2.gz BJOKIBLYYRMNGM-LLVKDONJSA-N 1 0 192.262 1.003 20 0 ADADRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCOC1 70966275 571774694 /nfs/dbraw/zinc/77/46/94/571774694.db2.gz IZPIHYAOQRFFNE-NXEZZACHSA-N 1 0 195.262 1.589 20 0 ADADRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCOC1 70966279 571774740 /nfs/dbraw/zinc/77/47/40/571774740.db2.gz IZPIHYAOQRFFNE-UWVGGRQHSA-N 1 0 195.262 1.589 20 0 ADADRO OCC[NH+]1CCCCCCCC1 1562264 571775435 /nfs/dbraw/zinc/77/54/35/571775435.db2.gz MYPHYARMSBYURJ-UHFFFAOYSA-N 1 0 171.284 1.635 20 0 ADADRO C[C@@]1(CO)CCC[N@H+](CCC2CC2)C1 687721636 571775437 /nfs/dbraw/zinc/77/54/37/571775437.db2.gz OPHXVZSTGUQSKX-GFCCVEGCSA-N 1 0 197.322 1.881 20 0 ADADRO CC(C)C[C@H](C)C[N@H+](C)C[C@@H](C)N 301007456 571776028 /nfs/dbraw/zinc/77/60/28/571776028.db2.gz YDBXONMPBKZBRV-WDEREUQCSA-N 1 0 186.343 1.948 20 0 ADADRO C[C@]1(CO)CCC[N@H+](CCC2CC2)C1 687721637 571777125 /nfs/dbraw/zinc/77/71/25/571777125.db2.gz OPHXVZSTGUQSKX-LBPRGKRZSA-N 1 0 197.322 1.881 20 0 ADADRO CO[C@H](C[NH2+][C@H]1COC[C@@H]1C)C1CC1 710844445 571777296 /nfs/dbraw/zinc/77/72/96/571777296.db2.gz JVBHPLFAYJUKPR-INTQDDNPSA-N 1 0 199.294 1.036 20 0 ADADRO CC(C)C[C@@H](C)C[N@H+](C)C[C@H](C)N 301007452 571777582 /nfs/dbraw/zinc/77/75/82/571777582.db2.gz YDBXONMPBKZBRV-MNOVXSKESA-N 1 0 186.343 1.948 20 0 ADADRO CC[C@@H](COC)[NH2+]C/C=C/Cl 233880468 571777601 /nfs/dbraw/zinc/77/76/01/571777601.db2.gz ONTBYXOUNDZZFH-ZJELKQJVSA-N 1 0 177.675 1.754 20 0 ADADRO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H](C)N 301007449 571777655 /nfs/dbraw/zinc/77/76/55/571777655.db2.gz YDBXONMPBKZBRV-GHMZBOCLSA-N 1 0 186.343 1.948 20 0 ADADRO CC(C)C[C@H](C)C[N@H+](C)C[C@H](C)N 301007454 571777960 /nfs/dbraw/zinc/77/79/60/571777960.db2.gz YDBXONMPBKZBRV-QWRGUYRKSA-N 1 0 186.343 1.948 20 0 ADADRO CO[C@H](C[NH2+][C@H]1COC[C@H]1C)C1CC1 710844428 571778028 /nfs/dbraw/zinc/77/80/28/571778028.db2.gz JVBHPLFAYJUKPR-DVVUODLYSA-N 1 0 199.294 1.036 20 0 ADADRO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 710847068 571778335 /nfs/dbraw/zinc/77/83/35/571778335.db2.gz UGUFANOFWITWLN-VWYCJHECSA-N 1 0 197.278 1.304 20 0 ADADRO CO[C@H](C[NH2+][C@@H]1COC[C@@H]1C)C1CC1 710844447 571778854 /nfs/dbraw/zinc/77/88/54/571778854.db2.gz JVBHPLFAYJUKPR-JMJZKYOTSA-N 1 0 199.294 1.036 20 0 ADADRO CO[C@H](C[NH2+][C@@H]1COC[C@H]1C)C1CC1 710844436 571779367 /nfs/dbraw/zinc/77/93/67/571779367.db2.gz JVBHPLFAYJUKPR-FBIMIBRVSA-N 1 0 199.294 1.036 20 0 ADADRO C[C@H]([NH3+])CC(=O)N1CCCCCCC1 37476046 571781017 /nfs/dbraw/zinc/78/10/17/571781017.db2.gz XNCCKXKKDITOOE-JTQLQIEISA-N 1 0 198.310 1.516 20 0 ADADRO CC(C)c1noc(C[C@H](C)[NH3+])n1 37452688 571781342 /nfs/dbraw/zinc/78/13/42/571781342.db2.gz UCZFPGZBINAGOW-LURJTMIESA-N 1 0 169.228 1.083 20 0 ADADRO CCCC[C@@H](C)C(=O)N[C@@H](C)C[NH3+] 301010958 571782226 /nfs/dbraw/zinc/78/22/26/571782226.db2.gz ZYRYYDWFERVVJZ-BDAKNGLRSA-N 1 0 186.299 1.276 20 0 ADADRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1 37489925 571782596 /nfs/dbraw/zinc/78/25/96/571782596.db2.gz HKQBKXWBFDVUDH-GHMZBOCLSA-N 1 0 192.262 1.085 20 0 ADADRO O[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1 37489929 571782621 /nfs/dbraw/zinc/78/26/21/571782621.db2.gz NNQWLCQDQMBKDL-GHMZBOCLSA-N 1 0 192.262 1.085 20 0 ADADRO CCCC[C@H](C)C(=O)N[C@@H](C)C[NH3+] 301010960 571782723 /nfs/dbraw/zinc/78/27/23/571782723.db2.gz ZYRYYDWFERVVJZ-IUCAKERBSA-N 1 0 186.299 1.276 20 0 ADADRO CCCC[NH2+][C@H]1CCC[C@@H]1O 37489916 571782876 /nfs/dbraw/zinc/78/28/76/571782876.db2.gz VYAQXURLABCEGB-IUCAKERBSA-N 1 0 157.257 1.290 20 0 ADADRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccccn1 37489921 571782903 /nfs/dbraw/zinc/78/29/03/571782903.db2.gz DKVVRQIPOTVYBU-GHMZBOCLSA-N 1 0 192.262 1.085 20 0 ADADRO CCC[NH2+]Cc1cnc(C)s1 37505230 571782933 /nfs/dbraw/zinc/78/29/33/571782933.db2.gz IJYWHPOZTYSIFC-UHFFFAOYSA-N 1 0 170.281 1.951 20 0 ADADRO CCCC[NH2+][C@@H]1CCC[C@H]1O 37489917 571783240 /nfs/dbraw/zinc/78/32/40/571783240.db2.gz VYAQXURLABCEGB-RKDXNWHRSA-N 1 0 157.257 1.290 20 0 ADADRO O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 37490608 571783290 /nfs/dbraw/zinc/78/32/90/571783290.db2.gz KXXWVUBYXIPTNO-DCAQKATOSA-N 1 0 199.294 1.059 20 0 ADADRO CCCCCCNC1=[NH+]C[C@H](C)N1 143207310 571785803 /nfs/dbraw/zinc/78/58/03/571785803.db2.gz JIOGNVDNNNUECE-VIFPVBQESA-N 1 0 183.299 1.504 20 0 ADADRO CCCCCCNC1=[NH+]C[C@@H](C)N1 143207507 571787808 /nfs/dbraw/zinc/78/78/08/571787808.db2.gz JIOGNVDNNNUECE-SECBINFHSA-N 1 0 183.299 1.504 20 0 ADADRO CC[C@@H](O)C[NH2+]C/C=C/Cl 233899773 571787907 /nfs/dbraw/zinc/78/79/07/571787907.db2.gz BXNUABGWHREGTE-KGGZQZJCSA-N 1 0 163.648 1.099 20 0 ADADRO CCCC[C@H](C)C[NH3+] 2034125 571788814 /nfs/dbraw/zinc/78/88/14/571788814.db2.gz BNOMVHZDJIXZAA-ZETCQYMHSA-N 1 0 115.220 1.771 20 0 ADADRO C[NH2+]C[C@@H](C)NCc1cnc(C)s1 234364207 571791074 /nfs/dbraw/zinc/79/10/74/571791074.db2.gz AFYWQTFDLUYRGX-SSDOTTSWSA-N 1 0 199.323 1.149 20 0 ADADRO C[C@H]1CC[N@H+](CCN2CCCC2)C1 687801105 571791392 /nfs/dbraw/zinc/79/13/92/571791392.db2.gz OYPFSCINKGZQBQ-NSHDSACASA-N 1 0 182.311 1.424 20 0 ADADRO C[NH2+]CCN(C)Cc1ccnc(C)c1 234364998 571792364 /nfs/dbraw/zinc/79/23/64/571792364.db2.gz WHLJECAEUUJVNZ-UHFFFAOYSA-N 1 0 193.294 1.041 20 0 ADADRO C[C@@H]1CC[N@H+](CCN2CCCC2)C1 687801104 571792934 /nfs/dbraw/zinc/79/29/34/571792934.db2.gz OYPFSCINKGZQBQ-LLVKDONJSA-N 1 0 182.311 1.424 20 0 ADADRO Cl/C=C\CN1CC[C@@H]2C[NH2+]C[C@@H]21 385265266 571793878 /nfs/dbraw/zinc/79/38/78/571793878.db2.gz WBTMBQXKHSMZTJ-LGSOUNPISA-N 1 0 186.686 1.033 20 0 ADADRO CCCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] 39240218 571794176 /nfs/dbraw/zinc/79/41/76/571794176.db2.gz DXXIXJKGLLRSCV-ZJUUUORDSA-N 1 0 198.310 1.420 20 0 ADADRO CCC[N@H+](CC)[C@H](C)[C@H](C)O 249973784 571795897 /nfs/dbraw/zinc/79/58/97/571795897.db2.gz LCRFFALXLHYJSL-BDAKNGLRSA-N 1 0 159.273 1.488 20 0 ADADRO CCC[N@H+](CC)[C@@H](C)[C@H](C)O 249973788 571796199 /nfs/dbraw/zinc/79/61/99/571796199.db2.gz LCRFFALXLHYJSL-IUCAKERBSA-N 1 0 159.273 1.488 20 0 ADADRO NCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 37712937 571796624 /nfs/dbraw/zinc/79/66/24/571796624.db2.gz ZLGGXSSNZKSTSJ-SDDRHHMPSA-N 1 0 196.338 1.894 20 0 ADADRO C[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 37694175 571796893 /nfs/dbraw/zinc/79/68/93/571796893.db2.gz XBZUVFCLTJFELP-SDDRHHMPSA-N 1 0 197.322 1.879 20 0 ADADRO Cc1cc(C[NH3+])ccc1C1COC1 96028790 571798028 /nfs/dbraw/zinc/79/80/28/571798028.db2.gz DPBQWOAVRANNEC-UHFFFAOYSA-N 1 0 177.247 1.568 20 0 ADADRO CC(C)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]21 687801715 571798757 /nfs/dbraw/zinc/79/87/57/571798757.db2.gz NZSMXUNATIEYFB-IJLUTSLNSA-N 1 0 197.322 1.878 20 0 ADADRO CC(C)CCC[NH2+]C[C@H]1CCN1C 712555888 571798829 /nfs/dbraw/zinc/79/88/29/571798829.db2.gz IKEJWLCWNOODLR-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO c1ccc2c(c1)C[C@]21CCC[NH2+]C1 2391699 571799419 /nfs/dbraw/zinc/79/94/19/571799419.db2.gz SNTXKXAGKRGUSQ-LBPRGKRZSA-N 1 0 173.259 1.864 20 0 ADADRO CC(C)CC[N@H+](C)[C@H](C)[C@H](C)O 250595624 571800973 /nfs/dbraw/zinc/80/09/73/571800973.db2.gz NNNQCIPDGVODPI-ZJUUUORDSA-N 1 0 173.300 1.734 20 0 ADADRO CCOc1ccccc1CNC(N)=[NH2+] 73640669 571801548 /nfs/dbraw/zinc/80/15/48/571801548.db2.gz JCSLKZFERZNFFG-UHFFFAOYSA-N 1 0 193.250 1.068 20 0 ADADRO CC(C)CCC[NH2+]C[C@@H]1CCN1C 712556229 571801554 /nfs/dbraw/zinc/80/15/54/571801554.db2.gz IKEJWLCWNOODLR-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CC(C)CC[N@H+](C)[C@@H](C)[C@H](C)O 250595623 571801646 /nfs/dbraw/zinc/80/16/46/571801646.db2.gz NNNQCIPDGVODPI-UWVGGRQHSA-N 1 0 173.300 1.734 20 0 ADADRO CC(C)c1nn(C)c2c1CC[NH2+]C2 107227080 571803733 /nfs/dbraw/zinc/80/37/33/571803733.db2.gz MBPZCCBQYJLXLS-UHFFFAOYSA-N 1 0 179.267 1.189 20 0 ADADRO CCCC[NH2+]CCCCCCO 39291258 571805703 /nfs/dbraw/zinc/80/57/03/571805703.db2.gz FSFPOKQVEQIEOG-UHFFFAOYSA-N 1 0 173.300 1.929 20 0 ADADRO CC(C)[C@@H](C)[NH2+]C[C@H](O)c1ccco1 37862856 571805811 /nfs/dbraw/zinc/80/58/11/571805811.db2.gz TTXBVLXSSXIQQI-ZJUUUORDSA-N 1 0 197.278 1.947 20 0 ADADRO O=C(CC[NH+]1CCCC1)N1CCCC1 74693586 571810585 /nfs/dbraw/zinc/81/05/85/571810585.db2.gz WYTVZVLGFFTLIJ-UHFFFAOYSA-N 1 0 196.294 1.095 20 0 ADADRO C[C@H]1CCC[C@@]2(C1)[NH2+]CCO2 3619511 571810839 /nfs/dbraw/zinc/81/08/39/571810839.db2.gz GENLKOAQZDDLCZ-DTWKUNHWSA-N 1 0 155.241 1.513 20 0 ADADRO COC(C)(C)CC[NH2+]Cc1cnc[nH]1 234597452 571811391 /nfs/dbraw/zinc/81/13/91/571811391.db2.gz FXMAIBQRATVXLX-UHFFFAOYSA-N 1 0 197.282 1.314 20 0 ADADRO Cc1cc(C[NH2+][C@@H]2C=CCC2)nn1C 710909321 571812214 /nfs/dbraw/zinc/81/22/14/571812214.db2.gz XKQPKWRCJQDVJA-SNVBAGLBSA-N 1 0 191.278 1.537 20 0 ADADRO C[C@@H]1CCC[C@@]2(C1)[NH2+]CCO2 3619513 571812364 /nfs/dbraw/zinc/81/23/64/571812364.db2.gz GENLKOAQZDDLCZ-RKDXNWHRSA-N 1 0 155.241 1.513 20 0 ADADRO CC(C)CCNC(=O)C[NH+]1CCCC1 74693498 571812468 /nfs/dbraw/zinc/81/24/68/571812468.db2.gz ZXUUCTUYUZCDPW-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@H]1CCC[C@]2(C1)[NH2+]CCO2 3619514 571813001 /nfs/dbraw/zinc/81/30/01/571813001.db2.gz GENLKOAQZDDLCZ-IUCAKERBSA-N 1 0 155.241 1.513 20 0 ADADRO C[C@@H]1CCC[C@]2(C1)[NH2+]CCO2 3619517 571813228 /nfs/dbraw/zinc/81/32/28/571813228.db2.gz GENLKOAQZDDLCZ-BDAKNGLRSA-N 1 0 155.241 1.513 20 0 ADADRO COC(C)(C)CC[NH2+]Cc1cc[nH]n1 234597566 571813436 /nfs/dbraw/zinc/81/34/36/571813436.db2.gz YOTDKZNSYMCEQO-UHFFFAOYSA-N 1 0 197.282 1.314 20 0 ADADRO COC(C)(C)CC[NH2+]Cc1ncc[nH]1 234598278 571814086 /nfs/dbraw/zinc/81/40/86/571814086.db2.gz LFRBMXYBCHGIDQ-UHFFFAOYSA-N 1 0 197.282 1.314 20 0 ADADRO Cc1cc(C[NH2+][C@H]2C=CCC2)nn1C 710909319 571814215 /nfs/dbraw/zinc/81/42/15/571814215.db2.gz XKQPKWRCJQDVJA-JTQLQIEISA-N 1 0 191.278 1.537 20 0 ADADRO CC(C)C[NH2+]CC(F)F 37895145 571814277 /nfs/dbraw/zinc/81/42/77/571814277.db2.gz UIBUSJUFIXNCET-UHFFFAOYSA-N 1 0 137.173 1.497 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc[nH]1 37919132 571817356 /nfs/dbraw/zinc/81/73/56/571817356.db2.gz JDIBVPXVLYDLNP-BDAKNGLRSA-N 1 0 194.282 1.473 20 0 ADADRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc[nH]1 37919134 571815748 /nfs/dbraw/zinc/81/57/48/571815748.db2.gz JDIBVPXVLYDLNP-RKDXNWHRSA-N 1 0 194.282 1.473 20 0 ADADRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc[nH]1 37919133 571817169 /nfs/dbraw/zinc/81/71/69/571817169.db2.gz JDIBVPXVLYDLNP-IUCAKERBSA-N 1 0 194.282 1.473 20 0 ADADRO c1nnc(C[NH2+]C2CCCCC2)[nH]1 37919045 571817482 /nfs/dbraw/zinc/81/74/82/571817482.db2.gz VGLFDCPSFSOPQQ-UHFFFAOYSA-N 1 0 180.255 1.227 20 0 ADADRO CC1(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 710923787 571817804 /nfs/dbraw/zinc/81/78/04/571817804.db2.gz WJJGXVKQSKQRGO-KYZUINATSA-N 1 0 196.294 1.173 20 0 ADADRO C[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1O 37926066 571817952 /nfs/dbraw/zinc/81/79/52/571817952.db2.gz UXAIWEZPUPVVAO-ZJUUUORDSA-N 1 0 169.268 1.242 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc[nH]1 37919135 571817960 /nfs/dbraw/zinc/81/79/60/571817960.db2.gz JDIBVPXVLYDLNP-DTWKUNHWSA-N 1 0 194.282 1.473 20 0 ADADRO c1nnc(C[NH2+]C2CCCCCC2)[nH]1 37919120 571818246 /nfs/dbraw/zinc/81/82/46/571818246.db2.gz NJELHRNLXRYRRO-UHFFFAOYSA-N 1 0 194.282 1.617 20 0 ADADRO C[N@H+](CC1CC1)[C@H]1CCC[C@@H]1O 37926067 571818287 /nfs/dbraw/zinc/81/82/87/571818287.db2.gz UXAIWEZPUPVVAO-UWVGGRQHSA-N 1 0 169.268 1.242 20 0 ADADRO COCCCCC[NH2+][C@@H](C)[C@H](C)O 234620302 571820799 /nfs/dbraw/zinc/82/07/99/571820799.db2.gz ORIMXUJBZNVGAL-UWVGGRQHSA-N 1 0 189.299 1.162 20 0 ADADRO COCCCCC[NH2+][C@@H](C)[C@@H](C)O 234620134 571820828 /nfs/dbraw/zinc/82/08/28/571820828.db2.gz ORIMXUJBZNVGAL-VHSXEESVSA-N 1 0 189.299 1.162 20 0 ADADRO CCCOC(=O)[C@H](C(C)C)[NH+](C)C 113293398 571821852 /nfs/dbraw/zinc/82/18/52/571821852.db2.gz DCLAKPNNCSWRPF-VIFPVBQESA-N 1 0 187.283 1.526 20 0 ADADRO CC[N@@H+](Cc1cnn(C)n1)CC(C)C 687801916 571822532 /nfs/dbraw/zinc/82/25/32/571822532.db2.gz CYTRISUEIAVNOP-UHFFFAOYSA-N 1 0 196.298 1.293 20 0 ADADRO COCCCCC[NH2+][C@H](C)[C@@H](C)O 234627940 571828785 /nfs/dbraw/zinc/82/87/85/571828785.db2.gz ORIMXUJBZNVGAL-NXEZZACHSA-N 1 0 189.299 1.162 20 0 ADADRO CCC[NH2+]Cc1nc(C)cs1 38090568 571829904 /nfs/dbraw/zinc/82/99/04/571829904.db2.gz SFSITLWQEUTGHD-UHFFFAOYSA-N 1 0 170.281 1.951 20 0 ADADRO C[C@@H]([NH2+]CCN1CCC[C@H]1C)C1CC1 252173330 571829957 /nfs/dbraw/zinc/82/99/57/571829957.db2.gz OLAKWMWBPBSMNZ-GHMZBOCLSA-N 1 0 196.338 1.859 20 0 ADADRO COCCCCC[NH2+][C@H](C)[C@H](C)O 234628068 571830200 /nfs/dbraw/zinc/83/02/00/571830200.db2.gz ORIMXUJBZNVGAL-ZJUUUORDSA-N 1 0 189.299 1.162 20 0 ADADRO C[C@H](CC1CC1)[NH2+]Cc1cncn1C 78571236 571832452 /nfs/dbraw/zinc/83/24/52/571832452.db2.gz IMZRIUZRWXZHMV-SECBINFHSA-N 1 0 193.294 1.698 20 0 ADADRO C[NH2+]CCN(C)C(=O)c1cccs1 78571606 571833046 /nfs/dbraw/zinc/83/30/46/571833046.db2.gz BRWPEUMOMILCTH-UHFFFAOYSA-N 1 0 198.291 1.040 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]Cc1cncn1C 78571229 571834223 /nfs/dbraw/zinc/83/42/23/571834223.db2.gz IMZRIUZRWXZHMV-VIFPVBQESA-N 1 0 193.294 1.698 20 0 ADADRO CC[C@H](C)C[N@H+](C)[C@H](C)[C@@H](C)O 251762253 571836992 /nfs/dbraw/zinc/83/69/92/571836992.db2.gz HSSWLDNCQYXODI-IVZWLZJFSA-N 1 0 173.300 1.734 20 0 ADADRO CC[C@H](C)C[N@H+](C)[C@H](C)[C@H](C)O 251762246 571837159 /nfs/dbraw/zinc/83/71/59/571837159.db2.gz HSSWLDNCQYXODI-AEJSXWLSSA-N 1 0 173.300 1.734 20 0 ADADRO CC[C@H](C)C[N@H+](C)[C@@H](C)[C@H](C)O 251762250 571838267 /nfs/dbraw/zinc/83/82/67/571838267.db2.gz HSSWLDNCQYXODI-GUBZILKMSA-N 1 0 173.300 1.734 20 0 ADADRO CN1CC[C@@H]1C[NH2+]Cc1ccsc1 712581766 571844189 /nfs/dbraw/zinc/84/41/89/571844189.db2.gz PLQQNZWYHYCXPK-SNVBAGLBSA-N 1 0 196.319 1.542 20 0 ADADRO C[C@H]([NH3+])CNCc1ccccc1 38282252 571842405 /nfs/dbraw/zinc/84/24/05/571842405.db2.gz QEXJEJPSPOSZIS-VIFPVBQESA-N 1 0 164.252 1.123 20 0 ADADRO CCC[C@@H](CC)[NH2+]C[C@H]1CCN1C 712582549 571843731 /nfs/dbraw/zinc/84/37/31/571843731.db2.gz SESCHKGUEWQNLM-GHMZBOCLSA-N 1 0 184.327 1.859 20 0 ADADRO CC(C)CC[N@@H+]1CC[C@@H](CO)[C@H]1C 259405028 571843763 /nfs/dbraw/zinc/84/37/63/571843763.db2.gz MNADQKJPKMPNFG-MNOVXSKESA-N 1 0 185.311 1.735 20 0 ADADRO CCC[C@H](CC)[NH2+]C[C@@H]1CCN1C 712582553 571844985 /nfs/dbraw/zinc/84/49/85/571844985.db2.gz SESCHKGUEWQNLM-QWRGUYRKSA-N 1 0 184.327 1.859 20 0 ADADRO CCC[C@H](CC)[NH2+]C[C@H]1CCN1C 712582555 571845252 /nfs/dbraw/zinc/84/52/52/571845252.db2.gz SESCHKGUEWQNLM-WDEREUQCSA-N 1 0 184.327 1.859 20 0 ADADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CCN1C 712582551 571845719 /nfs/dbraw/zinc/84/57/19/571845719.db2.gz SESCHKGUEWQNLM-MNOVXSKESA-N 1 0 184.327 1.859 20 0 ADADRO CC(C)([NH3+])CCNCc1ccccn1 258870875 571845970 /nfs/dbraw/zinc/84/59/70/571845970.db2.gz ZOFCEQAFPYUZGS-UHFFFAOYSA-N 1 0 193.294 1.299 20 0 ADADRO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCN1C 712586131 571847401 /nfs/dbraw/zinc/84/74/01/571847401.db2.gz JOQILPWOLIWDGN-JQWIXIFHSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCN1C 712586133 571847526 /nfs/dbraw/zinc/84/75/26/571847526.db2.gz JOQILPWOLIWDGN-ZYHUDNBSSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCN1C 712586132 571847650 /nfs/dbraw/zinc/84/76/50/571847650.db2.gz JOQILPWOLIWDGN-PWSUYJOCSA-N 1 0 196.338 1.859 20 0 ADADRO CCC[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 5834661 571849494 /nfs/dbraw/zinc/84/94/94/571849494.db2.gz RTLXIYKLJPTERS-FGWVZKOKSA-N 1 0 182.311 1.611 20 0 ADADRO CCC[N@H+](C)C1CC1 5832590 571849599 /nfs/dbraw/zinc/84/95/99/571849599.db2.gz HFFBUTJCQGSVLC-UHFFFAOYSA-N 1 0 113.204 1.491 20 0 ADADRO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCN1C 712586130 571849764 /nfs/dbraw/zinc/84/97/64/571849764.db2.gz JOQILPWOLIWDGN-CMPLNLGQSA-N 1 0 196.338 1.859 20 0 ADADRO COC(=O)C[C@@H]([NH2+]C(C)C)C1CC1 259939780 571850220 /nfs/dbraw/zinc/85/02/20/571850220.db2.gz BMYSCBRLJRVLQK-SECBINFHSA-N 1 0 185.267 1.326 20 0 ADADRO CC[C@@H](O)C[NH+]1CCC(F)CC1 689379654 571850667 /nfs/dbraw/zinc/85/06/67/571850667.db2.gz HMMYOUQJFNZNKA-SECBINFHSA-N 1 0 175.247 1.191 20 0 ADADRO CC[C@H](C[NH3+])C(F)(F)F 38582250 571851470 /nfs/dbraw/zinc/85/14/70/571851470.db2.gz DEOOXUPGJFOQEF-SCSAIBSYSA-N 1 0 141.136 1.534 20 0 ADADRO CC[C@H](O)C[NH+]1CCC(F)CC1 689379657 571851722 /nfs/dbraw/zinc/85/17/22/571851722.db2.gz HMMYOUQJFNZNKA-VIFPVBQESA-N 1 0 175.247 1.191 20 0 ADADRO CC[C@@H](C[NH3+])C(F)(F)F 38582249 571852960 /nfs/dbraw/zinc/85/29/60/571852960.db2.gz DEOOXUPGJFOQEF-BYPYZUCNSA-N 1 0 141.136 1.534 20 0 ADADRO CCCC[NH2+]Cc1nonc1C 6042675 571857074 /nfs/dbraw/zinc/85/70/74/571857074.db2.gz LAPWOFQRCCIWJK-UHFFFAOYSA-N 1 0 169.228 1.268 20 0 ADADRO O[C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 215008460 571865885 /nfs/dbraw/zinc/86/58/85/571865885.db2.gz 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C[C@@H]([NH2+]CCO[C@H]1CCOC1)C1CC1 82456000 572024406 /nfs/dbraw/zinc/02/44/06/572024406.db2.gz GVIIEEXOUZHCCR-KOLCDFICSA-N 1 0 199.294 1.180 20 0 ADADRO CCCNC(=[NH2+])NC[C@H]1CCC[C@H]1C 300244307 572024792 /nfs/dbraw/zinc/02/47/92/572024792.db2.gz XESFJVGAFPNSOM-NXEZZACHSA-N 1 0 197.326 1.947 20 0 ADADRO C/C=C/C(=O)NC[C@@H]1CCC[N@H+]1CC 82389987 572024847 /nfs/dbraw/zinc/02/48/47/572024847.db2.gz POICJVHWOTWHLL-YVGDHZEHSA-N 1 0 196.294 1.163 20 0 ADADRO c1c[nH]c(CNCc2cscn2)n1 82395116 572024874 /nfs/dbraw/zinc/02/48/74/572024874.db2.gz OFNCUGXOPGMHRT-UHFFFAOYSA-N 1 0 194.263 1.156 20 0 ADADRO CC[C@H](C)[NH2+]CCO[C@H]1CCOC1 82455850 572025136 /nfs/dbraw/zinc/02/51/36/572025136.db2.gz WPLWWSONVYPVTD-UWVGGRQHSA-N 1 0 187.283 1.180 20 0 ADADRO C1CCC([NH2+]CCO[C@@H]2CCOC2)C1 82456031 572025237 /nfs/dbraw/zinc/02/52/37/572025237.db2.gz RGMLMANBPQRZPL-LLVKDONJSA-N 1 0 199.294 1.324 20 0 ADADRO C/C=C/C(=O)NCC(C)(C)C[NH+](C)C 82389988 572025524 /nfs/dbraw/zinc/02/55/24/572025524.db2.gz HJGSVYJWCCJPBE-VOTSOKGWSA-N 1 0 198.310 1.267 20 0 ADADRO CC[C@@H](C)[NH2+]CCO[C@H]1CCOC1 82455849 572025528 /nfs/dbraw/zinc/02/55/28/572025528.db2.gz WPLWWSONVYPVTD-ZJUUUORDSA-N 1 0 187.283 1.180 20 0 ADADRO CN1CCC[C@H]([NH2+]CCC2CCC2)C1 229080670 572027515 /nfs/dbraw/zinc/02/75/15/572027515.db2.gz LGWZUFKVSXFWCO-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@H]([NH2+]C/C=C/C1CC1)[C@H]1CCOC1 393465595 572027773 /nfs/dbraw/zinc/02/77/73/572027773.db2.gz NWCYPMIJWVRRJJ-CDVXORQFSA-N 1 0 195.306 1.967 20 0 ADADRO C[C@H]([NH2+]C/C=C\C1CC1)[C@H]1CCOC1 393465599 572028576 /nfs/dbraw/zinc/02/85/76/572028576.db2.gz NWCYPMIJWVRRJJ-OXJJUQKVSA-N 1 0 195.306 1.967 20 0 ADADRO CC[N@H+](CCCCO)C(C)C 35649842 572030300 /nfs/dbraw/zinc/03/03/00/572030300.db2.gz OOFDOOIORCJAPK-UHFFFAOYSA-N 1 0 159.273 1.489 20 0 ADADRO Cc1nnc(C[NH2+][C@H](C)C(C)C)n1C 35696118 572032601 /nfs/dbraw/zinc/03/26/01/572032601.db2.gz RINJGFGAKHEKNB-MRVPVSSYSA-N 1 0 196.298 1.258 20 0 ADADRO CCC[C@H](C)[NH2+]Cc1nnc(C)n1C 35695809 572032702 /nfs/dbraw/zinc/03/27/02/572032702.db2.gz GPQNQAOOFPXFGK-QMMMGPOBSA-N 1 0 196.298 1.402 20 0 ADADRO CCCC[NH2+]Cc1nnc(C)n1C 35695862 572032979 /nfs/dbraw/zinc/03/29/79/572032979.db2.gz BJNNRSZGLALXDU-UHFFFAOYSA-N 1 0 182.271 1.013 20 0 ADADRO Cc1nnc(C[NH2+]CCC(C)C)n1C 35695898 572033249 /nfs/dbraw/zinc/03/32/49/572033249.db2.gz LSOFBJJIBQYDDN-UHFFFAOYSA-N 1 0 196.298 1.259 20 0 ADADRO CC[C@@H](C)[NH2+]Cc1nnc(C)n1C 35695756 572034594 /nfs/dbraw/zinc/03/45/94/572034594.db2.gz RYHYHDROTNLYEW-SSDOTTSWSA-N 1 0 182.271 1.012 20 0 ADADRO CCC(CC)[NH2+]Cc1nnc(C)n1C 35695764 572035671 /nfs/dbraw/zinc/03/56/71/572035671.db2.gz DQLJLWTZXUQCFO-UHFFFAOYSA-N 1 0 196.298 1.402 20 0 ADADRO CC[C@H](C)[NH2+]Cc1nnc(C)n1C 35695758 572035599 /nfs/dbraw/zinc/03/55/99/572035599.db2.gz RYHYHDROTNLYEW-ZETCQYMHSA-N 1 0 182.271 1.012 20 0 ADADRO CCCCC[C@H](C)NC(=O)CC[NH3+] 36135749 572036743 /nfs/dbraw/zinc/03/67/43/572036743.db2.gz PFFAHICOBBDADN-VIFPVBQESA-N 1 0 186.299 1.420 20 0 ADADRO CCCCC[C@@H](C)NC(=O)CC[NH3+] 36135747 572037285 /nfs/dbraw/zinc/03/72/85/572037285.db2.gz PFFAHICOBBDADN-SECBINFHSA-N 1 0 186.299 1.420 20 0 ADADRO CCC[N@H+](C)CC(OCC)OCC 82486145 572037300 /nfs/dbraw/zinc/03/73/00/572037300.db2.gz USVKZTJMOXXEGJ-UHFFFAOYSA-N 1 0 189.299 1.727 20 0 ADADRO CC[NH2+]CC(=O)N1CCC[C@H](C)CC1 82490844 572037316 /nfs/dbraw/zinc/03/73/16/572037316.db2.gz RTNRTRJZHYZDBV-JTQLQIEISA-N 1 0 198.310 1.245 20 0 ADADRO CC[NH2+]CC(=O)N1CCC[C@@H](C)CC1 82490846 572037475 /nfs/dbraw/zinc/03/74/75/572037475.db2.gz RTNRTRJZHYZDBV-SNVBAGLBSA-N 1 0 198.310 1.245 20 0 ADADRO CCCC[C@H]([NH3+])C(=O)N1CCCC1 35931820 572038357 /nfs/dbraw/zinc/03/83/57/572038357.db2.gz IZWPGYBNYFIMCH-VIFPVBQESA-N 1 0 184.283 1.126 20 0 ADADRO CCCCC[C@@H](C)NC(=O)[C@H](C)[NH3+] 36135766 572038512 /nfs/dbraw/zinc/03/85/12/572038512.db2.gz RWRQCWIFYLCTJL-BDAKNGLRSA-N 1 0 186.299 1.419 20 0 ADADRO CCCC[C@@H]([NH3+])C(=O)N1CCCC1 35931823 572038729 /nfs/dbraw/zinc/03/87/29/572038729.db2.gz IZWPGYBNYFIMCH-SECBINFHSA-N 1 0 184.283 1.126 20 0 ADADRO CCOC(C[N@H+](C)C1CC1)OCC 82486137 572040139 /nfs/dbraw/zinc/04/01/39/572040139.db2.gz OXFIADJCTFIDGO-UHFFFAOYSA-N 1 0 187.283 1.480 20 0 ADADRO C[C@H](O)[C@@H](C)[N@H+](C)CC1CCCC1 82492700 572041820 /nfs/dbraw/zinc/04/18/20/572041820.db2.gz KVZLCCLLUYQMJS-ZJUUUORDSA-N 1 0 185.311 1.878 20 0 ADADRO C[C@@H]([C@@H](C)O)[N@H+](C)CC1CCCC1 82492695 572041993 /nfs/dbraw/zinc/04/19/93/572041993.db2.gz KVZLCCLLUYQMJS-VHSXEESVSA-N 1 0 185.311 1.878 20 0 ADADRO CN(CC1CCCC1)C[C@@H]1CCC[NH2+]1 82492413 572042163 /nfs/dbraw/zinc/04/21/63/572042163.db2.gz OWEXBPCUGRCZON-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]CCCCCCO 235594744 572042323 /nfs/dbraw/zinc/04/23/23/572042323.db2.gz WLXWIYLMCHVYSE-WDEREUQCSA-N 1 0 185.311 1.785 20 0 ADADRO CC[NH2+]CC(=O)N(C)CC1CCCC1 82492997 572042324 /nfs/dbraw/zinc/04/23/24/572042324.db2.gz MYHVEFHGPSPUJY-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CC[NH2+]CCc1cccc(OC)c1 36154466 572042608 /nfs/dbraw/zinc/04/26/08/572042608.db2.gz QVAZAZYBVWHEHA-UHFFFAOYSA-N 1 0 179.263 1.847 20 0 ADADRO C[C@H]1CCn2c([nH+]c3c2CCCC3)N1 235603110 572042743 /nfs/dbraw/zinc/04/27/43/572042743.db2.gz CFZXJCCTPSNCOQ-QMMMGPOBSA-N 1 0 191.278 1.966 20 0 ADADRO C[C@H](O)[C@H](C)[N@H+](C)CC1CCCC1 82492698 572043547 /nfs/dbraw/zinc/04/35/47/572043547.db2.gz KVZLCCLLUYQMJS-UWVGGRQHSA-N 1 0 185.311 1.878 20 0 ADADRO COC(C[NH2+][C@@H]1CCC[C@H]1C)OC 82534840 572045051 /nfs/dbraw/zinc/04/50/51/572045051.db2.gz NKRJOSQSCRPINK-RKDXNWHRSA-N 1 0 187.283 1.384 20 0 ADADRO COC(C[NH2+][C@H]1CCC[C@H]1C)OC 82534834 572045059 /nfs/dbraw/zinc/04/50/59/572045059.db2.gz NKRJOSQSCRPINK-BDAKNGLRSA-N 1 0 187.283 1.384 20 0 ADADRO CCC(CC)C[NH2+]Cc1cnc[nH]1 82515027 572045202 /nfs/dbraw/zinc/04/52/02/572045202.db2.gz CWMWYADLUMFQQQ-UHFFFAOYSA-N 1 0 181.283 1.936 20 0 ADADRO CCCCCCNC(=O)CCC[NH3+] 36204225 572045271 /nfs/dbraw/zinc/04/52/71/572045271.db2.gz XMHHIOLMDTZSAZ-UHFFFAOYSA-N 1 0 186.299 1.422 20 0 ADADRO COC(C[NH2+][C@H]1CCC[C@@H]1C)OC 82534837 572045728 /nfs/dbraw/zinc/04/57/28/572045728.db2.gz NKRJOSQSCRPINK-IUCAKERBSA-N 1 0 187.283 1.384 20 0 ADADRO COC(C[NH2+][C@@H]1CCC[C@@H]1C)OC 82534842 572045769 /nfs/dbraw/zinc/04/57/69/572045769.db2.gz NKRJOSQSCRPINK-DTWKUNHWSA-N 1 0 187.283 1.384 20 0 ADADRO CC(C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 711603283 572046219 /nfs/dbraw/zinc/04/62/19/572046219.db2.gz LUVOFQKQYGXPGB-KOLCDFICSA-N 1 0 196.294 1.043 20 0 ADADRO CCCCCCNC(=O)[C@H](C)[NH3+] 36204178 572046368 /nfs/dbraw/zinc/04/63/68/572046368.db2.gz URDBIVCUPTUUGH-QMMMGPOBSA-N 1 0 172.272 1.030 20 0 ADADRO C[C@@H]1C[NH2+]C[C@H]1CNCc1ccco1 82560522 572047052 /nfs/dbraw/zinc/04/70/52/572047052.db2.gz RIYZVEPIDQJPRS-ZJUUUORDSA-N 1 0 194.278 1.225 20 0 ADADRO C/C=C/C(=O)NCC(C)(C)[NH+](C)C 82551544 572048064 /nfs/dbraw/zinc/04/80/64/572048064.db2.gz KKOSHYLVCDKMGN-VOTSOKGWSA-N 1 0 184.283 1.019 20 0 ADADRO Cc1cc(C[NH2+]C[C@@H](O)C(C)C)no1 300917765 572048125 /nfs/dbraw/zinc/04/81/25/572048125.db2.gz SXKNCWCLQPZWMY-SNVBAGLBSA-N 1 0 198.266 1.090 20 0 ADADRO CC(C)(C)[NH2+]CC(=O)NC1CCC1 82557137 572048896 /nfs/dbraw/zinc/04/88/96/572048896.db2.gz XNSVAJWPKGHHLV-UHFFFAOYSA-N 1 0 184.283 1.043 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]CCCCCCO 235609950 572049662 /nfs/dbraw/zinc/04/96/62/572049662.db2.gz WLXWIYLMCHVYSE-QWRGUYRKSA-N 1 0 185.311 1.785 20 0 ADADRO CS[C@H]1CCC[C@@H]([NH2+]CCO)C1 235078882 572052202 /nfs/dbraw/zinc/05/22/02/572052202.db2.gz FNOCBXQKZIRVGB-BDAKNGLRSA-N 1 0 189.324 1.243 20 0 ADADRO C[C@H]1CC(C)(C)O[C@@H](C)[NH2+]1 34109258 572054622 /nfs/dbraw/zinc/05/46/22/572054622.db2.gz IQNOEDWQOFXIRN-BQBZGAKWSA-N 1 0 143.230 1.509 20 0 ADADRO CC/C=C(\C)C(=O)NCCC[NH2+]C 36279850 572054684 /nfs/dbraw/zinc/05/46/84/572054684.db2.gz ZRQDGWGHUPRNEI-RMKNXTFCSA-N 1 0 184.283 1.068 20 0 ADADRO CC/C=C(\C)C(=O)NCCC[NH2+]CC 36282019 572054803 /nfs/dbraw/zinc/05/48/03/572054803.db2.gz YGTTWCPIXFSPHQ-JXMROGBWSA-N 1 0 198.310 1.459 20 0 ADADRO CC[NH2+]CCCNC(=O)C=C(C)C 36282312 572054817 /nfs/dbraw/zinc/05/48/17/572054817.db2.gz HKHRHUTWYBMVOS-UHFFFAOYSA-N 1 0 184.283 1.068 20 0 ADADRO C[C@H](O)C[N@@H+]1CCC=C(Cl)C1 404346818 572055102 /nfs/dbraw/zinc/05/51/02/572055102.db2.gz MYCLBFWKIICHEL-ZETCQYMHSA-N 1 0 175.659 1.196 20 0 ADADRO c1cnc(NCCC[NH2+]C2CC2)nc1 36269409 572055344 /nfs/dbraw/zinc/05/53/44/572055344.db2.gz QHUMVGWPYLXNNU-UHFFFAOYSA-N 1 0 192.266 1.031 20 0 ADADRO CC(C)(C)C(=O)NCCC[NH2+]C1CC1 36262904 572056059 /nfs/dbraw/zinc/05/60/59/572056059.db2.gz GXOIHMCFFJGRIT-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H]1CC(C)(C)O[C@H](C)[NH2+]1 34109255 572056311 /nfs/dbraw/zinc/05/63/11/572056311.db2.gz IQNOEDWQOFXIRN-NKWVEPMBSA-N 1 0 143.230 1.509 20 0 ADADRO CN(CC[NH+](C)C)c1cccc(F)n1 82543321 572056633 /nfs/dbraw/zinc/05/66/33/572056633.db2.gz SZGBWNMOXQAEJX-UHFFFAOYSA-N 1 0 197.257 1.219 20 0 ADADRO C[C@@H](CN)[NH2+][C@H](C)Cc1cccs1 235094267 572058372 /nfs/dbraw/zinc/05/83/72/572058372.db2.gz DONVIJZLVIOPRZ-BDAKNGLRSA-N 1 0 198.335 1.616 20 0 ADADRO C[N@H+](CCOC1CC1)[C@@H]1CCC[C@H]1O 711657605 572058648 /nfs/dbraw/zinc/05/86/48/572058648.db2.gz NUSPCHCYSRCYMF-GHMZBOCLSA-N 1 0 199.294 1.011 20 0 ADADRO C=CC(=O)N(C)C1CC[NH+](CC)CC1 36335039 572058906 /nfs/dbraw/zinc/05/89/06/572058906.db2.gz QNTSWPQALVMCQK-UHFFFAOYSA-N 1 0 196.294 1.115 20 0 ADADRO C=CC(=O)NCCC[NH+]1CCCCC1 36334513 572059612 /nfs/dbraw/zinc/05/96/12/572059612.db2.gz SDMWSBLCHLNWTH-UHFFFAOYSA-N 1 0 196.294 1.165 20 0 ADADRO C=CC(=O)NCC[NH+](C(C)C)C(C)C 36334175 572059751 /nfs/dbraw/zinc/05/97/51/572059751.db2.gz GLQPWSOBWYWGJS-UHFFFAOYSA-N 1 0 198.310 1.407 20 0 ADADRO Cc1ccc([C@@H](C)N[C@@H](C)C[NH3+])o1 235095167 572060085 /nfs/dbraw/zinc/06/00/85/572060085.db2.gz IPCBCXKOGGQJIW-IONNQARKSA-N 1 0 182.267 1.586 20 0 ADADRO C[C@@H](C[NH3+])NC(=O)CC1=CCCCC1 82577534 572060255 /nfs/dbraw/zinc/06/02/55/572060255.db2.gz BJZDFBBEKRKMJX-VIFPVBQESA-N 1 0 196.294 1.340 20 0 ADADRO C[C@@H](CN)[NH2+][C@H](C)Cc1ccsc1 235094326 572060464 /nfs/dbraw/zinc/06/04/64/572060464.db2.gz UAPCHGCKPHCAGQ-BDAKNGLRSA-N 1 0 198.335 1.616 20 0 ADADRO C[C@@H](C[NH3+])N[C@H](C)c1ccc(F)cc1 235095474 572061075 /nfs/dbraw/zinc/06/10/75/572061075.db2.gz RYBQRDXDFPMXHJ-DTWKUNHWSA-N 1 0 196.269 1.824 20 0 ADADRO CC[C@@]1([NH2+]CCOC2CC2)CCOC1 711659416 572061411 /nfs/dbraw/zinc/06/14/11/572061411.db2.gz PUVDEBXCWHGBFY-LLVKDONJSA-N 1 0 199.294 1.324 20 0 ADADRO Cc1ccccc1[C@@H](C)N[C@@H](C)C[NH3+] 235096625 572061596 /nfs/dbraw/zinc/06/15/96/572061596.db2.gz QMPXQIHKJNEORW-WDEREUQCSA-N 1 0 192.306 1.993 20 0 ADADRO C1CC(C[NH2+]C[C@H]2CCCOC2)C1 82580704 572061746 /nfs/dbraw/zinc/06/17/46/572061746.db2.gz WWZHRDTVGVNVCB-LLVKDONJSA-N 1 0 183.295 1.803 20 0 ADADRO C1CC(C[NH2+]C[C@@H]2CCCOC2)C1 82580703 572062119 /nfs/dbraw/zinc/06/21/19/572062119.db2.gz WWZHRDTVGVNVCB-NSHDSACASA-N 1 0 183.295 1.803 20 0 ADADRO C[C@@H](C[NH3+])N[C@H](C)c1cccc(F)c1 235096244 572062205 /nfs/dbraw/zinc/06/22/05/572062205.db2.gz NMSTWBRXZZBBTE-DTWKUNHWSA-N 1 0 196.269 1.824 20 0 ADADRO CC/C=C(/C)C(=O)NC[C@@H]([NH3+])CC 82578995 572062343 /nfs/dbraw/zinc/06/23/43/572062343.db2.gz JDSJYJQHGILHMH-XZLDQRQTSA-N 1 0 184.283 1.196 20 0 ADADRO CC(C)N(C)Cc1ncc[nH]1 205261825 572062763 /nfs/dbraw/zinc/06/27/63/572062763.db2.gz IOKGKPXZHYIOAG-UHFFFAOYSA-N 1 0 153.229 1.250 20 0 ADADRO C[C@@H](C[NH3+])N[C@H](C)c1cccc(O)c1 235096401 572063112 /nfs/dbraw/zinc/06/31/12/572063112.db2.gz DWGWLUBJGLITEB-DTWKUNHWSA-N 1 0 194.278 1.390 20 0 ADADRO C[C@@H](C[NH3+])N[C@H](C)c1cccs1 235096967 572063140 /nfs/dbraw/zinc/06/31/40/572063140.db2.gz WTYCWDRAQDPMOU-JGVFFNPUSA-N 1 0 184.308 1.746 20 0 ADADRO C[C@@H]([NH3+])CN(C)C(=O)CC(C)(C)C 82589968 572063870 /nfs/dbraw/zinc/06/38/70/572063870.db2.gz GKWCRTBZKSLAHF-MRVPVSSYSA-N 1 0 186.299 1.228 20 0 ADADRO CCC[C@H](C)C(=O)N(C)C[C@@H](C)[NH3+] 82589856 572063219 /nfs/dbraw/zinc/06/32/19/572063219.db2.gz SVMVZYLLDIBBRX-DTWKUNHWSA-N 1 0 186.299 1.228 20 0 ADADRO CC[C@H](CO)[NH2+]CCc1cccs1 82602230 572063225 /nfs/dbraw/zinc/06/32/25/572063225.db2.gz ZCXGFULISOEILJ-SECBINFHSA-N 1 0 199.319 1.651 20 0 ADADRO Cc1occc1C(=O)N(C)C[C@H](C)[NH3+] 82589870 572063360 /nfs/dbraw/zinc/06/33/60/572063360.db2.gz QCLBCLKWDSBJNI-ZETCQYMHSA-N 1 0 196.250 1.007 20 0 ADADRO Cc1cccc([C@@H](C)N[C@@H](C)C[NH3+])c1 235096148 572063384 /nfs/dbraw/zinc/06/33/84/572063384.db2.gz AEKJIUBHGDXOQX-WDEREUQCSA-N 1 0 192.306 1.993 20 0 ADADRO C[C@@H](C[NH3+])N[C@H](C)c1ccco1 235096919 572063455 /nfs/dbraw/zinc/06/34/55/572063455.db2.gz GSJLFWOAJDZFOI-JGVFFNPUSA-N 1 0 168.240 1.277 20 0 ADADRO C[C@@H]([NH3+])CN(C)C(=O)c1ccccc1 82589792 572063467 /nfs/dbraw/zinc/06/34/67/572063467.db2.gz NREHWTRKJXGDMA-SECBINFHSA-N 1 0 192.262 1.106 20 0 ADADRO CCC[C@@H](C)C(=O)N(C)C[C@@H](C)[NH3+] 82589855 572063523 /nfs/dbraw/zinc/06/35/23/572063523.db2.gz SVMVZYLLDIBBRX-RKDXNWHRSA-N 1 0 186.299 1.228 20 0 ADADRO CCC(CC)C(=O)N(C)C[C@@H](C)[NH3+] 82589793 572063749 /nfs/dbraw/zinc/06/37/49/572063749.db2.gz LEZRTWSNXZXFQI-MRVPVSSYSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@@H](C[NH3+])N[C@H](C)c1ccsc1 235097063 572063752 /nfs/dbraw/zinc/06/37/52/572063752.db2.gz TVZBJEAZZMYWLJ-JGVFFNPUSA-N 1 0 184.308 1.746 20 0 ADADRO C[C@H]([NH3+])CN(C)C(=O)CC(C)(C)C 82589967 572063819 /nfs/dbraw/zinc/06/38/19/572063819.db2.gz GKWCRTBZKSLAHF-QMMMGPOBSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@H]([NH3+])CN(C)C(=O)CC1CCCC1 82589833 572063919 /nfs/dbraw/zinc/06/39/19/572063919.db2.gz KNLMXWUUSSMCPW-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO Cc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])o1 82589915 572064170 /nfs/dbraw/zinc/06/41/70/572064170.db2.gz SPHDWDOKKMUYJQ-SSDOTTSWSA-N 1 0 196.250 1.007 20 0 ADADRO Cc1ccoc1C(=O)N(C)C[C@@H](C)[NH3+] 82589805 572064192 /nfs/dbraw/zinc/06/41/92/572064192.db2.gz FIMWTNJZEMPDPP-MRVPVSSYSA-N 1 0 196.250 1.007 20 0 ADADRO CCC(C)(C)C(=O)N(C)C[C@H](C)[NH3+] 82589922 572064261 /nfs/dbraw/zinc/06/42/61/572064261.db2.gz SXTAWPWCWVBUAA-QMMMGPOBSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@@H]([NH3+])CN(C)C(=O)C1CCCCC1 82589850 572064383 /nfs/dbraw/zinc/06/43/83/572064383.db2.gz ZPSMVTBOIHJZOZ-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)CCC(=O)N(C)C[C@@H](C)[NH3+] 82589889 572064406 /nfs/dbraw/zinc/06/44/06/572064406.db2.gz TUAKIJBRCXUPAV-SECBINFHSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@H]([NH3+])CN(C)C(=O)c1ccccc1 82589791 572064412 /nfs/dbraw/zinc/06/44/12/572064412.db2.gz NREHWTRKJXGDMA-VIFPVBQESA-N 1 0 192.262 1.106 20 0 ADADRO CCC[C@@H](C)C(=O)N(C)C[C@H](C)[NH3+] 82589857 572064441 /nfs/dbraw/zinc/06/44/41/572064441.db2.gz SVMVZYLLDIBBRX-BDAKNGLRSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@H]([NH3+])CN(C)C(=O)C1CCCCC1 82589849 572064535 /nfs/dbraw/zinc/06/45/35/572064535.db2.gz ZPSMVTBOIHJZOZ-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO CCCCCC(=O)N(C)C[C@H](C)[NH3+] 82589822 572064542 /nfs/dbraw/zinc/06/45/42/572064542.db2.gz PUAUKZSRNNFQRP-VIFPVBQESA-N 1 0 186.299 1.372 20 0 ADADRO CCCCCC(=O)N(C)C[C@@H](C)[NH3+] 82589821 572064605 /nfs/dbraw/zinc/06/46/05/572064605.db2.gz PUAUKZSRNNFQRP-SECBINFHSA-N 1 0 186.299 1.372 20 0 ADADRO C[C@@H]([NH3+])CN(C)C(=O)CC1CCCC1 82589834 572064831 /nfs/dbraw/zinc/06/48/31/572064831.db2.gz KNLMXWUUSSMCPW-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO Cc1ccoc1C(=O)N(C)C[C@H](C)[NH3+] 82589806 572064895 /nfs/dbraw/zinc/06/48/95/572064895.db2.gz FIMWTNJZEMPDPP-QMMMGPOBSA-N 1 0 196.250 1.007 20 0 ADADRO CC[C@@H](CO)[NH2+]CCc1cccs1 82602229 572065029 /nfs/dbraw/zinc/06/50/29/572065029.db2.gz ZCXGFULISOEILJ-VIFPVBQESA-N 1 0 199.319 1.651 20 0 ADADRO CCC[C@H](C)C(=O)N(C)C[C@H](C)[NH3+] 82601530 572065061 /nfs/dbraw/zinc/06/50/61/572065061.db2.gz SVMVZYLLDIBBRX-IUCAKERBSA-N 1 0 186.299 1.228 20 0 ADADRO Cc1ccc(C(=O)N(C)C[C@H](C)[NH3+])o1 82589916 572065141 /nfs/dbraw/zinc/06/51/41/572065141.db2.gz SPHDWDOKKMUYJQ-ZETCQYMHSA-N 1 0 196.250 1.007 20 0 ADADRO Cc1occc1C(=O)N(C)C[C@@H](C)[NH3+] 82589869 572065175 /nfs/dbraw/zinc/06/51/75/572065175.db2.gz QCLBCLKWDSBJNI-SSDOTTSWSA-N 1 0 196.250 1.007 20 0 ADADRO CCC(C)(C)C(=O)N(C)C[C@@H](C)[NH3+] 82589921 572065365 /nfs/dbraw/zinc/06/53/65/572065365.db2.gz SXTAWPWCWVBUAA-MRVPVSSYSA-N 1 0 186.299 1.228 20 0 ADADRO CC(C)CCC(=O)N(C)C[C@H](C)[NH3+] 82589890 572065377 /nfs/dbraw/zinc/06/53/77/572065377.db2.gz TUAKIJBRCXUPAV-VIFPVBQESA-N 1 0 186.299 1.228 20 0 ADADRO CCC(CC)C(=O)N(C)C[C@H](C)[NH3+] 82589794 572065384 /nfs/dbraw/zinc/06/53/84/572065384.db2.gz LEZRTWSNXZXFQI-QMMMGPOBSA-N 1 0 186.299 1.228 20 0 ADADRO CC/C=C(\C)C(=O)N1CCC([NH3+])CC1 36753445 572067609 /nfs/dbraw/zinc/06/76/09/572067609.db2.gz KMSLXEOSZHIVJT-RUDMXATFSA-N 1 0 196.294 1.292 20 0 ADADRO CCC[NH2+]Cc1ncc(Cl)n1C 36804585 572070102 /nfs/dbraw/zinc/07/01/02/572070102.db2.gz JWBGDTINIRGFJE-UHFFFAOYSA-N 1 0 187.674 1.573 20 0 ADADRO Cc1n[nH]c(C)c1C[NH2+]CC1CC1 36864476 572070928 /nfs/dbraw/zinc/07/09/28/572070928.db2.gz LAOVWYXHXYZZGS-UHFFFAOYSA-N 1 0 179.267 1.526 20 0 ADADRO CS[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)C1 235104416 572071692 /nfs/dbraw/zinc/07/16/92/572071692.db2.gz VSDPXWCRZXXSJS-VGMNWLOBSA-N 1 0 189.324 1.241 20 0 ADADRO COCC[NH2+]C[C@H]1CC1(Cl)Cl 82625792 572073281 /nfs/dbraw/zinc/07/32/81/572073281.db2.gz IIBSOBALBQRGQC-ZCFIWIBFSA-N 1 0 198.093 1.416 20 0 ADADRO C[NH2+]CCCc1nc(CC(C)C)no1 36925196 572073284 /nfs/dbraw/zinc/07/32/84/572073284.db2.gz UWJMLGKULQOMEV-UHFFFAOYSA-N 1 0 197.282 1.420 20 0 ADADRO CS[C@H]1CC[C@H]([NH2+]C[C@H](C)O)C1 235104996 572073531 /nfs/dbraw/zinc/07/35/31/572073531.db2.gz VSDPXWCRZXXSJS-CIUDSAMLSA-N 1 0 189.324 1.241 20 0 ADADRO CCc1nccn1CC[NH+]1CCCC1 82615398 572074198 /nfs/dbraw/zinc/07/41/98/572074198.db2.gz BWXLCTLQOONAGP-UHFFFAOYSA-N 1 0 193.294 1.541 20 0 ADADRO COCC[NH2+]C[C@@H]1CC1(Cl)Cl 82625791 572074931 /nfs/dbraw/zinc/07/49/31/572074931.db2.gz IIBSOBALBQRGQC-LURJTMIESA-N 1 0 198.093 1.416 20 0 ADADRO CC[NH2+]CC(=O)NCC1(C)CCCC1 82625698 572075217 /nfs/dbraw/zinc/07/52/17/572075217.db2.gz QGFQQWLXGLZNGI-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CCC[C@H](C)[NH2+][C@@H](C)c1nncn1C 37017139 572078077 /nfs/dbraw/zinc/07/80/77/572078077.db2.gz XXIMTDYPDZURQN-IUCAKERBSA-N 1 0 196.298 1.654 20 0 ADADRO CCC[N@H+](CCC(C)C)CC(N)=O 388347139 572077275 /nfs/dbraw/zinc/07/72/75/572077275.db2.gz MQQCDBYZXWJFKV-UHFFFAOYSA-N 1 0 186.299 1.230 20 0 ADADRO C[NH2+]CCN(C)Cc1scnc1C 82633162 572077855 /nfs/dbraw/zinc/07/78/55/572077855.db2.gz LBMJEWKRHVOUAF-UHFFFAOYSA-N 1 0 199.323 1.103 20 0 ADADRO CC/C=C(\C)C(=O)NC1CC[NH2+]CC1 36962368 572078244 /nfs/dbraw/zinc/07/82/44/572078244.db2.gz KAEILSKMXUFCDD-RUDMXATFSA-N 1 0 196.294 1.211 20 0 ADADRO CCC[C@@H](C)[NH2+][C@@H](C)c1nncn1C 37017138 572078281 /nfs/dbraw/zinc/07/82/81/572078281.db2.gz XXIMTDYPDZURQN-BDAKNGLRSA-N 1 0 196.298 1.654 20 0 ADADRO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C=CCC1 711688876 572078600 /nfs/dbraw/zinc/07/86/00/572078600.db2.gz WWOCNQOIMLZSAT-VHSXEESVSA-N 1 0 196.294 1.052 20 0 ADADRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C=CCC1 711688878 572078716 /nfs/dbraw/zinc/07/87/16/572078716.db2.gz WWOCNQOIMLZSAT-ZJUUUORDSA-N 1 0 196.294 1.052 20 0 ADADRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCO 82658688 572078863 /nfs/dbraw/zinc/07/88/63/572078863.db2.gz SFALORVWOSDXLA-MNOVXSKESA-N 1 0 185.311 1.879 20 0 ADADRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCO 82658690 572078899 /nfs/dbraw/zinc/07/88/99/572078899.db2.gz SFALORVWOSDXLA-GHMZBOCLSA-N 1 0 185.311 1.879 20 0 ADADRO C[C@H](O)[C@@H]([NH3+])c1ccc(F)c(F)c1 34414286 572078954 /nfs/dbraw/zinc/07/89/54/572078954.db2.gz BKMCHPFXUMNRLJ-SSDLBLMSSA-N 1 0 187.189 1.345 20 0 ADADRO C=CC(=O)N[C@H](C)C[NH+]1CCCCC1 36999336 572079387 /nfs/dbraw/zinc/07/93/87/572079387.db2.gz JFHOEAUZYDNLPX-SNVBAGLBSA-N 1 0 196.294 1.163 20 0 ADADRO CCC[C@H](C)[NH2+][C@H](C)c1nncn1C 37017141 572079863 /nfs/dbraw/zinc/07/98/63/572079863.db2.gz XXIMTDYPDZURQN-DTWKUNHWSA-N 1 0 196.298 1.654 20 0 ADADRO C=CC(=O)N[C@@H](C)C[NH+]1CCCCC1 36999335 572079937 /nfs/dbraw/zinc/07/99/37/572079937.db2.gz JFHOEAUZYDNLPX-JTQLQIEISA-N 1 0 196.294 1.163 20 0 ADADRO CCC[C@@H](C)[NH2+][C@H](C)c1nncn1C 37017140 572080085 /nfs/dbraw/zinc/08/00/85/572080085.db2.gz 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148.209 1.303 20 0 ADADRO CC[C@H]([NH3+])c1cc(F)ccc1N 104576198 573023971 /nfs/dbraw/zinc/02/39/71/573023971.db2.gz IWKHCLIXVYUVOY-QMMMGPOBSA-N 1 0 168.215 1.818 20 0 ADADRO CCC(CC)NC(=O)[C@H]([NH3+])CC1CC1 308477716 573024269 /nfs/dbraw/zinc/02/42/69/573024269.db2.gz LSHJHAQVTLCOOG-SNVBAGLBSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@H]1C[NH2+]CC[C@H]1C1CCOCC1 82393643 573024531 /nfs/dbraw/zinc/02/45/31/573024531.db2.gz VEAUVCOFOCPKCU-GXSJLCMTSA-N 1 0 183.295 1.659 20 0 ADADRO CC[C@@H]([NH3+])c1cc(F)ccc1N 104576202 573025299 /nfs/dbraw/zinc/02/52/99/573025299.db2.gz IWKHCLIXVYUVOY-MRVPVSSYSA-N 1 0 168.215 1.818 20 0 ADADRO Nc1ccc([C@@H]2CC[NH2+]2)cc1 104572988 573026395 /nfs/dbraw/zinc/02/63/95/573026395.db2.gz AYKDLDBJFGJLRB-VIFPVBQESA-N 1 0 148.209 1.303 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CC1(CO)CCCC1 308477058 573026492 /nfs/dbraw/zinc/02/64/92/573026492.db2.gz FCIJCNLSZWQWPV-GHMZBOCLSA-N 1 0 197.322 1.927 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCc1cn[nH]c1 308227422 573027013 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Nc1cccc([C@@H]2CC[NH2+]2)c1 104579025 573029827 /nfs/dbraw/zinc/02/98/27/573029827.db2.gz CKVJWBTYZQSZTE-VIFPVBQESA-N 1 0 148.209 1.303 20 0 ADADRO CC[C@H]([NH3+])c1ccccc1CO 104577577 573031176 /nfs/dbraw/zinc/03/11/76/573031176.db2.gz BYRWKULCJOQFRU-JTQLQIEISA-N 1 0 165.236 1.589 20 0 ADADRO C[C@H]1CC[NH2+]C[C@@H]1c1cnn(C)c1 85442623 573030726 /nfs/dbraw/zinc/03/07/26/573030726.db2.gz MBNWCCSTNRJUDF-WPRPVWTQSA-N 1 0 179.267 1.133 20 0 ADADRO CCn1cc([C@@H]2C[NH2+]CC[C@@H]2C)cn1 85442635 573032676 /nfs/dbraw/zinc/03/26/76/573032676.db2.gz FRWMKGJYHQHVIT-GXSJLCMTSA-N 1 0 193.294 1.616 20 0 ADADRO CCCN(CC(C)C)C(=O)C1C[NH2+]C1 308485540 573032721 /nfs/dbraw/zinc/03/27/21/573032721.db2.gz OCIGASFROWSZKF-UHFFFAOYSA-N 1 0 198.310 1.100 20 0 ADADRO CCn1cc([C@@H]2C[NH2+]CC[C@H]2C)cn1 85442639 573033010 /nfs/dbraw/zinc/03/30/10/573033010.db2.gz FRWMKGJYHQHVIT-MWLCHTKSSA-N 1 0 193.294 1.616 20 0 ADADRO CC(C)[C@H]([NH3+])c1cscn1 82406230 573033182 /nfs/dbraw/zinc/03/31/82/573033182.db2.gz MZYSRMUFWGDMPV-ZETCQYMHSA-N 1 0 156.254 1.799 20 0 ADADRO CCn1cc([C@H]2C[NH2+]CC[C@H]2C)cn1 85442641 573033478 /nfs/dbraw/zinc/03/34/78/573033478.db2.gz FRWMKGJYHQHVIT-KOLCDFICSA-N 1 0 193.294 1.616 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@@H]1c1cnn(C)c1 85442620 573033577 /nfs/dbraw/zinc/03/35/77/573033577.db2.gz MBNWCCSTNRJUDF-SCZZXKLOSA-N 1 0 179.267 1.133 20 0 ADADRO CCn1cc([C@H]2C[NH2+]CC[C@@H]2C)cn1 85442637 573033770 /nfs/dbraw/zinc/03/37/70/573033770.db2.gz FRWMKGJYHQHVIT-ONGXEEELSA-N 1 0 193.294 1.616 20 0 ADADRO CC[NH+](CC)CCOC(=O)C1CC1 308235393 573034247 /nfs/dbraw/zinc/03/42/47/573034247.db2.gz QSNWMDKRZOMKMA-UHFFFAOYSA-N 1 0 185.267 1.281 20 0 ADADRO CCCOC(=O)N[C@@H](C)C[NH+](C)C 308235161 573034911 /nfs/dbraw/zinc/03/49/11/573034911.db2.gz VRRINHAJLLHKMU-QMMMGPOBSA-N 1 0 188.271 1.073 20 0 ADADRO c1ncc(C[NH2+]C2CCSCC2)[nH]1 82432950 573037643 /nfs/dbraw/zinc/03/76/43/573037643.db2.gz TVPVCZHEQALOHC-UHFFFAOYSA-N 1 0 197.307 1.395 20 0 ADADRO Cc1ccc(CN(C)C[C@@H](C)[NH3+])nc1 393656303 573037882 /nfs/dbraw/zinc/03/78/82/573037882.db2.gz JRUWRHWQGKVFMA-SNVBAGLBSA-N 1 0 193.294 1.169 20 0 ADADRO C[NH2+]C[C@@H](C)CNC(=O)C=C1CCC1 308882975 573038880 /nfs/dbraw/zinc/03/88/80/573038880.db2.gz REZNXWHGHWMMAB-SECBINFHSA-N 1 0 196.294 1.068 20 0 ADADRO CCC1(C(=O)NCCCC[NH3+])CCC1 308843799 573039148 /nfs/dbraw/zinc/03/91/48/573039148.db2.gz LENDCLXXPNWLAX-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO C[NH2+]Cc1ccc2cccnc2c1 82445117 573039874 /nfs/dbraw/zinc/03/98/74/573039874.db2.gz YQMQUKHWTGOTRV-UHFFFAOYSA-N 1 0 172.231 1.954 20 0 ADADRO Cc1ccc(CN(C)C[C@H](C)[NH3+])nc1 393656301 573040586 /nfs/dbraw/zinc/04/05/86/573040586.db2.gz JRUWRHWQGKVFMA-JTQLQIEISA-N 1 0 193.294 1.169 20 0 ADADRO C[C@H](CCO)[NH2+]C/C=C/Cl 235449109 573041659 /nfs/dbraw/zinc/04/16/59/573041659.db2.gz LMTVGBYPCLCTQP-NUOXCJHRSA-N 1 0 163.648 1.099 20 0 ADADRO CC(C)CC[NH2+]CCCF 88024370 573044433 /nfs/dbraw/zinc/04/44/33/573044433.db2.gz WMVCEXGAUJDCAJ-UHFFFAOYSA-N 1 0 147.237 1.982 20 0 ADADRO CNC(=[NH2+])NCc1cc(F)ccc1F 82452182 573045243 /nfs/dbraw/zinc/04/52/43/573045243.db2.gz RMPMJTCBEHXAQV-UHFFFAOYSA-N 1 0 199.204 1.209 20 0 ADADRO C[C@H]1CN2C(=[NH+]CC[C@H]2C2(C)CC2)N1 235694757 573047001 /nfs/dbraw/zinc/04/70/01/573047001.db2.gz ICQBHJJDBGTEFF-IUCAKERBSA-N 1 0 193.294 1.209 20 0 ADADRO C[C@@H]1CC=CC[C@@H]1[NH3+] 104591620 573048091 /nfs/dbraw/zinc/04/80/91/573048091.db2.gz XOWHWAQWVZMRDS-RQJHMYQMSA-N 1 0 111.188 1.300 20 0 ADADRO CCC(CC)[NH2+]Cc1cc(C)n[nH]1 308247927 573048108 /nfs/dbraw/zinc/04/81/08/573048108.db2.gz YLDNBHYCOXTVAN-UHFFFAOYSA-N 1 0 181.283 1.996 20 0 ADADRO CCCCC[N@H+](CC)CC(=O)NC 308248108 573048508 /nfs/dbraw/zinc/04/85/08/573048508.db2.gz YUXSFADYPSBSQM-UHFFFAOYSA-N 1 0 186.299 1.245 20 0 ADADRO C1CC(C[C@@H]2CCOC2)CC[NH2+]1 82457338 573048556 /nfs/dbraw/zinc/04/85/56/573048556.db2.gz HCBUCIZIWUZSJV-JTQLQIEISA-N 1 0 169.268 1.413 20 0 ADADRO c1c(C2CC2)n[nH]c1[C@@H]1CCC[NH2+]1 88039745 573050896 /nfs/dbraw/zinc/05/08/96/573050896.db2.gz AYZDBAVTXMOVLX-QMMMGPOBSA-N 1 0 177.251 1.712 20 0 ADADRO c1c(C2CC2)n[nH]c1[C@H]1CCC[NH2+]1 88039747 573051130 /nfs/dbraw/zinc/05/11/30/573051130.db2.gz AYZDBAVTXMOVLX-MRVPVSSYSA-N 1 0 177.251 1.712 20 0 ADADRO CC[NH2+][C@@H](CC)[C@H]1CCOC1 82456926 573052155 /nfs/dbraw/zinc/05/21/55/573052155.db2.gz OIVNGPIAPNMKGV-IUCAKERBSA-N 1 0 157.257 1.411 20 0 ADADRO CC[NH2+][C@H](CC)[C@@H]1CCOC1 82456925 573052233 /nfs/dbraw/zinc/05/22/33/573052233.db2.gz OIVNGPIAPNMKGV-RKDXNWHRSA-N 1 0 157.257 1.411 20 0 ADADRO CCN(C)C(=O)C[N@H+](CC)C(C)C 308248723 573052272 /nfs/dbraw/zinc/05/22/72/573052272.db2.gz ZYKOWFDJXDIMFN-UHFFFAOYSA-N 1 0 186.299 1.195 20 0 ADADRO C[C@@H]1CC[N@@H+]1CC1(O)CCCC1 123525099 573054296 /nfs/dbraw/zinc/05/42/96/573054296.db2.gz SMSJSUDEIXZXIX-SECBINFHSA-N 1 0 169.268 1.386 20 0 ADADRO [NH3+]C1(C[NH2+]C2CCC2)CCC1 88052100 573054475 /nfs/dbraw/zinc/05/44/75/573054475.db2.gz GZALHYMNSJORSY-UHFFFAOYSA-N 1 0 154.257 1.010 20 0 ADADRO Cc1cccnc1NCc1ccon1 88054266 573056403 /nfs/dbraw/zinc/05/64/03/573056403.db2.gz YARKCAQVAAYVPG-UHFFFAOYSA-N 1 0 189.218 1.990 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CCOC1CCC1 308250181 573057184 /nfs/dbraw/zinc/05/71/84/573057184.db2.gz HCLJKJRZTZOLKL-MWLCHTKSSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+]CCOC1CCC1 308250177 573057348 /nfs/dbraw/zinc/05/73/48/573057348.db2.gz HCLJKJRZTZOLKL-GXSJLCMTSA-N 1 0 183.295 1.944 20 0 ADADRO CCCCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 308488300 573057583 /nfs/dbraw/zinc/05/75/83/573057583.db2.gz QAYOBQFSICDMLM-MNOVXSKESA-N 1 0 183.295 1.491 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCOC1CCC1 308250179 573058725 /nfs/dbraw/zinc/05/87/25/573058725.db2.gz HCLJKJRZTZOLKL-KOLCDFICSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+]CCOC1CCC1 308250183 573058802 /nfs/dbraw/zinc/05/88/02/573058802.db2.gz HCLJKJRZTZOLKL-ONGXEEELSA-N 1 0 183.295 1.944 20 0 ADADRO CC(C)C(=O)NCCC[NH2+]CC1CC1 308492364 573059127 /nfs/dbraw/zinc/05/91/27/573059127.db2.gz CBVGTBDHAFROSW-UHFFFAOYSA-N 1 0 198.310 1.148 20 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CCNCKLVOZSROGZ-NSHDSACASA-N 1 0 194.278 1.361 20 0 ADADRO CC(C)[C@@H]([NH2+]CCO)c1ccccn1 308492397 573062515 /nfs/dbraw/zinc/06/25/15/573062515.db2.gz CCNCKLVOZSROGZ-LLVKDONJSA-N 1 0 194.278 1.361 20 0 ADADRO CC[C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F 308243737 573063874 /nfs/dbraw/zinc/06/38/74/573063874.db2.gz UAYGEAZRDIAFLA-RQJHMYQMSA-N 1 0 199.216 1.952 20 0 ADADRO CC[C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F 308243736 573064652 /nfs/dbraw/zinc/06/46/52/573064652.db2.gz UAYGEAZRDIAFLA-RNFRBKRXSA-N 1 0 199.216 1.952 20 0 ADADRO CCC[C@H](O)C[N@H+](C)C[C@@H](C)OC 308241828 573064751 /nfs/dbraw/zinc/06/47/51/573064751.db2.gz YWUICVXWTOOEOK-ZJUUUORDSA-N 1 0 189.299 1.114 20 0 ADADRO CC[C@@H]1CNCC[N@@H+]1CC(C)C 82476487 573066099 /nfs/dbraw/zinc/06/60/99/573066099.db2.gz LOXXHVINWUDBEE-SNVBAGLBSA-N 1 0 170.300 1.326 20 0 ADADRO CCc1cc(C[NH2+]CC2(C)CC2)[nH]n1 308488485 573066819 /nfs/dbraw/zinc/06/68/19/573066819.db2.gz AVFFTPBIGGQATM-UHFFFAOYSA-N 1 0 193.294 1.862 20 0 ADADRO C/C=C/[NH2+]C(C)(C)C 104608649 573067145 /nfs/dbraw/zinc/06/71/45/573067145.db2.gz DWNKWLDUVCHXTD-AATRIKPKSA-N 1 0 113.204 1.908 20 0 ADADRO CC[NH2+]CC(=O)Nc1ccsc1 85535152 573067155 /nfs/dbraw/zinc/06/71/55/573067155.db2.gz RKWXFPWNLPXIFE-UHFFFAOYSA-N 1 0 184.264 1.296 20 0 ADADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H](C)O 308246847 573067229 /nfs/dbraw/zinc/06/72/29/573067229.db2.gz WQTDELNUGYKZGT-DBIOUOCHSA-N 1 0 185.311 1.924 20 0 ADADRO CCC(CC)C[N@H+](C)C[C@@H](C)N 128552476 573067425 /nfs/dbraw/zinc/06/74/25/573067425.db2.gz QFTODJBHNAVUAP-SECBINFHSA-N 1 0 172.316 1.702 20 0 ADADRO CCC[N@H+](CC)CN1CCCC1=O 308247129 573067578 /nfs/dbraw/zinc/06/75/78/573067578.db2.gz XCNCGTIFDALMPS-UHFFFAOYSA-N 1 0 184.283 1.298 20 0 ADADRO CCN(C(=O)[C@@H]([NH3+])CC1CC1)C(C)C 308494403 573068379 /nfs/dbraw/zinc/06/83/79/573068379.db2.gz SGIQTOLYNNMXMM-JTQLQIEISA-N 1 0 198.310 1.371 20 0 ADADRO Cc1ccc(C[NH2+][C@@H](CO)C2CC2)o1 393656600 573068414 /nfs/dbraw/zinc/06/84/14/573068414.db2.gz IXIZMKCPCCSLPG-NSHDSACASA-N 1 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182.267 1.700 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]CCOC1CCC1 308252794 573085303 /nfs/dbraw/zinc/08/53/03/573085303.db2.gz IQUHVIOLZWJLFG-VHSXEESVSA-N 1 0 183.295 1.801 20 0 ADADRO COC(=O)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1C 308497715 573085335 /nfs/dbraw/zinc/08/53/35/573085335.db2.gz DXDPFZBJZJVFFK-IUCAKERBSA-N 1 0 199.294 1.574 20 0 ADADRO CCCCCC[N@H+](CC)CCO 49754174 573085364 /nfs/dbraw/zinc/08/53/64/573085364.db2.gz RHNULYBUACKYBH-UHFFFAOYSA-N 1 0 173.300 1.881 20 0 ADADRO COC[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 308252612 573085377 /nfs/dbraw/zinc/08/53/77/573085377.db2.gz GPKXRTHRQVZLHD-DTWKUNHWSA-N 1 0 182.267 1.700 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]CCOC1CCC1 308252793 573086187 /nfs/dbraw/zinc/08/61/87/573086187.db2.gz IQUHVIOLZWJLFG-UWVGGRQHSA-N 1 0 183.295 1.801 20 0 ADADRO C[C@]([NH3+])(CCO)c1ccccc1 82522677 573086592 /nfs/dbraw/zinc/08/65/92/573086592.db2.gz AKHRGCMDADTQRY-JTQLQIEISA-N 1 0 165.236 1.243 20 0 ADADRO CC[C@H](C)C[N@@H+]1CC[C@H](CO)[C@H]1C 308252960 573086642 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ADADRO CC(C)c1oncc1C[NH3+] 82631509 573135482 /nfs/dbraw/zinc/13/54/82/573135482.db2.gz CWJDRUNASHEDBO-UHFFFAOYSA-N 1 0 140.186 1.257 20 0 ADADRO C=Cc1ccccc1[C@@H](N)C(C)=O 104660492 573135883 /nfs/dbraw/zinc/13/58/83/573135883.db2.gz QOBNBWZORZMWDM-NSHDSACASA-N 1 0 175.231 1.918 20 0 ADADRO C=Cc1cccc([C@@H](N)C(C)=O)c1 104660503 573136016 /nfs/dbraw/zinc/13/60/16/573136016.db2.gz SYRGFCJSULJMEJ-NSHDSACASA-N 1 0 175.231 1.918 20 0 ADADRO Cc1nc(Cl)sc1C[NH3+] 82632580 573137259 /nfs/dbraw/zinc/13/72/59/573137259.db2.gz MRPXTUMOUDKUIK-UHFFFAOYSA-N 1 0 162.645 1.564 20 0 ADADRO CCC(CC)[C@@H]1C[NH2+]C[C@H]1O 114913484 573138106 /nfs/dbraw/zinc/13/81/06/573138106.db2.gz PDQDCPLHPIACMT-DTWKUNHWSA-N 1 0 157.257 1.003 20 0 ADADRO C[C@@H](O)C[NH2+]CCCC(F)F 688715662 573138409 /nfs/dbraw/zinc/13/84/09/573138409.db2.gz YFWFBINICTUZPA-ZCFIWIBFSA-N 1 0 167.199 1.002 20 0 ADADRO CC(=O)[C@H](N)c1ccc(C)cc1C 104660476 573138657 /nfs/dbraw/zinc/13/86/57/573138657.db2.gz ZSMNOLCZCUVZPS-NSHDSACASA-N 1 0 177.247 1.892 20 0 ADADRO CC(=O)[C@H](N)c1cccc(C)c1C 104660470 573139155 /nfs/dbraw/zinc/13/91/55/573139155.db2.gz XSNMNUNUJZCEGT-NSHDSACASA-N 1 0 177.247 1.892 20 0 ADADRO C[C@@H]1CCN(C(=O)CCCCC[NH3+])C1 40724576 573140013 /nfs/dbraw/zinc/14/00/13/573140013.db2.gz RGGQKEFNTBOZMU-SNVBAGLBSA-N 1 0 198.310 1.374 20 0 ADADRO CC(=O)[C@@H](N)c1ccc(C)cc1C 104660474 573140027 /nfs/dbraw/zinc/14/00/27/573140027.db2.gz ZSMNOLCZCUVZPS-LLVKDONJSA-N 1 0 177.247 1.892 20 0 ADADRO CC(=O)[C@H](N)c1cc(C)cc(F)c1 104660485 573140077 /nfs/dbraw/zinc/14/00/77/573140077.db2.gz BHWVBQMVTBDDIO-JTQLQIEISA-N 1 0 181.210 1.723 20 0 ADADRO CCC(CC)[C@@H]1C[NH2+]C[C@@H]1O 114913482 573140101 /nfs/dbraw/zinc/14/01/01/573140101.db2.gz PDQDCPLHPIACMT-IUCAKERBSA-N 1 0 157.257 1.003 20 0 ADADRO C=Cc1cccc([C@H](N)C(C)=O)c1 104660506 573140105 /nfs/dbraw/zinc/14/01/05/573140105.db2.gz SYRGFCJSULJMEJ-LLVKDONJSA-N 1 0 175.231 1.918 20 0 ADADRO C=Cc1ccccc1[C@H](N)C(C)=O 104660496 573140131 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ADADRO C[C@@H](CCO)[NH2+]CCCC(F)F 688716118 573142419 /nfs/dbraw/zinc/14/24/19/573142419.db2.gz VPVKACHEHQWZJB-ZETCQYMHSA-N 1 0 181.226 1.392 20 0 ADADRO CCc1ccc2c(c1)OC[C@@H]2[NH3+] 104664773 573143936 /nfs/dbraw/zinc/14/39/36/573143936.db2.gz GERWWERJRSAIAO-VIFPVBQESA-N 1 0 163.220 1.641 20 0 ADADRO CCc1ccccc1[C@H]([NH3+])[C@H](C)O 104665563 573143968 /nfs/dbraw/zinc/14/39/68/573143968.db2.gz JSMGPFUDSSMWIF-GZMMTYOYSA-N 1 0 179.263 1.630 20 0 ADADRO C[N@H+](Cc1cn[nH]c1)C[Si](C)(C)C 308277001 573144098 /nfs/dbraw/zinc/14/40/98/573144098.db2.gz WDOOLWWSGWWUTI-UHFFFAOYSA-N 1 0 197.358 1.719 20 0 ADADRO C[C@H](CCO)[NH2+]CCCC(F)F 688716117 573144190 /nfs/dbraw/zinc/14/41/90/573144190.db2.gz VPVKACHEHQWZJB-SSDOTTSWSA-N 1 0 181.226 1.392 20 0 ADADRO CC(C)C([NH2+]Cc1nnc[nH]1)C(C)C 308502825 573144215 /nfs/dbraw/zinc/14/42/15/573144215.db2.gz XJSHENXWHVYUMC-UHFFFAOYSA-N 1 0 196.298 1.575 20 0 ADADRO CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C1 40724793 573146032 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CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C1 40724795 573147796 /nfs/dbraw/zinc/14/77/96/573147796.db2.gz CNZGABIFUKJDCA-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC1CC1 308504419 573147923 /nfs/dbraw/zinc/14/79/23/573147923.db2.gz CRBXAZWSGYMWRH-VHSXEESVSA-N 1 0 196.294 1.030 20 0 ADADRO CCC[C@H](O)C[NH2+][C@H]1CC[C@H]1C1CC1 308504645 573148547 /nfs/dbraw/zinc/14/85/47/573148547.db2.gz IDELOSZFAABNFH-SRVKXCTJSA-N 1 0 197.322 1.926 20 0 ADADRO CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)C1 40724789 573148584 /nfs/dbraw/zinc/14/85/84/573148584.db2.gz CNZGABIFUKJDCA-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 308504418 573148602 /nfs/dbraw/zinc/14/86/02/573148602.db2.gz CRBXAZWSGYMWRH-UWVGGRQHSA-N 1 0 196.294 1.030 20 0 ADADRO OC1CCC([NH2+]C/C=C/C2CC2)CC1 393504108 573148698 /nfs/dbraw/zinc/14/86/98/573148698.db2.gz UQNBGZVVAUHWRC-OWOJBTEDSA-N 1 0 195.306 1.846 20 0 ADADRO CC(C)CCN[C@@]1(C)CCOC1=O 308287867 573148701 /nfs/dbraw/zinc/14/87/01/573148701.db2.gz ZWNGIXGXMFYCPZ-JTQLQIEISA-N 1 0 185.267 1.328 20 0 ADADRO CCC[C@H](O)C[NH2+][C@@H]1CC[C@H]1C1CC1 308504643 573149048 /nfs/dbraw/zinc/14/90/48/573149048.db2.gz IDELOSZFAABNFH-SDDRHHMPSA-N 1 0 197.322 1.926 20 0 ADADRO C1CO[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 308504595 573149168 /nfs/dbraw/zinc/14/91/68/573149168.db2.gz ICJMBDGSHDMGNV-SDDRHHMPSA-N 1 0 195.306 1.944 20 0 ADADRO COC(=O)C1CCC([C@@H](C)[NH3+])CC1 114976842 573149355 /nfs/dbraw/zinc/14/93/55/573149355.db2.gz ZPLFLHNJAYZKFG-AFPNSQJFSA-N 1 0 185.267 1.313 20 0 ADADRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 308504416 573149552 /nfs/dbraw/zinc/14/95/52/573149552.db2.gz CRBXAZWSGYMWRH-NXEZZACHSA-N 1 0 196.294 1.030 20 0 ADADRO C1CO[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 308504599 573150178 /nfs/dbraw/zinc/15/01/78/573150178.db2.gz ICJMBDGSHDMGNV-TUAOUCFPSA-N 1 0 195.306 1.944 20 0 ADADRO CC[C@H]([NH3+])c1c(F)cncc1F 104668578 573150380 /nfs/dbraw/zinc/15/03/80/573150380.db2.gz JNYOBOZJGRWFQC-ZETCQYMHSA-N 1 0 172.178 1.770 20 0 ADADRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 308504420 573150436 /nfs/dbraw/zinc/15/04/36/573150436.db2.gz CRBXAZWSGYMWRH-ZJUUUORDSA-N 1 0 196.294 1.030 20 0 ADADRO C[C@H]([NH3+])c1cnc2[nH]ccc2c1 104669024 573151375 /nfs/dbraw/zinc/15/13/75/573151375.db2.gz ZEFLISYWTYQYTC-LURJTMIESA-N 1 0 161.208 1.583 20 0 ADADRO CC1(C)CN(C(=O)C[NH2+]C(C)(C)C)C1 308504707 573151806 /nfs/dbraw/zinc/15/18/06/573151806.db2.gz IERKHVBMKVCMKG-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO COC1CC([NH2+]CCCC(F)F)C1 688735720 573151890 /nfs/dbraw/zinc/15/18/90/573151890.db2.gz QAXLULJPWJLVGB-UHFFFAOYSA-N 1 0 193.237 1.799 20 0 ADADRO C=Cc1cccc([C@H]([NH3+])[C@H](C)O)c1 104668846 573152316 /nfs/dbraw/zinc/15/23/16/573152316.db2.gz QFUOVKAIYILMGF-GZMMTYOYSA-N 1 0 177.247 1.710 20 0 ADADRO C=Cc1ccccc1[C@H]([NH3+])[C@H](C)O 104668844 573152406 /nfs/dbraw/zinc/15/24/06/573152406.db2.gz FTYJNULGKZXDNB-GZMMTYOYSA-N 1 0 177.247 1.710 20 0 ADADRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ncc[nH]1 308506629 573152899 /nfs/dbraw/zinc/15/28/99/573152899.db2.gz IZFLUYSCDLTYLE-DTWKUNHWSA-N 1 0 197.282 1.077 20 0 ADADRO CC[C@@H]([NH3+])c1c(F)cncc1F 104668581 573153224 /nfs/dbraw/zinc/15/32/24/573153224.db2.gz JNYOBOZJGRWFQC-SSDOTTSWSA-N 1 0 172.178 1.770 20 0 ADADRO CC(C)CC[NH2+]C1CCN(C=O)CC1 308506990 573153190 /nfs/dbraw/zinc/15/31/90/573153190.db2.gz JCOJGNSNMKPFLZ-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ncc[nH]1 308506632 573153308 /nfs/dbraw/zinc/15/33/08/573153308.db2.gz IZFLUYSCDLTYLE-IUCAKERBSA-N 1 0 197.282 1.077 20 0 ADADRO [NH3+][C@@H](c1c(F)cncc1F)C1CC1 104668587 573153495 /nfs/dbraw/zinc/15/34/95/573153495.db2.gz GJACGOWGNQVPPX-SECBINFHSA-N 1 0 184.189 1.770 20 0 ADADRO CNC(=O)CCC[NH2+]CCC(C)C 82671807 573154346 /nfs/dbraw/zinc/15/43/46/573154346.db2.gz PCHCSCREBGBAFY-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO Fc1cncc(F)c1[C@@H]1CCC[NH2+]1 104669297 573156027 /nfs/dbraw/zinc/15/60/27/573156027.db2.gz XTLYYKRITNPJGU-QMMMGPOBSA-N 1 0 184.189 1.784 20 0 ADADRO CC(=O)NCCC[NH2+]CC1CCCC1 308506387 573156451 /nfs/dbraw/zinc/15/64/51/573156451.db2.gz IVROVFBJQGZRLJ-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ncc[nH]1 308506636 573157368 /nfs/dbraw/zinc/15/73/68/573157368.db2.gz IZFLUYSCDLTYLE-RKDXNWHRSA-N 1 0 197.282 1.077 20 0 ADADRO Cc1ccc2c(c1)OC[C@H]2[NH3+] 82707538 573157499 /nfs/dbraw/zinc/15/74/99/573157499.db2.gz WJAHXDJJUGSXIA-MRVPVSSYSA-N 1 0 149.193 1.387 20 0 ADADRO Fc1cncc(F)c1[C@H]1CCC[NH2+]1 104669302 573157710 /nfs/dbraw/zinc/15/77/10/573157710.db2.gz XTLYYKRITNPJGU-MRVPVSSYSA-N 1 0 184.189 1.784 20 0 ADADRO CCc1ccccc1[C@H]([NH3+])[C@@H](C)O 104672029 573157801 /nfs/dbraw/zinc/15/78/01/573157801.db2.gz JSMGPFUDSSMWIF-LDYMZIIASA-N 1 0 179.263 1.630 20 0 ADADRO CSc1ccc2c(c1)OC[C@@H]2[NH3+] 104669711 573157888 /nfs/dbraw/zinc/15/78/88/573157888.db2.gz IRILIZGMAOTYIM-QMMMGPOBSA-N 1 0 181.260 1.801 20 0 ADADRO Cc1cc(C[NH3+])nc(CC(C)(C)C)n1 82675011 573157904 /nfs/dbraw/zinc/15/79/04/573157904.db2.gz MQQIBFZMOPMGKE-UHFFFAOYSA-N 1 0 193.294 1.832 20 0 ADADRO Cc1cc2c(cc1F)OCC[C@H]2[NH3+] 104670435 573158380 /nfs/dbraw/zinc/15/83/80/573158380.db2.gz NILXMEHNSZWRCD-SECBINFHSA-N 1 0 181.210 1.916 20 0 ADADRO CC(C)(C)Cc1nccc(C[NH3+])n1 82675002 573159403 /nfs/dbraw/zinc/15/94/03/573159403.db2.gz KCZBFJPHUZATOZ-UHFFFAOYSA-N 1 0 179.267 1.524 20 0 ADADRO Cc1cc2c(cc1F)[C@@H]([NH3+])CCO2 104669718 573160560 /nfs/dbraw/zinc/16/05/60/573160560.db2.gz CCLSQDJKHHUSKT-VIFPVBQESA-N 1 0 181.210 1.916 20 0 ADADRO CCc1ccccc1[C@@H]([NH3+])[C@H](C)O 104670119 573160708 /nfs/dbraw/zinc/16/07/08/573160708.db2.gz JSMGPFUDSSMWIF-KWQFWETISA-N 1 0 179.263 1.630 20 0 ADADRO Fc1cc(F)cc([C@H]2CC[NH2+]2)c1 82707508 573160974 /nfs/dbraw/zinc/16/09/74/573160974.db2.gz MRVUQBYSZWTLLA-SECBINFHSA-N 1 0 169.174 1.999 20 0 ADADRO Fc1cc(F)cc([C@@H]2CC[NH2+]2)c1 82707507 573161168 /nfs/dbraw/zinc/16/11/68/573161168.db2.gz MRVUQBYSZWTLLA-VIFPVBQESA-N 1 0 169.174 1.999 20 0 in-vitro ADADRO CC[NH2+][C@H](C)C1(OC)CCCC1 128905226 573161977 /nfs/dbraw/zinc/16/19/77/573161977.db2.gz KITVEIJECLKJLF-SECBINFHSA-N 1 0 171.284 1.944 20 0 ADADRO CC[C@@H]1CC[C@@H](C)C[NH2+]1 82707754 573163519 /nfs/dbraw/zinc/16/35/19/573163519.db2.gz GNXGHNXLUPRSCR-HTQZYQBOSA-N 1 0 127.231 1.785 20 0 ADADRO CC(C)N(C)C(=O)[C@H]1CCCCC[NH2+]1 82737771 573163596 /nfs/dbraw/zinc/16/35/96/573163596.db2.gz CDFWJZYKDPONLW-SNVBAGLBSA-N 1 0 198.310 1.385 20 0 ADADRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCC1 308512257 573164687 /nfs/dbraw/zinc/16/46/87/573164687.db2.gz SSQZYLWSGJQXIO-WCBMZHEXSA-N 1 0 196.294 1.186 20 0 ADADRO C=Cc1cccc([C@@H]([NH3+])[C@@H](C)O)c1 104672774 573165860 /nfs/dbraw/zinc/16/58/60/573165860.db2.gz QFUOVKAIYILMGF-KCJUWKMLSA-N 1 0 177.247 1.710 20 0 ADADRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCC1 308512256 573165993 /nfs/dbraw/zinc/16/59/93/573165993.db2.gz SSQZYLWSGJQXIO-SCZZXKLOSA-N 1 0 196.294 1.186 20 0 ADADRO C=Cc1ccccc1[C@@H]([NH3+])[C@@H](C)O 104672765 573166182 /nfs/dbraw/zinc/16/61/82/573166182.db2.gz FTYJNULGKZXDNB-KCJUWKMLSA-N 1 0 177.247 1.710 20 0 ADADRO CC[C@@H]1CC[C@H](C)C[NH2+]1 82707752 573167579 /nfs/dbraw/zinc/16/75/79/573167579.db2.gz GNXGHNXLUPRSCR-JGVFFNPUSA-N 1 0 127.231 1.785 20 0 ADADRO C=Cc1cccc([C@H]([NH3+])[C@@H](C)O)c1 104672778 573167736 /nfs/dbraw/zinc/16/77/36/573167736.db2.gz QFUOVKAIYILMGF-LDYMZIIASA-N 1 0 177.247 1.710 20 0 ADADRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCC1 308512258 573167756 /nfs/dbraw/zinc/16/77/56/573167756.db2.gz SSQZYLWSGJQXIO-WPRPVWTQSA-N 1 0 196.294 1.186 20 0 ADADRO COC(=O)C1(C[NH2+]CCC(C)C)CC1 258561946 573167941 /nfs/dbraw/zinc/16/79/41/573167941.db2.gz BXBHUOIFCNCNPZ-UHFFFAOYSA-N 1 0 199.294 1.575 20 0 ADADRO C=Cc1ccccc1[C@H]([NH3+])[C@@H](C)O 104672768 573168783 /nfs/dbraw/zinc/16/87/83/573168783.db2.gz FTYJNULGKZXDNB-LDYMZIIASA-N 1 0 177.247 1.710 20 0 ADADRO CC[C@@H](C)C[NH2+][C@@H](CCO)C1CC1 128990529 573169725 /nfs/dbraw/zinc/16/97/25/573169725.db2.gz FGEDZEKMXIHBQY-KOLCDFICSA-N 1 0 185.311 1.783 20 0 ADADRO OCC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 308508931 573169746 /nfs/dbraw/zinc/16/97/46/573169746.db2.gz HZPYRMHUOYUQCA-GHMZBOCLSA-N 1 0 195.306 1.537 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H](CCO)C1CC1 128990937 573169978 /nfs/dbraw/zinc/16/99/78/573169978.db2.gz FGEDZEKMXIHBQY-MWLCHTKSSA-N 1 0 185.311 1.783 20 0 ADADRO CC[C@H](C)C[NH2+][C@H](CCO)C1CC1 128991121 573170230 /nfs/dbraw/zinc/17/02/30/573170230.db2.gz FGEDZEKMXIHBQY-GXSJLCMTSA-N 1 0 185.311 1.783 20 0 ADADRO OCC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 308508932 573170303 /nfs/dbraw/zinc/17/03/03/573170303.db2.gz HZPYRMHUOYUQCA-MNOVXSKESA-N 1 0 195.306 1.537 20 0 ADADRO COc1cc2c(cc1C)OCC[C@H]2[NH3+] 104675562 573171172 /nfs/dbraw/zinc/17/11/72/573171172.db2.gz JCXIOPSEMHSFCS-SECBINFHSA-N 1 0 193.246 1.786 20 0 ADADRO OCC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 308508933 573171177 /nfs/dbraw/zinc/17/11/77/573171177.db2.gz HZPYRMHUOYUQCA-QWRGUYRKSA-N 1 0 195.306 1.537 20 0 ADADRO COc1cc2c(cc1C)OCC[C@@H]2[NH3+] 104675565 573172345 /nfs/dbraw/zinc/17/23/45/573172345.db2.gz JCXIOPSEMHSFCS-VIFPVBQESA-N 1 0 193.246 1.786 20 0 ADADRO CC(C)C(=O)N(C)C1CCC([NH3+])CC1 85869510 573172688 /nfs/dbraw/zinc/17/26/88/573172688.db2.gz LYBLFJCVCINCHP-UHFFFAOYSA-N 1 0 198.310 1.371 20 0 ADADRO CCOC1(C)CC[NH+](CCF)CC1 308291420 573173646 /nfs/dbraw/zinc/17/36/46/573173646.db2.gz IWTCVDDHKLRMTB-UHFFFAOYSA-N 1 0 189.274 1.847 20 0 ADADRO OCC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 308508934 573173682 /nfs/dbraw/zinc/17/36/82/573173682.db2.gz HZPYRMHUOYUQCA-WDEREUQCSA-N 1 0 195.306 1.537 20 0 ADADRO C1=C[C@H]([NH2+]CC2=CCCOC2)CC1 642858602 573174824 /nfs/dbraw/zinc/17/48/24/573174824.db2.gz IYXAHXOITIBLTM-NSHDSACASA-N 1 0 179.263 1.641 20 0 ADADRO CCC(=O)N(C)C1CCC([NH3+])CC1 85869539 573175030 /nfs/dbraw/zinc/17/50/30/573175030.db2.gz IJULHWQANRWRFK-UHFFFAOYSA-N 1 0 184.283 1.125 20 0 ADADRO CC[C@@H]1Oc2c(OC)cccc2[C@H]1[NH3+] 82759604 573175142 /nfs/dbraw/zinc/17/51/42/573175142.db2.gz PGRIEBALUAFTIC-WCBMZHEXSA-N 1 0 193.246 1.866 20 0 ADADRO CN(C(=O)C1CC1)C1CCC([NH3+])CC1 85869514 573175146 /nfs/dbraw/zinc/17/51/46/573175146.db2.gz FMOLFLLCHKRSND-UHFFFAOYSA-N 1 0 196.294 1.125 20 0 ADADRO CC[C@H]1Oc2c(OC)cccc2[C@@H]1[NH3+] 82759605 573175370 /nfs/dbraw/zinc/17/53/70/573175370.db2.gz PGRIEBALUAFTIC-SCZZXKLOSA-N 1 0 193.246 1.866 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+][C@H](CO)C1CC1 308292370 573175397 /nfs/dbraw/zinc/17/53/97/573175397.db2.gz HYODSGAAAGISDB-ATZCPNFKSA-N 1 0 185.311 1.782 20 0 ADADRO C[NH+](C)CCCNc1cccc(F)n1 40711957 573175412 /nfs/dbraw/zinc/17/54/12/573175412.db2.gz TWTVUHDSZYEUOU-UHFFFAOYSA-N 1 0 197.257 1.584 20 0 ADADRO CC[C@@H]1Oc2ccc(OC)cc2[C@@H]1[NH3+] 82759702 573175502 /nfs/dbraw/zinc/17/55/02/573175502.db2.gz WAVDYDWBUADGHZ-ONGXEEELSA-N 1 0 193.246 1.866 20 0 ADADRO CC[C@@H]1Oc2ccc(F)cc2[C@@H]1[NH3+] 82759730 573175780 /nfs/dbraw/zinc/17/57/80/573175780.db2.gz KBBDMBBOMUBVQH-WPRPVWTQSA-N 1 0 181.210 1.997 20 0 ADADRO CC1(C[NH+]2CCCCCC2)COC1 306552884 573175860 /nfs/dbraw/zinc/17/58/60/573175860.db2.gz AXSQTFRABQCRFM-UHFFFAOYSA-N 1 0 183.295 1.899 20 0 ADADRO CC[C@H]1Oc2ccc(F)cc2[C@@H]1[NH3+] 82759729 573175909 /nfs/dbraw/zinc/17/59/09/573175909.db2.gz KBBDMBBOMUBVQH-SCZZXKLOSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@@H]1Oc2c(F)cccc2[C@@H]1[NH3+] 82759618 573175932 /nfs/dbraw/zinc/17/59/32/573175932.db2.gz LNUKRWBSISUEDP-IUCAKERBSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1ccc(F)nc1 308509558 573175982 /nfs/dbraw/zinc/17/59/82/573175982.db2.gz KJJWKXIJVPVHRU-VIFPVBQESA-N 1 0 198.241 1.081 20 0 ADADRO CC[N@H+](CCC(=O)C1CC1)C1CC1 308294191 573175990 /nfs/dbraw/zinc/17/59/90/573175990.db2.gz JBTUOKKTQZQYEV-UHFFFAOYSA-N 1 0 181.279 1.840 20 0 ADADRO CC[C@@H]1Oc2ccccc2[C@@H]1[NH3+] 82759682 573176530 /nfs/dbraw/zinc/17/65/30/573176530.db2.gz NDKLGTVVYKEUDT-WPRPVWTQSA-N 1 0 163.220 1.857 20 0 ADADRO CC[C@@H]1Oc2ccccc2[C@H]1[NH3+] 82759680 573176908 /nfs/dbraw/zinc/17/69/08/573176908.db2.gz NDKLGTVVYKEUDT-WCBMZHEXSA-N 1 0 163.220 1.857 20 0 ADADRO CC[C@H]1Oc2c(F)cccc2[C@H]1[NH3+] 82759615 573177506 /nfs/dbraw/zinc/17/75/06/573177506.db2.gz LNUKRWBSISUEDP-RKDXNWHRSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@@H]1Oc2c(F)cccc2[C@H]1[NH3+] 82759616 573177947 /nfs/dbraw/zinc/17/79/47/573177947.db2.gz LNUKRWBSISUEDP-DTWKUNHWSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@H]1Oc2ccc(F)cc2[C@H]1[NH3+] 82759727 573178069 /nfs/dbraw/zinc/17/80/69/573178069.db2.gz KBBDMBBOMUBVQH-PSASIEDQSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@H]1Oc2c(F)cccc2[C@@H]1[NH3+] 82759617 573178079 /nfs/dbraw/zinc/17/80/79/573178079.db2.gz LNUKRWBSISUEDP-BDAKNGLRSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@H]1Oc2ccccc2[C@H]1[NH3+] 82759679 573178245 /nfs/dbraw/zinc/17/82/45/573178245.db2.gz NDKLGTVVYKEUDT-PSASIEDQSA-N 1 0 163.220 1.857 20 0 ADADRO CC[C@H]1Oc2c(OC)cccc2[C@H]1[NH3+] 82759603 573178274 /nfs/dbraw/zinc/17/82/74/573178274.db2.gz PGRIEBALUAFTIC-PSASIEDQSA-N 1 0 193.246 1.866 20 0 ADADRO CC[C@H]1Oc2ccccc2[C@@H]1[NH3+] 82759681 573179123 /nfs/dbraw/zinc/17/91/23/573179123.db2.gz NDKLGTVVYKEUDT-SCZZXKLOSA-N 1 0 163.220 1.857 20 0 ADADRO CC[C@H]1Oc2ccc(OC)cc2[C@@H]1[NH3+] 82759701 573179160 /nfs/dbraw/zinc/17/91/60/573179160.db2.gz WAVDYDWBUADGHZ-KOLCDFICSA-N 1 0 193.246 1.866 20 0 ADADRO CC[C@@H]1Oc2ccc(F)cc2[C@H]1[NH3+] 82759728 573179418 /nfs/dbraw/zinc/17/94/18/573179418.db2.gz KBBDMBBOMUBVQH-WCBMZHEXSA-N 1 0 181.210 1.997 20 0 ADADRO CC[C@@H]1Oc2ccc(OC)cc2[C@H]1[NH3+] 82759700 573179598 /nfs/dbraw/zinc/17/95/98/573179598.db2.gz WAVDYDWBUADGHZ-GXSJLCMTSA-N 1 0 193.246 1.866 20 0 ADADRO CC[C@@H]1Oc2c(OC)cccc2[C@@H]1[NH3+] 82759606 573179744 /nfs/dbraw/zinc/17/97/44/573179744.db2.gz PGRIEBALUAFTIC-WPRPVWTQSA-N 1 0 193.246 1.866 20 0 ADADRO CC[C@H]1Oc2ccc(OC)cc2[C@H]1[NH3+] 82759699 573179840 /nfs/dbraw/zinc/17/98/40/573179840.db2.gz WAVDYDWBUADGHZ-MWLCHTKSSA-N 1 0 193.246 1.866 20 0 ADADRO CC[N@H+](Cc1cc(C)n[nH]1)C(C)C 308293119 573179950 /nfs/dbraw/zinc/17/99/50/573179950.db2.gz IMMDIUDTCNRZID-UHFFFAOYSA-N 1 0 181.283 1.948 20 0 ADADRO C[C@H]1C[C@H](C)[N@H+](CCCCCO)C1 125834635 573180702 /nfs/dbraw/zinc/18/07/02/573180702.db2.gz KGLITLQBQJIZCQ-QWRGUYRKSA-N 1 0 185.311 1.879 20 0 ADADRO CO[C@H](C[NH2+]CC1CC1)C(F)(F)F 308295150 573181909 /nfs/dbraw/zinc/18/19/09/573181909.db2.gz HSSRXBFAJTVHJA-SSDOTTSWSA-N 1 0 197.200 1.563 20 0 ADADRO C1CC([NH2+]CC2(C3CC3)CC2)CCO1 125836068 573181936 /nfs/dbraw/zinc/18/19/36/573181936.db2.gz UIIQMFHWNOXBBB-UHFFFAOYSA-N 1 0 195.306 1.945 20 0 ADADRO C[C@@]1(NCCC2CC2)CCOC1=O 308295044 573182516 /nfs/dbraw/zinc/18/25/16/573182516.db2.gz JOPUTXXSZXGLFS-SNVBAGLBSA-N 1 0 183.251 1.082 20 0 ADADRO CC(C)([NH3+])CC(=O)Nc1nccs1 82771451 573185200 /nfs/dbraw/zinc/18/52/00/573185200.db2.gz MELYEWQSILSUEY-UHFFFAOYSA-N 1 0 199.279 1.209 20 0 ADADRO CC(C)([NH3+])CC(=O)N[C@H]1CC1(C)C 82772421 573185757 /nfs/dbraw/zinc/18/57/57/573185757.db2.gz SDDJBNHTJVFPDC-ZETCQYMHSA-N 1 0 184.283 1.029 20 0 ADADRO OC[C@H]([NH2+]CCC1CCCC1)C1CC1 308514533 573186461 /nfs/dbraw/zinc/18/64/61/573186461.db2.gz MJGGOICEHZLOPL-LBPRGKRZSA-N 1 0 197.322 1.927 20 0 ADADRO OC[C@@H]([NH2+]CCC1CCCC1)C1CC1 308514532 573187598 /nfs/dbraw/zinc/18/75/98/573187598.db2.gz MJGGOICEHZLOPL-GFCCVEGCSA-N 1 0 197.322 1.927 20 0 ADADRO CCC/C(C)=C\C(=O)N[C@H](C)C[NH3+] 393659165 573187932 /nfs/dbraw/zinc/18/79/32/573187932.db2.gz OKVAVKIOUWBVJZ-JGAIRUGNSA-N 1 0 184.283 1.196 20 0 ADADRO NC(=O)C1([NH2+]CC2CCC2)CCCC1 308514013 573188015 /nfs/dbraw/zinc/18/80/15/573188015.db2.gz MCQUZPZRPKIFNI-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO CCC/C(C)=C/C(=O)N[C@H](C)C[NH3+] 393659164 573188279 /nfs/dbraw/zinc/18/82/79/573188279.db2.gz OKVAVKIOUWBVJZ-BNICOGTQSA-N 1 0 184.283 1.196 20 0 ADADRO FCC[NH2+]Cc1cccc2c[nH]nc12 308513914 573188378 /nfs/dbraw/zinc/18/83/78/573188378.db2.gz LYAXVUNSFQABDK-UHFFFAOYSA-N 1 0 193.225 1.622 20 0 ADADRO CC(C)CC[NH2+][C@H](C)c1ncnn1C 308517038 573189929 /nfs/dbraw/zinc/18/99/29/573189929.db2.gz 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CCC[C@H](C)CC(=O)N(C)C1C[NH2+]C1 393622510 573293533 /nfs/dbraw/zinc/29/35/33/573293533.db2.gz UVEPRPBFLRMAEH-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO CCN(C)C(=O)C[C@@H]([NH3+])C(C)(C)C 129452437 573295025 /nfs/dbraw/zinc/29/50/25/573295025.db2.gz CVNZTGNQERVSKU-MRVPVSSYSA-N 1 0 186.299 1.228 20 0 ADADRO CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1CC1 129453088 573297161 /nfs/dbraw/zinc/29/71/61/573297161.db2.gz YKECXALRHSINJL-SECBINFHSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)c1noc(CCC(C)(C)[NH3+])n1 50196443 573297342 /nfs/dbraw/zinc/29/73/42/573297342.db2.gz YUKXIWNNHLVPPL-UHFFFAOYSA-N 1 0 197.282 1.863 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+][C@H](C)Cn1ccnc1 308542159 573297518 /nfs/dbraw/zinc/29/75/18/573297518.db2.gz OHHDEDFTZTZDDT-HBNTYKKESA-N 1 0 193.294 1.660 20 0 ADADRO c1nnc(C2C[NH2+]C2)n1C1CCCC1 86194550 573297604 /nfs/dbraw/zinc/29/76/04/573297604.db2.gz PHWGOQOWNOACDJ-UHFFFAOYSA-N 1 0 192.266 1.080 20 0 ADADRO CC(C)(O)C[NH2+][C@@H]1CC[C@@H]1C1CC1 393559577 573300127 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Cc1ccoc1C[N@@H+](C)[C@@H](C)[C@H](C)O 308587651 573451643 /nfs/dbraw/zinc/45/16/43/573451643.db2.gz SVNVKFTUCMAOJX-UWVGGRQHSA-N 1 0 197.278 1.789 20 0 ADADRO CC(C)C(F)(F)CC[NH3+] 107257932 573451401 /nfs/dbraw/zinc/45/14/01/573451401.db2.gz CWTJFPIRAHOEDZ-UHFFFAOYSA-N 1 0 137.173 1.627 20 0 ADADRO C[C@@H](CN(C)C)[NH2+]C[C@H]1CCC=CO1 130072650 573454322 /nfs/dbraw/zinc/45/43/22/573454322.db2.gz QWFZQTODMUSDMT-WDEREUQCSA-N 1 0 198.310 1.219 20 0 ADADRO CCCc1[nH+]cc2cc(N)ccn12 258367333 573461973 /nfs/dbraw/zinc/46/19/73/573461973.db2.gz SGVOZBLHKIVEKK-UHFFFAOYSA-N 1 0 175.235 1.869 20 0 ADADRO CC[C@H]([NH2+][C@H](CCO)C1CC1)C1CC1 130113671 573466953 /nfs/dbraw/zinc/46/69/53/573466953.db2.gz DKKRPEUTEKUFNK-NWDGAFQWSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1COCCO1 308592823 573466055 /nfs/dbraw/zinc/46/60/55/573466055.db2.gz LBVJMEPFMKCDAN-OUAUKWLOSA-N 1 0 199.294 1.180 20 0 ADADRO [NH3+]CC[C@@H](F)Cc1ccccc1 107274280 573466286 /nfs/dbraw/zinc/46/62/86/573466286.db2.gz MTQGONMFIPZWPI-SNVBAGLBSA-N 1 0 167.227 1.916 20 0 ADADRO CC[C@H]([NH2+][C@@H](CCO)C1CC1)C1CC1 130113224 573466414 /nfs/dbraw/zinc/46/64/14/573466414.db2.gz DKKRPEUTEKUFNK-RYUDHWBXSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H](C)[NH+]1CCC2(CC1)OCCO2 86507038 573466796 /nfs/dbraw/zinc/46/67/96/573466796.db2.gz MDAKFZDSMCTQDU-SNVBAGLBSA-N 1 0 199.294 1.624 20 0 ADADRO [NH3+][C@H](CCO)c1ccc(Cl)nc1 75086418 573475901 /nfs/dbraw/zinc/47/59/01/573475901.db2.gz FZKHDVDTGABUOI-SSDOTTSWSA-N 1 0 186.642 1.117 20 0 ADADRO COCC[NH2+][C@H](C)c1cnn(C)c1C 308585014 573476679 /nfs/dbraw/zinc/47/66/79/573476679.db2.gz LTJCKAJGMJZBRZ-MRVPVSSYSA-N 1 0 197.282 1.026 20 0 ADADRO [NH3+][C@@H](CCO)c1ccc(Cl)nc1 75086420 573477505 /nfs/dbraw/zinc/47/75/05/573477505.db2.gz FZKHDVDTGABUOI-ZETCQYMHSA-N 1 0 186.642 1.117 20 0 ADADRO Cc1n[nH]cc1C[NH2+]C(C)(C)CF 308392558 573477537 /nfs/dbraw/zinc/47/75/37/573477537.db2.gz ZKNBBBIRIVXPMU-UHFFFAOYSA-N 1 0 185.246 1.556 20 0 ADADRO CCCCCN(C)CC[NH2+]C 94249447 573477922 /nfs/dbraw/zinc/47/79/22/573477922.db2.gz NGXHARKQFYURDS-UHFFFAOYSA-N 1 0 158.289 1.328 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc[nH]1 83390675 573479056 /nfs/dbraw/zinc/47/90/56/573479056.db2.gz LUKIGDPINXIQTA-YUMQZZPRSA-N 1 0 180.255 1.083 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc[nH]1 83390674 573478495 /nfs/dbraw/zinc/47/84/95/573478495.db2.gz LUKIGDPINXIQTA-SFYZADRCSA-N 1 0 180.255 1.083 20 0 ADADRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 308596703 573478805 /nfs/dbraw/zinc/47/88/05/573478805.db2.gz MVZGMXQYIFKWDC-CIUDSAMLSA-N 1 0 197.282 1.220 20 0 ADADRO Cc1ccsc1CN(C)C[C@@H](C)[NH3+] 258677593 573481488 /nfs/dbraw/zinc/48/14/88/573481488.db2.gz DLCPKNWFRWELFM-SECBINFHSA-N 1 0 198.335 1.836 20 0 ADADRO CC[C@H](C)NC(=O)CC(C)(C)C[NH3+] 258675698 573481907 /nfs/dbraw/zinc/48/19/07/573481907.db2.gz IAEACOZJQLYTAN-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO COc1ncc(F)cc1[C@@H]([NH3+])C(C)C 238414771 573482449 /nfs/dbraw/zinc/48/24/49/573482449.db2.gz AWEUXCDERMPISJ-VIFPVBQESA-N 1 0 198.241 1.885 20 0 ADADRO CC[C@@H](C)NC(=O)CC(C)(C)C[NH3+] 258675696 573483066 /nfs/dbraw/zinc/48/30/66/573483066.db2.gz IAEACOZJQLYTAN-MRVPVSSYSA-N 1 0 186.299 1.276 20 0 ADADRO Cc1ccsc1CN(C)C[C@H](C)[NH3+] 258677597 573484482 /nfs/dbraw/zinc/48/44/82/573484482.db2.gz DLCPKNWFRWELFM-VIFPVBQESA-N 1 0 198.335 1.836 20 0 ADADRO FC1(F)C[NH2+]CC12CCCC2 257820060 573487352 /nfs/dbraw/zinc/48/73/52/573487352.db2.gz FOQZKZYPJNOEJM-UHFFFAOYSA-N 1 0 161.195 1.785 20 0 ADADRO OCC[C@H]([NH2+]CCC1CC1)C1CC1 308394309 573489765 /nfs/dbraw/zinc/48/97/65/573489765.db2.gz CJKUAAZOANEAGJ-NSHDSACASA-N 1 0 183.295 1.537 20 0 ADADRO COCCN(CC(F)F)C1CCC1 308394498 573492597 /nfs/dbraw/zinc/49/25/97/573492597.db2.gz CNSGEAMMCYLSGJ-UHFFFAOYSA-N 1 0 193.237 1.752 20 0 ADADRO C1COCC[C@]2(C1)CC[NH2+]C2 83426728 573494782 /nfs/dbraw/zinc/49/47/82/573494782.db2.gz HKBAHRPARHKOSU-VIFPVBQESA-N 1 0 155.241 1.167 20 0 ADADRO Cc1cccn2c(N)[nH+]cc12 107308960 573494862 /nfs/dbraw/zinc/49/48/62/573494862.db2.gz CTODKDJPZNAVKB-UHFFFAOYSA-N 1 0 147.181 1.225 20 0 ADADRO C/C=C\C(=O)NC(C)(C)C[NH+](C)C 308608426 573497335 /nfs/dbraw/zinc/49/73/35/573497335.db2.gz RBTZMNHEJOXCSI-SREVYHEPSA-N 1 0 184.283 1.019 20 0 ADADRO C=CC(=O)NC(C)(C)C[NH+]1CCCC1 308607549 573498622 /nfs/dbraw/zinc/49/86/22/573498622.db2.gz OHMORWFPMGZBGD-UHFFFAOYSA-N 1 0 196.294 1.163 20 0 ADADRO C[C@@H]([NH3+])C(=O)NCC(C)(C)C1CCC1 258698547 573498913 /nfs/dbraw/zinc/49/89/13/573498913.db2.gz FHIAEDJKFKJHKF-MRVPVSSYSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)C(C)(C)[NH2+]Cc1cnc[nH]1 393585593 573502096 /nfs/dbraw/zinc/50/20/96/573502096.db2.gz RCTLMQPYRKXKHO-UHFFFAOYSA-N 1 0 181.283 1.934 20 0 ADADRO CC[C@H](CO)[NH2+]CCC1CCCC1 78526278 573511238 /nfs/dbraw/zinc/51/12/38/573511238.db2.gz DBALTMWPENXYLB-LLVKDONJSA-N 1 0 185.311 1.927 20 0 ADADRO c1c[nH]c(C[NH2+]CC2(C3CC3)CC2)n1 125837553 573515338 /nfs/dbraw/zinc/51/53/38/573515338.db2.gz BOXRSOHAORFGPI-UHFFFAOYSA-N 1 0 191.278 1.690 20 0 ADADRO Cn1cc(C[NH2+]C(C)(C)CF)cn1 308400838 573515910 /nfs/dbraw/zinc/51/59/10/573515910.db2.gz IGXAFFMOXNPDHC-UHFFFAOYSA-N 1 0 185.246 1.258 20 0 ADADRO COCC[NH2+][C@H](C)c1cc(C)nn1C 308603342 573516624 /nfs/dbraw/zinc/51/66/24/573516624.db2.gz OXIILSZRMRUWEE-SECBINFHSA-N 1 0 197.282 1.026 20 0 ADADRO OC1(C[NH2+]C2CCC2)CCCC1 83464164 573516813 /nfs/dbraw/zinc/51/68/13/573516813.db2.gz HFBUWWOKPOIHAA-UHFFFAOYSA-N 1 0 169.268 1.434 20 0 ADADRO COCC[NH2+][C@@H](C)c1cc(C)nn1C 308603344 573518077 /nfs/dbraw/zinc/51/80/77/573518077.db2.gz OXIILSZRMRUWEE-VIFPVBQESA-N 1 0 197.282 1.026 20 0 ADADRO CCCC[NH2+]C[C@H](CO)C(C)C 258733955 573518167 /nfs/dbraw/zinc/51/81/67/573518167.db2.gz VNFJFCUTSOKOIQ-SNVBAGLBSA-N 1 0 173.300 1.641 20 0 ADADRO CCCC[NH2+]C[C@@H](CO)C(C)C 258733953 573520336 /nfs/dbraw/zinc/52/03/36/573520336.db2.gz VNFJFCUTSOKOIQ-JTQLQIEISA-N 1 0 173.300 1.641 20 0 ADADRO CC1(C)CC[C@H]([NH2+][C@@H](CO)C2CC2)C1 393666823 573521085 /nfs/dbraw/zinc/52/10/85/573521085.db2.gz LPQYTJKGILUQSK-QWRGUYRKSA-N 1 0 197.322 1.926 20 0 ADADRO COCC1([NH2+]C[C@@H]2CCC=CO2)CC1 308606585 573523120 /nfs/dbraw/zinc/52/31/20/573523120.db2.gz PTFFQWQLJNDJOL-JTQLQIEISA-N 1 0 197.278 1.448 20 0 ADADRO CCc1cc(C[NH2+][C@@H](C)C2CC2)[nH]n1 308613996 573525480 /nfs/dbraw/zinc/52/54/80/573525480.db2.gz RIDBRBQASZLONK-QMMMGPOBSA-N 1 0 193.294 1.860 20 0 ADADRO C(CC1OCCO1)[NH2+]C1(C2CC2)CC1 308605920 573525612 /nfs/dbraw/zinc/52/56/12/573525612.db2.gz BTPIZKHBNNYWAZ-UHFFFAOYSA-N 1 0 197.278 1.282 20 0 ADADRO COCC1([NH2+]C[C@H]2CCC=CO2)CC1 308606588 573526283 /nfs/dbraw/zinc/52/62/83/573526283.db2.gz PTFFQWQLJNDJOL-SNVBAGLBSA-N 1 0 197.278 1.448 20 0 ADADRO CO[C@@H](C)CC[NH2+]Cc1cc(C)n[nH]1 308612577 573526348 /nfs/dbraw/zinc/52/63/48/573526348.db2.gz RBSMDFNHLGZYNA-VIFPVBQESA-N 1 0 197.282 1.233 20 0 ADADRO C/C=C\C(=O)NCCC[NH+](CC)CC 201414389 573529689 /nfs/dbraw/zinc/52/96/89/573529689.db2.gz NUFJWDRKLDFGCH-YWEYNIOJSA-N 1 0 198.310 1.411 20 0 ADADRO CCC(CC)C[NH2+]C[C@H](C)C[NH2+]C 130418545 573535078 /nfs/dbraw/zinc/53/50/78/573535078.db2.gz HPCRNOUHARWPBS-SNVBAGLBSA-N 1 0 186.343 1.868 20 0 ADADRO Cc1cc(C[NH2+]CCC[C@H](C)O)no1 308618550 573539786 /nfs/dbraw/zinc/53/97/86/573539786.db2.gz SNKUSPFLQYGKAO-QMMMGPOBSA-N 1 0 198.266 1.234 20 0 ADADRO Cc1cc(C[NH2+]CCC[C@@H](C)O)no1 308618548 573540927 /nfs/dbraw/zinc/54/09/27/573540927.db2.gz SNKUSPFLQYGKAO-MRVPVSSYSA-N 1 0 198.266 1.234 20 0 ADADRO C1C[NH2+][C@H](CC[C@H]2CCCO2)C1 83531438 573541150 /nfs/dbraw/zinc/54/11/50/573541150.db2.gz XCASMEMPMJZBFR-VHSXEESVSA-N 1 0 169.268 1.698 20 0 ADADRO C1C[NH2+]C[C@@H](CC[C@@H]2CCCO2)C1 83531503 573541318 /nfs/dbraw/zinc/54/13/18/573541318.db2.gz NCHHHWZTVIEAKY-MNOVXSKESA-N 1 0 183.295 1.945 20 0 ADADRO CSC(C)(C)C[NH2+][C@@H]1CCOC1 130307481 573541842 /nfs/dbraw/zinc/54/18/42/573541842.db2.gz QGNPAIGSVLYYTN-MRVPVSSYSA-N 1 0 189.324 1.507 20 0 ADADRO C1C[NH2+][C@@H](CC[C@@H]2CCCO2)C1 83531435 573542874 /nfs/dbraw/zinc/54/28/74/573542874.db2.gz XCASMEMPMJZBFR-ZJUUUORDSA-N 1 0 169.268 1.698 20 0 ADADRO CSC(C)(C)C[NH2+][C@H]1CCOC1 130307673 573542881 /nfs/dbraw/zinc/54/28/81/573542881.db2.gz QGNPAIGSVLYYTN-QMMMGPOBSA-N 1 0 189.324 1.507 20 0 ADADRO C1C[NH2+]C[C@H](CC[C@H]2CCCO2)C1 83531506 573543120 /nfs/dbraw/zinc/54/31/20/573543120.db2.gz NCHHHWZTVIEAKY-WDEREUQCSA-N 1 0 183.295 1.945 20 0 ADADRO C1CO[C@@H](CC[C@H]2CCC[NH2+]C2)C1 83531505 573543448 /nfs/dbraw/zinc/54/34/48/573543448.db2.gz NCHHHWZTVIEAKY-GHMZBOCLSA-N 1 0 183.295 1.945 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]CCN1CC[C@@H](C)C1 393667068 573543479 /nfs/dbraw/zinc/54/34/79/573543479.db2.gz MCAFMXVWCWUMAA-WOPDTQHZSA-N 1 0 196.338 1.574 20 0 ADADRO C1C[NH2+][C@H](CC[C@@H]2CCCO2)C1 83531436 573543700 /nfs/dbraw/zinc/54/37/00/573543700.db2.gz XCASMEMPMJZBFR-UWVGGRQHSA-N 1 0 169.268 1.698 20 0 ADADRO CCc1sc(CC[NH2+]C)nc1C 258770171 573543912 /nfs/dbraw/zinc/54/39/12/573543912.db2.gz LDRRNRZNXUIXTN-UHFFFAOYSA-N 1 0 184.308 1.776 20 0 ADADRO CCn1cc(C[NH2+]C(C)(C)CF)cn1 308611682 573544031 /nfs/dbraw/zinc/54/40/31/573544031.db2.gz QVVJMDVVSXYIAS-UHFFFAOYSA-N 1 0 199.273 1.741 20 0 ADADRO C[C@@H]1CCN(CC[NH2+]C[C@@H]2C[C@H]2C)C1 393667066 573544057 /nfs/dbraw/zinc/54/40/57/573544057.db2.gz MCAFMXVWCWUMAA-UTUOFQBUSA-N 1 0 196.338 1.574 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]CCN1CC[C@@H](C)C1 393667062 573544120 /nfs/dbraw/zinc/54/41/20/573544120.db2.gz MCAFMXVWCWUMAA-GRYCIOLGSA-N 1 0 196.338 1.574 20 0 ADADRO Cn1nncc1C[NH2+]CCC1CCC1 130344288 573547158 /nfs/dbraw/zinc/54/71/58/573547158.db2.gz WQXLYWYXMFJYSU-UHFFFAOYSA-N 1 0 194.282 1.095 20 0 ADADRO Cn1ccc(C[NH2+]CCC2CCC2)n1 130335809 573547986 /nfs/dbraw/zinc/54/79/86/573547986.db2.gz XVOQJANZGGHDAP-UHFFFAOYSA-N 1 0 193.294 1.700 20 0 ADADRO C1CC(CC[NH2+]C2CCOCC2)C1 130338981 573548154 /nfs/dbraw/zinc/54/81/54/573548154.db2.gz MSDCDXDCELHIPL-UHFFFAOYSA-N 1 0 183.295 1.945 20 0 ADADRO Cc1cccc(C)c1[C@H]([NH3+])CCO 95638615 573548837 /nfs/dbraw/zinc/54/88/37/573548837.db2.gz ISJZHUASRJCGKQ-SNVBAGLBSA-N 1 0 179.263 1.686 20 0 ADADRO COC(=O)C[C@H]([NH2+]CC1CC1)C1CC1 308628303 573552911 /nfs/dbraw/zinc/55/29/11/573552911.db2.gz XUCWLKSTMBPOHZ-JTQLQIEISA-N 1 0 197.278 1.328 20 0 ADADRO CN(C)CC(C)(C)[NH2+]C/C=C/Cl 308630126 573550516 /nfs/dbraw/zinc/55/05/16/573550516.db2.gz FMXIQBSRJZAVLG-AATRIKPKSA-N 1 0 190.718 1.669 20 0 ADADRO c1c[nH]c(C[NH2+]CCC2CCC2)n1 130348368 573550689 /nfs/dbraw/zinc/55/06/89/573550689.db2.gz SWRHTTBAJCLDLZ-UHFFFAOYSA-N 1 0 179.267 1.690 20 0 ADADRO CN(C)CC(C)(C)[NH2+]C/C=C\Cl 308630127 573552522 /nfs/dbraw/zinc/55/25/22/573552522.db2.gz FMXIQBSRJZAVLG-WAYWQWQTSA-N 1 0 190.718 1.669 20 0 ADADRO C[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 107395674 573552789 /nfs/dbraw/zinc/55/27/89/573552789.db2.gz HUPVPHDLMKEKNI-BWZBUEFSSA-N 1 0 125.215 1.394 20 0 ADADRO COC(=O)C[C@@H]([NH2+]CC1CC1)C1CC1 308628304 573553637 /nfs/dbraw/zinc/55/36/37/573553637.db2.gz XUCWLKSTMBPOHZ-SNVBAGLBSA-N 1 0 197.278 1.328 20 0 ADADRO c1ncc(C[NH2+]CCC2CCC2)[nH]1 130351752 573553771 /nfs/dbraw/zinc/55/37/71/573553771.db2.gz LVQQFDFTPPHIFG-UHFFFAOYSA-N 1 0 179.267 1.690 20 0 ADADRO C1CC(CC[NH2+][C@@H]2CCOC2)C1 130349872 573554074 /nfs/dbraw/zinc/55/40/74/573554074.db2.gz KFNYSNSJIWRYHV-SNVBAGLBSA-N 1 0 169.268 1.555 20 0 ADADRO C[C@@H]1C[C@@H]2CC[NH2+][C@@H]2C1 107395668 573554454 /nfs/dbraw/zinc/55/44/54/573554454.db2.gz HUPVPHDLMKEKNI-GJMOJQLCSA-N 1 0 125.215 1.394 20 0 ADADRO C1CC(CC[NH2+][C@H]2CCOC2)C1 130350049 573554476 /nfs/dbraw/zinc/55/44/76/573554476.db2.gz KFNYSNSJIWRYHV-JTQLQIEISA-N 1 0 169.268 1.555 20 0 ADADRO CCCC1CCN(C(=O)[C@@H](C)[NH3+])CC1 50906119 573558210 /nfs/dbraw/zinc/55/82/10/573558210.db2.gz HRVRQGDATLUXHH-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ncc[nH]1 687961310 573558788 /nfs/dbraw/zinc/55/87/88/573558788.db2.gz BRHSTEVQAWDVMA-XHNCKOQMSA-N 1 0 195.266 1.095 20 0 ADADRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ncc[nH]1 687961306 573559329 /nfs/dbraw/zinc/55/93/29/573559329.db2.gz BRHSTEVQAWDVMA-VGMNWLOBSA-N 1 0 195.266 1.095 20 0 ADADRO CCCC1CCN(C(=O)C[NH2+]C)CC1 50906228 573559369 /nfs/dbraw/zinc/55/93/69/573559369.db2.gz VAISJRDYNMSVDT-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CO[C@H](C[NH2+]Cc1cnc[nH]1)C(C)C 308621845 573562243 /nfs/dbraw/zinc/56/22/43/573562243.db2.gz UFEOCZFZXNGMPM-SNVBAGLBSA-N 1 0 197.282 1.170 20 0 ADADRO C[N@H+](CCCCCF)C(C)(C)CO 393535849 573561073 /nfs/dbraw/zinc/56/10/73/573561073.db2.gz JFCQEIKUICPGCW-UHFFFAOYSA-N 1 0 191.290 1.829 20 0 ADADRO CCCCNC(=[NH2+])NC1CCC1 393535782 573560779 /nfs/dbraw/zinc/56/07/79/573560779.db2.gz DDRVMRCQXZKYAD-UHFFFAOYSA-N 1 0 169.272 1.453 20 0 ADADRO CC[NH2+][C@H](C)c1ccn(C)n1 83574038 573561455 /nfs/dbraw/zinc/56/14/55/573561455.db2.gz BBNSNGCASPANKS-SSDOTTSWSA-N 1 0 153.229 1.091 20 0 ADADRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ncc[nH]1 687961301 573563968 /nfs/dbraw/zinc/56/39/68/573563968.db2.gz BRHSTEVQAWDVMA-CIUDSAMLSA-N 1 0 195.266 1.095 20 0 ADADRO O[C@H]1CC[N@H+](CCc2cccs2)C1 78643048 573564413 /nfs/dbraw/zinc/56/44/13/573564413.db2.gz KYGPHQNJGFENTK-VIFPVBQESA-N 1 0 197.303 1.357 20 0 ADADRO CO[C@@H](C[NH2+]Cc1cnc[nH]1)C(C)C 308621844 573564913 /nfs/dbraw/zinc/56/49/13/573564913.db2.gz UFEOCZFZXNGMPM-JTQLQIEISA-N 1 0 197.282 1.170 20 0 ADADRO C[C@](O)(C[NH2+]CC1CC1)c1ccco1 308624997 573566553 /nfs/dbraw/zinc/56/65/53/573566553.db2.gz VOGWMNWKNWJHNN-NSHDSACASA-N 1 0 195.262 1.487 20 0 ADADRO CC1CCC([NH3+])(CCO)CC1 83617927 573568089 /nfs/dbraw/zinc/56/80/89/573568089.db2.gz AWEZKIMZVWLYBF-UHFFFAOYSA-N 1 0 157.257 1.276 20 0 ADADRO C[C@@H]1CCC[C@@]([NH3+])(CCO)C1 83617968 573570599 /nfs/dbraw/zinc/57/05/99/573570599.db2.gz HGGDKSXSXKKFHR-RKDXNWHRSA-N 1 0 157.257 1.276 20 0 ADADRO CC1=CC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 75423268 573570826 /nfs/dbraw/zinc/57/08/26/573570826.db2.gz FXRJBSCEKKBHIG-GFCCVEGCSA-N 1 0 194.322 1.638 20 0 ADADRO Cc1ncc(C[NH3+])c(C(F)(F)F)n1 82389843 573571010 /nfs/dbraw/zinc/57/10/10/573571010.db2.gz ADRJFLNSNOEYMC-UHFFFAOYSA-N 1 0 191.156 1.263 20 0 ADADRO C[C@@H]1CCC[C@]([NH3+])(CCO)C1 83617966 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238455791 573594729 /nfs/dbraw/zinc/59/47/29/573594729.db2.gz CQTOCYBCTVVZNP-KCJUWKMLSA-N 1 0 177.247 1.710 20 0 ADADRO CCCCC[C@@H](C[NH3+])OC 78724658 573595425 /nfs/dbraw/zinc/59/54/25/573595425.db2.gz WMAGUWIAHCROKK-QMMMGPOBSA-N 1 0 145.246 1.540 20 0 ADADRO CCCC[C@H](C[NH3+])OCC 78724435 573595570 /nfs/dbraw/zinc/59/55/70/573595570.db2.gz KSVVHDCQQWNYJQ-MRVPVSSYSA-N 1 0 145.246 1.540 20 0 ADADRO Nc1nc(N[C@H]2CC=CCC2)cc[nH+]1 236386242 573595778 /nfs/dbraw/zinc/59/57/78/573595778.db2.gz ZXOSSVQZEXJNIP-QMMMGPOBSA-N 1 0 190.250 1.579 20 0 ADADRO [NH3+]C1CCC(NCC(F)(F)F)CC1 86724177 573596846 /nfs/dbraw/zinc/59/68/46/573596846.db2.gz PELWCMQUUGDYAP-UHFFFAOYSA-N 1 0 196.216 1.408 20 0 ADADRO CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 393540362 573598771 /nfs/dbraw/zinc/59/87/71/573598771.db2.gz XEKRVHHQOCNYIM-LLVKDONJSA-N 1 0 183.295 1.897 20 0 ADADRO Nc1nc(N[C@@H]2CC=CCC2)cc[nH+]1 236386276 573600136 /nfs/dbraw/zinc/60/01/36/573600136.db2.gz ZXOSSVQZEXJNIP-MRVPVSSYSA-N 1 0 190.250 1.579 20 0 ADADRO 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/nfs/dbraw/zinc/75/12/74/486751274.db2.gz QQQDSHJWHVZFDI-UHFFFAOYSA-N 1 0 183.295 1.945 20 0 ADADRO CC[C@@H](C)[NH2+]C[C@H](C)OC 53550212 486751280 /nfs/dbraw/zinc/75/12/80/486751280.db2.gz LRSZGHMUKWSKQP-SFYZADRCSA-N 1 0 145.246 1.409 20 0 ADADRO CC(C)C[N@H+](C)C[C@H]1CCC[C@@H]1O 53882939 486751645 /nfs/dbraw/zinc/75/16/45/486751645.db2.gz ALNWTEQETIVGFP-MNOVXSKESA-N 1 0 185.311 1.735 20 0 ADADRO CCCC[N@H+](C)C[C@H]1CCC[C@@H]1O 53881991 486751749 /nfs/dbraw/zinc/75/17/49/486751749.db2.gz DYSQJDZIJUEEIK-MNOVXSKESA-N 1 0 185.311 1.879 20 0 ADADRO CN(CC[NH2+]C(C)(C)C)CC(F)F 53661267 486751783 /nfs/dbraw/zinc/75/17/83/486751783.db2.gz KFBQNSVKTYFHKX-UHFFFAOYSA-N 1 0 194.269 1.571 20 0 ADADRO CCC[N@H+](C)C[C@H]1CCC[C@@H]1O 53882882 486751838 /nfs/dbraw/zinc/75/18/38/486751838.db2.gz QICZYPNQMUYZOU-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO C[N@H+](CCCCF)CCn1cccn1 671681614 486751839 /nfs/dbraw/zinc/75/18/39/486751839.db2.gz XYKMEOXAGYGPQY-UHFFFAOYSA-N 1 0 199.273 1.565 20 0 ADADRO 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186.299 1.241 20 0 ADADRO CC[C@@H](CO)[NH2+][C@@H](C)C1CCCC1 54077855 486753919 /nfs/dbraw/zinc/75/39/19/486753919.db2.gz FRDDLFZVQSWGJT-ONGXEEELSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@H](CC)NC(=O)[C@H](C)[NH2+]C 54076906 486753951 /nfs/dbraw/zinc/75/39/51/486753951.db2.gz CLKKJGLDTOLHLR-IUCAKERBSA-N 1 0 186.299 1.289 20 0 ADADRO CCN1CC[N@H+](CCC2CC2)[C@@H](C)C1 671716869 486753961 /nfs/dbraw/zinc/75/39/61/486753961.db2.gz YWNOYCNRTYDALX-NSHDSACASA-N 1 0 196.338 1.813 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NCCCC(C)C 54075692 486754044 /nfs/dbraw/zinc/75/40/44/486754044.db2.gz HKJQEWLRRJAPJX-VIFPVBQESA-N 1 0 186.299 1.147 20 0 ADADRO C[N@H+](CC[C@H]1CCCO1)C1(CO)CC1 671727454 486754068 /nfs/dbraw/zinc/75/40/68/486754068.db2.gz RXTXSRGITSLBBB-SNVBAGLBSA-N 1 0 199.294 1.012 20 0 ADADRO C[C@H]([NH2+]CCN(C)C)C1CCCC1 54077225 486754076 /nfs/dbraw/zinc/75/40/76/486754076.db2.gz ADVDKHVQBVIBIM-JTQLQIEISA-N 1 0 184.327 1.716 20 0 ADADRO CCC[C@@H](CC)NC(=O)[C@H](C)[NH2+]C 54076905 486754241 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486795887 /nfs/dbraw/zinc/79/58/87/486795887.db2.gz FDGRUQHAAUOQOG-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO Cn1cncc1C[N@H+](C)CC(C)(C)C 674369897 486795907 /nfs/dbraw/zinc/79/59/07/486795907.db2.gz MRXMFALFMDQZAE-UHFFFAOYSA-N 1 0 195.310 1.898 20 0 ADADRO CC[N@@H+](Cc1cncn1C)CC(C)C 674369691 486795918 /nfs/dbraw/zinc/79/59/18/486795918.db2.gz GVPIBJINSDCCJD-UHFFFAOYSA-N 1 0 195.310 1.898 20 0 ADADRO CCC[N@H+](C)Cc1cncn1C 674370217 486796058 /nfs/dbraw/zinc/79/60/58/486796058.db2.gz QQLYHFQTGAKJTA-UHFFFAOYSA-N 1 0 167.256 1.262 20 0 ADADRO CC[C@H](C)C[N@H+](C)Cc1cncn1C 674369976 486796133 /nfs/dbraw/zinc/79/61/33/486796133.db2.gz OJYWSCPFBVTLIM-JTQLQIEISA-N 1 0 195.310 1.898 20 0 ADADRO CC(C)[C@H](C)[N@H+](C)Cc1cncn1C 674370482 486796232 /nfs/dbraw/zinc/79/62/32/486796232.db2.gz XLLKMLYXWFOBLQ-JTQLQIEISA-N 1 0 195.310 1.896 20 0 ADADRO CC[NH2+]CCNCc1scnc1C 70838338 486796289 /nfs/dbraw/zinc/79/62/89/486796289.db2.gz KHHWHAOOMRSZNV-UHFFFAOYSA-N 1 0 199.323 1.151 20 0 ADADRO 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486833192 /nfs/dbraw/zinc/83/31/92/486833192.db2.gz PLKFFYXFSOLETH-SNVBAGLBSA-N 1 0 171.284 1.753 20 0 ADADRO CCC(CC)CNC(=O)C1([NH3+])CC1 83340937 486833269 /nfs/dbraw/zinc/83/32/69/486833269.db2.gz RNVKNHANKZCZNK-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO COC[C@@H]([NH2+][C@@H]1CCOC1)C(C)C 83398276 486833623 /nfs/dbraw/zinc/83/36/23/486833623.db2.gz MIEDGDOGXFUBDL-NXEZZACHSA-N 1 0 187.283 1.036 20 0 ADADRO CCC(CC)(CC)NC(=O)C[NH3+] 83388256 486833658 /nfs/dbraw/zinc/83/36/58/486833658.db2.gz FCWLPDCWDMKSBO-UHFFFAOYSA-N 1 0 172.272 1.030 20 0 ADADRO CCC(CC)(CC)NC(=O)C[NH2+]C 83388242 486833701 /nfs/dbraw/zinc/83/37/01/486833701.db2.gz NSYJUZIFBDEKOG-UHFFFAOYSA-N 1 0 186.299 1.291 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 83391815 486833741 /nfs/dbraw/zinc/83/37/41/486833741.db2.gz PDIDXMNAAWNASP-LPEHRKFASA-N 1 0 196.294 1.043 20 0 ADADRO CC(C)C[NH2+]C[C@@]1(O)CCC[C@@H]1C 83397207 486833846 /nfs/dbraw/zinc/83/38/46/486833846.db2.gz FGUQUCFAPZXSQO-QWRGUYRKSA-N 1 0 185.311 1.783 20 0 ADADRO CC(C)C[NH2+]C[C@]1(O)CCC[C@@H]1C 83397213 486833871 /nfs/dbraw/zinc/83/38/71/486833871.db2.gz FGUQUCFAPZXSQO-WDEREUQCSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 83391807 486833985 /nfs/dbraw/zinc/83/39/85/486833985.db2.gz PDIDXMNAAWNASP-UTLUCORTSA-N 1 0 196.294 1.043 20 0 ADADRO CCC(CC)(CC)[NH2+]C[C@H](C)O 83388028 486834006 /nfs/dbraw/zinc/83/40/06/486834006.db2.gz NPHAEWVSSPPTRC-VIFPVBQESA-N 1 0 173.300 1.926 20 0 ADADRO CCC(CC)(CC)[NH2+]CC(=O)NC 83388007 486834168 /nfs/dbraw/zinc/83/41/68/486834168.db2.gz GEENRMPJVDBTNR-UHFFFAOYSA-N 1 0 186.299 1.291 20 0 ADADRO CCC(CC)(CC)NC(=O)[C@@H](C)[NH3+] 83388287 486834174 /nfs/dbraw/zinc/83/41/74/486834174.db2.gz ZTXFHVSRGLVFQV-MRVPVSSYSA-N 1 0 186.299 1.419 20 0 ADADRO CCC(CC)(CC)[NH2+]CCN 83388616 486834211 /nfs/dbraw/zinc/83/42/11/486834211.db2.gz SIYRKNSWTWDYQY-UHFFFAOYSA-N 1 0 158.289 1.504 20 0 ADADRO CC(C)C[NH2+]C[C@@]1(O)CCC[C@H]1C 83397204 486834246 /nfs/dbraw/zinc/83/42/46/486834246.db2.gz FGUQUCFAPZXSQO-MNOVXSKESA-N 1 0 185.311 1.783 20 0 ADADRO CCC(CC)(CC)NC(=O)[C@H](C)[NH3+] 83388235 486834252 /nfs/dbraw/zinc/83/42/52/486834252.db2.gz ZTXFHVSRGLVFQV-QMMMGPOBSA-N 1 0 186.299 1.419 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 83391812 486834328 /nfs/dbraw/zinc/83/43/28/486834328.db2.gz PDIDXMNAAWNASP-KXUCPTDWSA-N 1 0 196.294 1.043 20 0 ADADRO COC[C@H]([NH2+][C@@H]1CCOC1)C(C)C 83398280 486834341 /nfs/dbraw/zinc/83/43/41/486834341.db2.gz MIEDGDOGXFUBDL-ZJUUUORDSA-N 1 0 187.283 1.036 20 0 ADADRO CCC(CC)(CC)[NH2+]C[C@@H](C)O 83388027 486834357 /nfs/dbraw/zinc/83/43/57/486834357.db2.gz NPHAEWVSSPPTRC-SECBINFHSA-N 1 0 173.300 1.926 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 83391809 486834361 /nfs/dbraw/zinc/83/43/61/486834361.db2.gz PDIDXMNAAWNASP-GUBZILKMSA-N 1 0 196.294 1.043 20 0 ADADRO CC(C)C[NH2+]C[C@]1(O)CCC[C@H]1C 83397209 486834369 /nfs/dbraw/zinc/83/43/69/486834369.db2.gz FGUQUCFAPZXSQO-GHMZBOCLSA-N 1 0 185.311 1.783 20 0 ADADRO COC[C@H](C)[NH2+][C@H]1CCCOCC1 83424293 486834868 /nfs/dbraw/zinc/83/48/68/486834868.db2.gz HEBFHQYYMAWJAD-UWVGGRQHSA-N 1 0 187.283 1.180 20 0 ADADRO C[C@H]1CCC[C@@H]([NH2+]CCC(N)=O)CC1 83427365 486834923 /nfs/dbraw/zinc/83/49/23/486834923.db2.gz MITDGXBXTVQPSW-VHSXEESVSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@H]1CCC[C@H]([NH2+]CCC(N)=O)CC1 83427363 486834930 /nfs/dbraw/zinc/83/49/30/486834930.db2.gz MITDGXBXTVQPSW-UWVGGRQHSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H]1CCC[C@@H]([NH2+]CCC(N)=O)CC1 83427364 486834954 /nfs/dbraw/zinc/83/49/54/486834954.db2.gz MITDGXBXTVQPSW-NXEZZACHSA-N 1 0 198.310 1.420 20 0 ADADRO COC[C@H](C)[NH2+][C@@H]1CCCOCC1 83424288 486835162 /nfs/dbraw/zinc/83/51/62/486835162.db2.gz HEBFHQYYMAWJAD-VHSXEESVSA-N 1 0 187.283 1.180 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]CCC(N)=O)CC1 83427362 486835268 /nfs/dbraw/zinc/83/52/68/486835268.db2.gz MITDGXBXTVQPSW-ZJUUUORDSA-N 1 0 198.310 1.420 20 0 ADADRO CCCC1(CNC(=O)C[NH+](C)C)CC1 675414739 486835730 /nfs/dbraw/zinc/83/57/30/486835730.db2.gz FGDYLJQRDBXHEU-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CC(C)[N@H+](C)CC(=O)NC1CC=CC1 675394501 486835740 /nfs/dbraw/zinc/83/57/40/486835740.db2.gz ILDDELZMDCZALR-UHFFFAOYSA-N 1 0 196.294 1.161 20 0 ADADRO CCC[N@H+](C)CC(=O)NC1CC=CC1 675393369 486835820 /nfs/dbraw/zinc/83/58/20/486835820.db2.gz HQJHLJVFAQOVGZ-UHFFFAOYSA-N 1 0 196.294 1.163 20 0 ADADRO OC1(C[NH2+]C[C@H]2CCCO2)CCCC1 83466230 486835823 /nfs/dbraw/zinc/83/58/23/486835823.db2.gz PERDCFUOPUVPRH-SNVBAGLBSA-N 1 0 199.294 1.060 20 0 ADADRO OC1(C[NH2+]C[C@@H]2CCCO2)CCCC1 83466229 486835905 /nfs/dbraw/zinc/83/59/05/486835905.db2.gz PERDCFUOPUVPRH-JTQLQIEISA-N 1 0 199.294 1.060 20 0 ADADRO CC[NH+](CC)CC(=O)NC1CC=CC1 675393780 486835957 /nfs/dbraw/zinc/83/59/57/486835957.db2.gz CPKAHHMRCNRFBS-UHFFFAOYSA-N 1 0 196.294 1.163 20 0 ADADRO CC1CCC(O)(C[NH2+]CC2CC2)CC1 83468353 486836062 /nfs/dbraw/zinc/83/60/62/486836062.db2.gz GJEMVQQVAFKKGM-UHFFFAOYSA-N 1 0 197.322 1.927 20 0 ADADRO CCC(C)(C)C(=O)N[C@H](C[NH3+])C1CC1 83565205 486836491 /nfs/dbraw/zinc/83/64/91/486836491.db2.gz XFBLLSPRSSGTRA-SECBINFHSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)[C@H](C)C(=O)N[C@H](C[NH3+])C1CC1 83565141 486836502 /nfs/dbraw/zinc/83/65/02/486836502.db2.gz VRPRZNDOAQHTOQ-WCBMZHEXSA-N 1 0 198.310 1.132 20 0 ADADRO CC[NH+](CC)CCNC(=O)C1(C)CC1 675430729 486836736 /nfs/dbraw/zinc/83/67/36/486836736.db2.gz BGXQKXAJZULCKH-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CCC(CC)C(=O)N[C@H](C[NH3+])C1CC1 83565155 486836751 /nfs/dbraw/zinc/83/67/51/486836751.db2.gz UMPAUTAIATUWIV-SNVBAGLBSA-N 1 0 198.310 1.276 20 0 ADADRO [NH3+]C[C@H](NC(=O)C1CCCC1)C1CC1 83565296 486836778 /nfs/dbraw/zinc/83/67/78/486836778.db2.gz YXUYSVBVVBFQGA-JTQLQIEISA-N 1 0 196.294 1.030 20 0 ADADRO Cc1ncc(C[NH2+]C(C)(C)C)n1C 83534718 486836794 /nfs/dbraw/zinc/83/67/94/486836794.db2.gz MOOOTFDMCSVKKT-UHFFFAOYSA-N 1 0 181.283 1.617 20 0 ADADRO CCC[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 83565258 486836803 /nfs/dbraw/zinc/83/68/03/486836803.db2.gz MHGFJTUMSYDUIY-SCZZXKLOSA-N 1 0 198.310 1.276 20 0 ADADRO C[NH+](C)C(C)(C)CNC(=O)C1(C)CC1 675433777 486836822 /nfs/dbraw/zinc/83/68/22/486836822.db2.gz RHFYYPFGMDUKEY-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)[C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 83565140 486836823 /nfs/dbraw/zinc/83/68/23/486836823.db2.gz VRPRZNDOAQHTOQ-PSASIEDQSA-N 1 0 198.310 1.132 20 0 ADADRO CCC(C)(C)C(=O)N[C@@H](C[NH3+])C1CC1 83565204 486836828 /nfs/dbraw/zinc/83/68/28/486836828.db2.gz XFBLLSPRSSGTRA-VIFPVBQESA-N 1 0 198.310 1.276 20 0 ADADRO Cc1ncc(C[NH2+]C(C)C)n1C 83534684 486836861 /nfs/dbraw/zinc/83/68/61/486836861.db2.gz LMSHAXXNYDDSFP-UHFFFAOYSA-N 1 0 167.256 1.227 20 0 ADADRO CC(C)[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 83565138 486836879 /nfs/dbraw/zinc/83/68/79/486836879.db2.gz VRPRZNDOAQHTOQ-SCZZXKLOSA-N 1 0 198.310 1.132 20 0 ADADRO C[NH+](C)CCCNC(=O)C1=CCCC1 675432615 486836890 /nfs/dbraw/zinc/83/68/90/486836890.db2.gz TVIZHKTWXUNWCP-UHFFFAOYSA-N 1 0 196.294 1.165 20 0 ADADRO CCC(CC)C(=O)N[C@@H](C[NH3+])C1CC1 83565154 486836911 /nfs/dbraw/zinc/83/69/11/486836911.db2.gz UMPAUTAIATUWIV-JTQLQIEISA-N 1 0 198.310 1.276 20 0 ADADRO [NH3+]C[C@@H](NC(=O)C1CCCC1)C1CC1 83565297 486836917 /nfs/dbraw/zinc/83/69/17/486836917.db2.gz YXUYSVBVVBFQGA-SNVBAGLBSA-N 1 0 196.294 1.030 20 0 ADADRO CCC[NH2+]Cc1ncc(C)o1 83555542 486836949 /nfs/dbraw/zinc/83/69/49/486836949.db2.gz MPJNBTUEZMSRSK-UHFFFAOYSA-N 1 0 154.213 1.483 20 0 ADADRO CCC[C@H](C)C(=O)N[C@H](C[NH3+])C1CC1 83565261 486837024 /nfs/dbraw/zinc/83/70/24/486837024.db2.gz MHGFJTUMSYDUIY-WCBMZHEXSA-N 1 0 198.310 1.276 20 0 ADADRO CCC[C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 83565260 486837032 /nfs/dbraw/zinc/83/70/32/486837032.db2.gz MHGFJTUMSYDUIY-PSASIEDQSA-N 1 0 198.310 1.276 20 0 ADADRO CCC[C@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 83565259 486837045 /nfs/dbraw/zinc/83/70/45/486837045.db2.gz MHGFJTUMSYDUIY-WPRPVWTQSA-N 1 0 198.310 1.276 20 0 ADADRO Cc1ncc(C[NH2+]CC(C)C)n1C 83534730 486837068 /nfs/dbraw/zinc/83/70/68/486837068.db2.gz DUEISLOPWDWYLE-UHFFFAOYSA-N 1 0 181.283 1.474 20 0 ADADRO CC(C)[C@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 83565139 486837175 /nfs/dbraw/zinc/83/71/75/486837175.db2.gz VRPRZNDOAQHTOQ-WPRPVWTQSA-N 1 0 198.310 1.132 20 0 ADADRO CCCCCC(=O)N[C@H](C[NH3+])C1CC1 83565287 486837188 /nfs/dbraw/zinc/83/71/88/486837188.db2.gz QFMGBOYQQTVICS-SNVBAGLBSA-N 1 0 198.310 1.420 20 0 ADADRO CCCCCC(=O)N[C@@H](C[NH3+])C1CC1 83565286 486837192 /nfs/dbraw/zinc/83/71/92/486837192.db2.gz QFMGBOYQQTVICS-JTQLQIEISA-N 1 0 198.310 1.420 20 0 ADADRO CCC[NH2+][C@H](C)c1ccn(C)n1 83574188 486837557 /nfs/dbraw/zinc/83/75/57/486837557.db2.gz DFELNNKSJYEHEL-MRVPVSSYSA-N 1 0 167.256 1.481 20 0 ADADRO CCC[NH2+][C@@H](C)c1ccn(C)n1 83574185 486837697 /nfs/dbraw/zinc/83/76/97/486837697.db2.gz DFELNNKSJYEHEL-QMMMGPOBSA-N 1 0 167.256 1.481 20 0 ADADRO C[C@H](CNC(=O)C1=CCCC1)[NH+](C)C 675439638 486837849 /nfs/dbraw/zinc/83/78/49/486837849.db2.gz HCELHOVUHFRRTG-SECBINFHSA-N 1 0 196.294 1.163 20 0 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O=C(CC[NH2+]C1CC1)NCCC1CC1 83894482 486847638 /nfs/dbraw/zinc/84/76/38/486847638.db2.gz ASMDWDGNDGMXRX-UHFFFAOYSA-N 1 0 196.294 1.045 20 0 ADADRO CCC[C@@](C)([NH3+])C(=O)NCCC1CC1 83894489 486847647 /nfs/dbraw/zinc/84/76/47/486847647.db2.gz OUNJOHCDTJWRNA-LLVKDONJSA-N 1 0 198.310 1.420 20 0 ADADRO OC1(C[NH2+]CCC2CC2)CCCC1 83894535 486847674 /nfs/dbraw/zinc/84/76/74/486847674.db2.gz VBKBUJQXYDBQCR-UHFFFAOYSA-N 1 0 183.295 1.681 20 0 ADADRO CCOC[C@@H]1CC[N@H+](CC2CC2)C1 675640234 486847684 /nfs/dbraw/zinc/84/76/84/486847684.db2.gz SUEAXUPXCNELSW-LLVKDONJSA-N 1 0 183.295 1.755 20 0 ADADRO CC(C)C[C@H]([NH3+])C(=O)NCCC1CC1 83894338 486847733 /nfs/dbraw/zinc/84/77/33/486847733.db2.gz YRDCWEUZGOTNNR-JTQLQIEISA-N 1 0 198.310 1.276 20 0 ADADRO CCN(CC)[C@@H]1CC[N@H+](CC2CC2)C1 675640310 486847736 /nfs/dbraw/zinc/84/77/36/486847736.db2.gz WJUCIROANAWLBZ-GFCCVEGCSA-N 1 0 196.338 1.813 20 0 ADADRO CC(C)([NH3+])CCC(=O)NCCC1CC1 83894530 486847744 /nfs/dbraw/zinc/84/77/44/486847744.db2.gz ICJNXBDDWPWREE-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO COC[C@@H]1CC[N@H+](CC2CC2)C1 675640130 486847751 /nfs/dbraw/zinc/84/77/51/486847751.db2.gz POJMQKKRCIKAEK-SNVBAGLBSA-N 1 0 169.268 1.365 20 0 ADADRO CC(C)C[C@@H]([NH3+])C(=O)NCCC1CC1 83894373 486847782 /nfs/dbraw/zinc/84/77/82/486847782.db2.gz YRDCWEUZGOTNNR-SNVBAGLBSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@@H](O)C[NH2+]CC(C1CC1)C1CC1 83894957 486847809 /nfs/dbraw/zinc/84/78/09/486847809.db2.gz GCCRLZUJYISDGX-MRVPVSSYSA-N 1 0 183.295 1.393 20 0 ADADRO CC(C)(C)[C@H]([NH3+])C(=O)NCCC1CC1 83894421 486847818 /nfs/dbraw/zinc/84/78/18/486847818.db2.gz SSYQNWPKVXWNBB-SECBINFHSA-N 1 0 198.310 1.276 20 0 ADADRO [NH3+]C1(C(=O)NCCC2CC2)CCCC1 83894376 486847865 /nfs/dbraw/zinc/84/78/65/486847865.db2.gz IFTUELVUZBMSQO-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO O=C(C[C@@H]1CCC[NH2+]1)NCCC1CC1 83894508 486847905 /nfs/dbraw/zinc/84/79/05/486847905.db2.gz LBUPLZKSFYGQKX-JTQLQIEISA-N 1 0 196.294 1.045 20 0 ADADRO CC(C)[NH2+]CCC(=O)NCCC1CC1 83894308 486847911 /nfs/dbraw/zinc/84/79/11/486847911.db2.gz LSKJPRSZUMKUOL-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H](O)C[NH2+]CC(C1CC1)C1CC1 83894956 486847915 /nfs/dbraw/zinc/84/79/15/486847915.db2.gz GCCRLZUJYISDGX-QMMMGPOBSA-N 1 0 183.295 1.393 20 0 ADADRO O=C1C[C@@H]([NH2+]CCC2CC2)CCCN1 83894317 486847997 /nfs/dbraw/zinc/84/79/97/486847997.db2.gz LQEIFOHUOPRJPP-JTQLQIEISA-N 1 0 196.294 1.045 20 0 ADADRO CC[C@H](O)C[NH2+]CC(C1CC1)C1CC1 83895091 486848058 /nfs/dbraw/zinc/84/80/58/486848058.db2.gz QOGDLDKHYPRZIH-NSHDSACASA-N 1 0 197.322 1.783 20 0 ADADRO Cc1noc(CCC[NH+]2CCCC2)n1 675643630 486848191 /nfs/dbraw/zinc/84/81/91/486848191.db2.gz TYCWZNAQFFEZLY-UHFFFAOYSA-N 1 0 195.266 1.406 20 0 ADADRO CO[C@@H]1CCC[C@H]1[NH2+]CCC1CC1 83926499 486848321 /nfs/dbraw/zinc/84/83/21/486848321.db2.gz UNVWCIIUSHFSML-GHMZBOCLSA-N 1 0 183.295 1.944 20 0 ADADRO C[N@@H+](Cc1cn[nH]c1)CC1CC1 675646967 486848445 /nfs/dbraw/zinc/84/84/45/486848445.db2.gz MNYMEDHTQAHNNU-UHFFFAOYSA-N 1 0 165.240 1.252 20 0 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83964142 486850039 /nfs/dbraw/zinc/85/00/39/486850039.db2.gz NWCMKNZDDIKUAI-JTQLQIEISA-N 1 0 179.267 1.033 20 0 ADADRO C[NH2+]CC(=O)N1CCC[C@@H]1CC(C)C 83937114 486850066 /nfs/dbraw/zinc/85/00/66/486850066.db2.gz XTUKPWWKJGXZKB-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CCCCC[C@H]1C 83949015 486850078 /nfs/dbraw/zinc/85/00/78/486850078.db2.gz DRJQWYZZRWSMJI-GMTAPVOTSA-N 1 0 185.311 1.926 20 0 ADADRO CC(C)(C)CCNC(=O)[C@@H]1CCC[NH2+]1 83957735 486850110 /nfs/dbraw/zinc/85/01/10/486850110.db2.gz AVLHNJKDCBACQR-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)(C)CCNC(=O)[C@H]1CCC[NH2+]1 83957737 486850123 /nfs/dbraw/zinc/85/01/23/486850123.db2.gz AVLHNJKDCBACQR-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H]1CCCCC[C@H]1[NH2+]C[C@@H](C)O 83949016 486850198 /nfs/dbraw/zinc/85/01/98/486850198.db2.gz DRJQWYZZRWSMJI-HBNTYKKESA-N 1 0 185.311 1.926 20 0 ADADRO C[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H](C)O 83949014 486850275 /nfs/dbraw/zinc/85/02/75/486850275.db2.gz 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C[C@@H]1OCC[N@H+](C[C@@H]2CCOC2)[C@H]1C 675897442 486852103 /nfs/dbraw/zinc/85/21/03/486852103.db2.gz XFXVBAKQTDKRDC-DCAQKATOSA-N 1 0 199.294 1.132 20 0 ADADRO C[NH2+]CCCC(=O)N[C@H]1CC=CCC1 84067577 486852111 /nfs/dbraw/zinc/85/21/11/486852111.db2.gz IGHWOZQYFPLPDH-JTQLQIEISA-N 1 0 196.294 1.211 20 0 ADADRO CC(C)[NH2+]CC(=O)N[C@@H]1CC=CCC1 84067327 486852119 /nfs/dbraw/zinc/85/21/19/486852119.db2.gz PCVAPYIUBBKYNR-SNVBAGLBSA-N 1 0 196.294 1.209 20 0 ADADRO CCOC[C@H](O)C[NH2+][C@@H]1CC=CCC1 84067641 486852145 /nfs/dbraw/zinc/85/21/45/486852145.db2.gz XQZJRUTZUBCHOB-GHMZBOCLSA-N 1 0 199.294 1.082 20 0 ADADRO C[C@@H]1OCC[N@H+](C[C@H]2CCOC2)[C@H]1C 675897443 486852147 /nfs/dbraw/zinc/85/21/47/486852147.db2.gz XFXVBAKQTDKRDC-GARJFASQSA-N 1 0 199.294 1.132 20 0 ADADRO C[NH2+]CCCC(=O)N[C@@H]1CC=CCC1 84067578 486852152 /nfs/dbraw/zinc/85/21/52/486852152.db2.gz IGHWOZQYFPLPDH-SNVBAGLBSA-N 1 0 196.294 1.211 20 0 ADADRO CC[C@H]([NH2+]Cc1cnc[nH]1)C1CC1 84080908 486852162 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/nfs/dbraw/zinc/85/24/17/486852417.db2.gz RMNBISDKXIZFNU-NXEZZACHSA-N 1 0 169.268 1.456 20 0 ADADRO C[C@@H]1OCC[N@H+](C[C@H]2CCOC2)[C@@H]1C 675897444 486852424 /nfs/dbraw/zinc/85/24/24/486852424.db2.gz XFXVBAKQTDKRDC-OUAUKWLOSA-N 1 0 199.294 1.132 20 0 ADADRO CCOC[C@H](O)C[NH2+][C@H]1CC=CCC1 84067639 486852437 /nfs/dbraw/zinc/85/24/37/486852437.db2.gz XQZJRUTZUBCHOB-WDEREUQCSA-N 1 0 199.294 1.082 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CC=CCC1 84067319 486852468 /nfs/dbraw/zinc/85/24/68/486852468.db2.gz NHKPVIDOLHRHLT-BDAKNGLRSA-N 1 0 155.241 1.066 20 0 ADADRO CC(C)([NH3+])CC(=O)N[C@H]1CC=CCC1 84067085 486852491 /nfs/dbraw/zinc/85/24/91/486852491.db2.gz MUNIBNHWZYINJW-VIFPVBQESA-N 1 0 196.294 1.339 20 0 ADADRO COCCC[N@@H+]1CCO[C@@H](C)[C@@H]1C 675897375 486852493 /nfs/dbraw/zinc/85/24/93/486852493.db2.gz SXIJCEWUZXKZFP-UWVGGRQHSA-N 1 0 187.283 1.132 20 0 ADADRO Cn1ncnc1C[NH2+][C@H]1CC=CCC1 84067827 486852551 /nfs/dbraw/zinc/85/25/51/486852551.db2.gz RLSDGNNNLNQCQK-VIFPVBQESA-N 1 0 192.266 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486888210 /nfs/dbraw/zinc/88/82/10/486888210.db2.gz QZPVOHJWKMXDMB-SECBINFHSA-N 1 0 198.310 1.515 20 0 ADADRO CC(C)CCNC(=O)CC1([NH3+])CCC1 86853002 486888217 /nfs/dbraw/zinc/88/82/17/486888217.db2.gz XABNSAATCAJBCM-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO CC(C)N(C)C(=O)CC1([NH3+])CCC1 86853015 486888225 /nfs/dbraw/zinc/88/82/25/486888225.db2.gz MIYUNIHRNXNRIX-UHFFFAOYSA-N 1 0 184.283 1.125 20 0 ADADRO [NH3+]C1(CC(=O)N2CCCCC2)CCC1 86853066 486888254 /nfs/dbraw/zinc/88/82/54/486888254.db2.gz XQNYOWCEOMUGPD-UHFFFAOYSA-N 1 0 196.294 1.270 20 0 ADADRO CCC(CC)NC(=O)CC1([NH3+])CCC1 86852944 486888275 /nfs/dbraw/zinc/88/82/75/486888275.db2.gz QDVQZKPNVKHQJM-UHFFFAOYSA-N 1 0 198.310 1.563 20 0 ADADRO C[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 86853426 486888283 /nfs/dbraw/zinc/88/82/83/486888283.db2.gz DCCAPPJHWVXNCB-VIFPVBQESA-N 1 0 196.294 1.126 20 0 ADADRO CCC(C)(C)NC(=O)CC1([NH3+])CCC1 86852909 486888306 /nfs/dbraw/zinc/88/83/06/486888306.db2.gz FOZXMENROZPOKJ-UHFFFAOYSA-N 1 0 198.310 1.563 20 0 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CSXJXYOMCJRMQN-UHFFFAOYSA-N 1 0 198.310 1.564 20 0 ADADRO CCCCNC(=O)CC1([NH3+])CCC1 86852998 486888537 /nfs/dbraw/zinc/88/85/37/486888537.db2.gz CBJUXTDLRNWKAR-UHFFFAOYSA-N 1 0 184.283 1.174 20 0 ADADRO CC(C)CNC(=O)CC1([NH3+])CCC1 86852939 486888545 /nfs/dbraw/zinc/88/85/45/486888545.db2.gz KTUPJWODCQEXBN-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)(C)CNC(=O)CC1([NH3+])CCC1 86853417 486888562 /nfs/dbraw/zinc/88/85/62/486888562.db2.gz AMVXCCPUMTXQRD-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H](C)NC(=O)CC1([NH3+])CCC1 86852935 486888566 /nfs/dbraw/zinc/88/85/66/486888566.db2.gz GIBXJTCABGWYEC-QMMMGPOBSA-N 1 0 184.283 1.173 20 0 ADADRO CCCN(C)C(=O)CC1([NH3+])CCC1 86853184 486888571 /nfs/dbraw/zinc/88/85/71/486888571.db2.gz XITSAJCWPILBET-UHFFFAOYSA-N 1 0 184.283 1.126 20 0 ADADRO [NH3+]C1(CC(=O)NCCC2CC2)CCC1 86853732 486888572 /nfs/dbraw/zinc/88/85/72/486888572.db2.gz MMVIMMPGIMRWNC-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO CCN(CC)C(=O)CC1([NH3+])CCC1 86852915 486888582 /nfs/dbraw/zinc/88/85/82/486888582.db2.gz GAKJPLMGRPVBQW-UHFFFAOYSA-N 1 0 184.283 1.126 20 0 ADADRO CC[C@H](C)N(C)C(=O)CC1([NH3+])CCC1 86853191 486888588 /nfs/dbraw/zinc/88/85/88/486888588.db2.gz QZPVOHJWKMXDMB-VIFPVBQESA-N 1 0 198.310 1.515 20 0 ADADRO CCN(C(=O)CC1([NH3+])CCC1)C1CC1 86853166 486888590 /nfs/dbraw/zinc/88/85/90/486888590.db2.gz ODNQLADHNPEDOA-UHFFFAOYSA-N 1 0 196.294 1.269 20 0 ADADRO CCC[C@H](C)NC(=O)CC1([NH3+])CCC1 86852989 486888607 /nfs/dbraw/zinc/88/86/07/486888607.db2.gz WXBHQVSXUCRDBW-VIFPVBQESA-N 1 0 198.310 1.563 20 0 ADADRO C[C@H]1CCCN1C(=O)CC1([NH3+])CCC1 86853367 486888624 /nfs/dbraw/zinc/88/86/24/486888624.db2.gz ZYXBMCSOIRSWSA-VIFPVBQESA-N 1 0 196.294 1.269 20 0 ADADRO C[C@H]1C[C@@H]([NH2+]C2CC2)CS1 86933941 486888978 /nfs/dbraw/zinc/88/89/78/486888978.db2.gz QOBCHDAWMPSWSG-POYBYMJQSA-N 1 0 157.282 1.632 20 0 ADADRO CC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 86884797 486889066 /nfs/dbraw/zinc/88/90/66/486889066.db2.gz AWCPXLCMVFIVBZ-IVZWLZJFSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1 86902023 486889179 /nfs/dbraw/zinc/88/91/79/486889179.db2.gz XCWPINMGKMAOLL-NXEZZACHSA-N 1 0 199.294 1.059 20 0 ADADRO CCC[NH2+][C@@H]1CS[C@@H](C)C1 86933959 486889231 /nfs/dbraw/zinc/88/92/31/486889231.db2.gz NJBCGNLLDSMUIP-YUMQZZPRSA-N 1 0 159.298 1.880 20 0 ADADRO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC1(C)C 86877241 486889328 /nfs/dbraw/zinc/88/93/28/486889328.db2.gz GLKFCWDRMWNBBS-DTWKUNHWSA-N 1 0 198.310 1.289 20 0 ADADRO CCC[NH2+][C@H]1CS[C@@H](C)C1 86933958 486889342 /nfs/dbraw/zinc/88/93/42/486889342.db2.gz NJBCGNLLDSMUIP-JGVFFNPUSA-N 1 0 159.298 1.880 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1 86902020 486889427 /nfs/dbraw/zinc/88/94/27/486889427.db2.gz XCWPINMGKMAOLL-VHSXEESVSA-N 1 0 199.294 1.059 20 0 ADADRO CC[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 86884793 486889432 /nfs/dbraw/zinc/88/94/32/486889432.db2.gz AWCPXLCMVFIVBZ-AEJSXWLSSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@@H]1C[C@H]([NH2+]C2CC2)CS1 86933938 486889442 /nfs/dbraw/zinc/88/94/42/486889442.db2.gz QOBCHDAWMPSWSG-SVRRBLITSA-N 1 0 157.282 1.632 20 0 ADADRO CC1(C)CCC[C@@H]1NC(=O)CCC[NH3+] 86877163 486889475 /nfs/dbraw/zinc/88/94/75/486889475.db2.gz PYZCFBCYGXLZSD-VIFPVBQESA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1 86902031 486889552 /nfs/dbraw/zinc/88/95/52/486889552.db2.gz XCWPINMGKMAOLL-ZJUUUORDSA-N 1 0 199.294 1.059 20 0 ADADRO CC1(C)CCC[C@H]1NC(=O)CCC[NH3+] 86877166 486889579 /nfs/dbraw/zinc/88/95/79/486889579.db2.gz PYZCFBCYGXLZSD-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO CCC[NH2+][C@@H]1CS[C@H](C)C1 86933961 486889587 /nfs/dbraw/zinc/88/95/87/486889587.db2.gz NJBCGNLLDSMUIP-SFYZADRCSA-N 1 0 159.298 1.880 20 0 ADADRO CCC[NH2+][C@H]1CS[C@H](C)C1 86933960 486889596 /nfs/dbraw/zinc/88/95/96/486889596.db2.gz NJBCGNLLDSMUIP-HTQZYQBOSA-N 1 0 159.298 1.880 20 0 ADADRO C[NH2+]CCC(=O)N[C@@H]1CCCC1(C)C 86877229 486889612 /nfs/dbraw/zinc/88/96/12/486889612.db2.gz BPFBJUMPBRJUBK-SECBINFHSA-N 1 0 198.310 1.291 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C[C@H](O)[C@H]1CCC[N@H+](CCC2CC2)C1 677697704 486892522 /nfs/dbraw/zinc/89/25/22/486892522.db2.gz ANIPZSVAEFWWNF-JQWIXIFHSA-N 1 0 197.322 1.879 20 0 ADADRO CN(CC[NH+]1CCCC1)CC(F)F 677682095 486892585 /nfs/dbraw/zinc/89/25/85/486892585.db2.gz QCBFEPLHXODVSX-UHFFFAOYSA-N 1 0 192.253 1.279 20 0 ADADRO C[N@H+](CCN1CCCC1)C1CCCC1 677676907 486892661 /nfs/dbraw/zinc/89/26/61/486892661.db2.gz PPSKRVUBGPXIGZ-UHFFFAOYSA-N 1 0 196.338 1.957 20 0 ADADRO CC[C@@H](C)C[N@H+](C)CCN(C)C 677685552 486892688 /nfs/dbraw/zinc/89/26/88/486892688.db2.gz XNQABVNPXSAROR-SNVBAGLBSA-N 1 0 172.316 1.526 20 0 ADADRO C[N@H+](CCC[NH+]1CCCC1)CC1CC1 677675544 486892760 /nfs/dbraw/zinc/89/27/60/486892760.db2.gz GUSXGLOWOZIUAP-UHFFFAOYSA-N 1 0 196.338 1.814 20 0 ADADRO CC[C@H](C)C[N@H+](C)CCN(C)C 677685551 486892826 /nfs/dbraw/zinc/89/28/26/486892826.db2.gz XNQABVNPXSAROR-JTQLQIEISA-N 1 0 172.316 1.526 20 0 ADADRO C[C@H](O)[C@H]1CCC[N@H+](CC2CC2)C1 677695539 486892835 /nfs/dbraw/zinc/89/28/35/486892835.db2.gz 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CC(C)CC[N@H+](C)C[C@H](O)C(C)C 87538459 486898549 /nfs/dbraw/zinc/89/85/49/486898549.db2.gz BSSDJUAKBLNGOW-NSHDSACASA-N 1 0 187.327 1.981 20 0 ADADRO C[C@@H](c1cccnc1)[N@H+](C)CCCO 677801244 486898565 /nfs/dbraw/zinc/89/85/65/486898565.db2.gz OVJHQPMXFXOXNC-JTQLQIEISA-N 1 0 194.278 1.457 20 0 ADADRO CC[C@@H](C)C[N@H+](C)Cc1cn(C)nn1 677763382 486898676 /nfs/dbraw/zinc/89/86/76/486898676.db2.gz ZXMWLJMRCJUGRD-SECBINFHSA-N 1 0 196.298 1.293 20 0 ADADRO C[C@@H](c1ccccn1)[N@H+](C)CCCO 677800972 486898697 /nfs/dbraw/zinc/89/86/97/486898697.db2.gz DUQKHHJQIMYULU-JTQLQIEISA-N 1 0 194.278 1.457 20 0 ADADRO C[C@H](c1cccnc1)[N@H+](C)CCO 677801325 486898795 /nfs/dbraw/zinc/89/87/95/486898795.db2.gz XVOCTHHFVVGNPB-SECBINFHSA-N 1 0 180.251 1.067 20 0 ADADRO CC[C@H](C)C[N@H+](C)Cc1cn(C)nn1 677763383 486898898 /nfs/dbraw/zinc/89/88/98/486898898.db2.gz ZXMWLJMRCJUGRD-VIFPVBQESA-N 1 0 196.298 1.293 20 0 ADADRO C[C@H](c1cccnc1)[N@H+](C)CCCO 677801245 486898916 /nfs/dbraw/zinc/89/89/16/486898916.db2.gz 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486900210 /nfs/dbraw/zinc/90/02/10/486900210.db2.gz XOSWDPVPPFSMGQ-BDAKNGLRSA-N 1 0 189.324 1.243 20 0 ADADRO c1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c[nH]1 87689679 486900220 /nfs/dbraw/zinc/90/02/20/486900220.db2.gz RLHGTNFOMMPBKX-MXWKQRLJSA-N 1 0 192.262 1.424 20 0 ADADRO C1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CCO1 87689721 486900267 /nfs/dbraw/zinc/90/02/67/486900267.db2.gz OZNQOMPTUXFXMR-MXWKQRLJSA-N 1 0 197.278 1.075 20 0 ADADRO CC[C@H](O)C[NH2+]C[C@H]1CCCS1 87669431 486900331 /nfs/dbraw/zinc/90/03/31/486900331.db2.gz APCGOKZIJZSEEO-DTWKUNHWSA-N 1 0 189.324 1.243 20 0 ADADRO CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 87689731 486900341 /nfs/dbraw/zinc/90/03/41/486900341.db2.gz HEKZSCOKBDRWFM-BBBLOLIVSA-N 1 0 183.295 1.942 20 0 ADADRO c1coc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 87689695 486900381 /nfs/dbraw/zinc/90/03/81/486900381.db2.gz ZZXOAUACJCQCEV-IEBDPFPHSA-N 1 0 193.246 1.689 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@H]1CCCCS1 87685465 486900403 /nfs/dbraw/zinc/90/04/03/486900403.db2.gz XOSWDPVPPFSMGQ-IUCAKERBSA-N 1 0 189.324 1.243 20 0 ADADRO CCC(CC)C(=O)N1CC([NH+](C)C)C1 677844390 486904264 /nfs/dbraw/zinc/90/42/64/486904264.db2.gz LWQRXNKMHFGUGR-UHFFFAOYSA-N 1 0 198.310 1.195 20 0 ADADRO C[C@H](O)C[NH2+]C[C@H]1CCCCS1 87685469 486900493 /nfs/dbraw/zinc/90/04/93/486900493.db2.gz XOSWDPVPPFSMGQ-DTWKUNHWSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@@H](O)C[NH2+]C[C@@H]1CCCS1 87669430 486900519 /nfs/dbraw/zinc/90/05/19/486900519.db2.gz APCGOKZIJZSEEO-BDAKNGLRSA-N 1 0 189.324 1.243 20 0 ADADRO C[C@@H](O)C[NH2+]C[C@H]1CCCCS1 87685471 486900545 /nfs/dbraw/zinc/90/05/45/486900545.db2.gz XOSWDPVPPFSMGQ-RKDXNWHRSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@H](C)CN(C)C(=O)C1([NH3+])CCC1 88050258 486908096 /nfs/dbraw/zinc/90/80/96/486908096.db2.gz TZEFMBGPZQOHQN-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 87689707 486900768 /nfs/dbraw/zinc/90/07/68/486900768.db2.gz UOHLDPVMPVDJOA-MXWKQRLJSA-N 1 0 181.279 1.839 20 0 ADADRO CC[C@@H]1CC[N@H+](CCn2ccnc2)C1 677985164 486910462 /nfs/dbraw/zinc/91/04/62/486910462.db2.gz VAHXOGXSOFTNKT-LLVKDONJSA-N 1 0 193.294 1.615 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)C1CCC1 87779689 486901185 /nfs/dbraw/zinc/90/11/85/486901185.db2.gz RAWBDEUHADFDEJ-SNVBAGLBSA-N 1 0 198.310 1.420 20 0 ADADRO CCC[N@H+](CCn1ccnc1)C1CC1 677982715 486911183 /nfs/dbraw/zinc/91/11/83/486911183.db2.gz CRXCWFULWNIOAM-UHFFFAOYSA-N 1 0 193.294 1.758 20 0 ADADRO CC1(C)CC[C@H]([NH2+]CCC(N)=O)C1 87770090 486901256 /nfs/dbraw/zinc/90/12/56/486901256.db2.gz UUCXDBCABMAQRO-QMMMGPOBSA-N 1 0 184.283 1.030 20 0 ADADRO CCCC[C@@H](C[NH3+])NC(=O)CC 87779307 486901306 /nfs/dbraw/zinc/90/13/06/486901306.db2.gz NYOABBYZFBJIKN-QMMMGPOBSA-N 1 0 172.272 1.030 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC2)C1 87783786 486901383 /nfs/dbraw/zinc/90/13/83/486901383.db2.gz QVANHRFUMVDTRP-KXUCPTDWSA-N 1 0 169.268 1.554 20 0 ADADRO CCCC[C@@H](C[NH3+])NC(=O)C1CC1 87779315 486901394 /nfs/dbraw/zinc/90/13/94/486901394.db2.gz JOSWROJIEYMFPI-VIFPVBQESA-N 1 0 184.283 1.030 20 0 ADADRO COC[C@H](C)[NH2+]Cc1ccc(C)cn1 87782036 486901459 /nfs/dbraw/zinc/90/14/59/486901459.db2.gz JBNOKVFBZPFDEW-JTQLQIEISA-N 1 0 194.278 1.515 20 0 ADADRO COc1cc(C[N@H+](C)C2CC2)ccn1 677817796 486901465 /nfs/dbraw/zinc/90/14/65/486901465.db2.gz BNNQGYJQSVTVRL-UHFFFAOYSA-N 1 0 192.262 1.684 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)C1CC1 87779317 486901468 /nfs/dbraw/zinc/90/14/68/486901468.db2.gz JOSWROJIEYMFPI-SECBINFHSA-N 1 0 184.283 1.030 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C 87779705 486901493 /nfs/dbraw/zinc/90/14/93/486901493.db2.gz LGDGMAMLOIUJKP-IVZWLZJFSA-N 1 0 198.310 1.276 20 0 ADADRO CCCC[C@@H](C[NH3+])NC(=O)C(C)C 87779218 486901517 /nfs/dbraw/zinc/90/15/17/486901517.db2.gz JATXKMHATLIFLM-VIFPVBQESA-N 1 0 186.299 1.276 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 87783790 486901553 /nfs/dbraw/zinc/90/15/53/486901553.db2.gz QVANHRFUMVDTRP-OPRDCNLKSA-N 1 0 169.268 1.554 20 0 ADADRO Cc1nccn1CCC[N@@H+](C)C1CC1 677818696 486901554 /nfs/dbraw/zinc/90/15/54/486901554.db2.gz UIBNDRFURQPNEP-UHFFFAOYSA-N 1 0 193.294 1.676 20 0 ADADRO CCCC[C@@H](C[NH3+])NC(=O)CCC 87779189 486901567 /nfs/dbraw/zinc/90/15/67/486901567.db2.gz GKQCHSSTBWKGRW-VIFPVBQESA-N 1 0 186.299 1.420 20 0 ADADRO CO[C@@H]1CCC[C@H]1[NH2+]CCF 87775046 486901572 /nfs/dbraw/zinc/90/15/72/486901572.db2.gz LBVODHOKQLXNJM-HTQZYQBOSA-N 1 0 161.220 1.113 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)CC 87779309 486901578 /nfs/dbraw/zinc/90/15/78/486901578.db2.gz NYOABBYZFBJIKN-MRVPVSSYSA-N 1 0 172.272 1.030 20 0 ADADRO CCCC[C@@H](C[NH3+])NC(=O)C1CCC1 87779687 486901594 /nfs/dbraw/zinc/90/15/94/486901594.db2.gz RAWBDEUHADFDEJ-JTQLQIEISA-N 1 0 198.310 1.420 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)CCC 87779191 486901600 /nfs/dbraw/zinc/90/16/00/486901600.db2.gz GKQCHSSTBWKGRW-SECBINFHSA-N 1 0 186.299 1.420 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)C(C)C 87779221 486901616 /nfs/dbraw/zinc/90/16/16/486901616.db2.gz JATXKMHATLIFLM-SECBINFHSA-N 1 0 186.299 1.276 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)CC1CC1 87779326 486901632 /nfs/dbraw/zinc/90/16/32/486901632.db2.gz DOECMQYRXLPQRK-SNVBAGLBSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccoc1 87783238 486901644 /nfs/dbraw/zinc/90/16/44/486901644.db2.gz MRPDIEZRIPGTTO-PSASIEDQSA-N 1 0 181.235 1.719 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccoc1 87783236 486901653 /nfs/dbraw/zinc/90/16/53/486901653.db2.gz MRPDIEZRIPGTTO-WCBMZHEXSA-N 1 0 181.235 1.719 20 0 ADADRO CCCC[C@@H](C[NH3+])NC(=O)CC1CC1 87779323 486901665 /nfs/dbraw/zinc/90/16/65/486901665.db2.gz DOECMQYRXLPQRK-JTQLQIEISA-N 1 0 198.310 1.420 20 0 ADADRO CCc1ccc(C[NH2+][C@@H]2CCOC2)o1 87783749 486901683 /nfs/dbraw/zinc/90/16/83/486901683.db2.gz HDCYXKAKNDYPMK-SECBINFHSA-N 1 0 195.262 1.721 20 0 ADADRO CC1(C)CC[C@@H]([NH2+]CCC(N)=O)C1 87770092 486901813 /nfs/dbraw/zinc/90/18/13/486901813.db2.gz UUCXDBCABMAQRO-MRVPVSSYSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@H]([NH2+][C@@H]1CCOC1)C1CC1 87783794 486901861 /nfs/dbraw/zinc/90/18/61/486901861.db2.gz FNYGXZAUZFOZPT-ZJUUUORDSA-N 1 0 169.268 1.554 20 0 ADADRO CC[C@@H]([NH2+][C@@H]1CCOC1)C1CC1 87783796 486901870 /nfs/dbraw/zinc/90/18/70/486901870.db2.gz FNYGXZAUZFOZPT-NXEZZACHSA-N 1 0 169.268 1.554 20 0 ADADRO CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]1C 87779710 486901900 /nfs/dbraw/zinc/90/19/00/486901900.db2.gz LGDGMAMLOIUJKP-AEJSXWLSSA-N 1 0 198.310 1.276 20 0 ADADRO CCC[N@H+](C)Cc1ccnc(OC)c1 677818430 486901950 /nfs/dbraw/zinc/90/19/50/486901950.db2.gz NBPGUKHMMMKOJL-UHFFFAOYSA-N 1 0 194.278 1.932 20 0 ADADRO CC[N@H+](C)CCCn1ccnc1C 677818703 486902417 /nfs/dbraw/zinc/90/24/17/486902417.db2.gz UOQMVVIOYPMXOS-UHFFFAOYSA-N 1 0 181.283 1.533 20 0 ADADRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CCO1 87784509 486902590 /nfs/dbraw/zinc/90/25/90/486902590.db2.gz FIIWQWGJTORHCF-GMTAPVOTSA-N 1 0 199.294 1.323 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CS1 87784320 486902727 /nfs/dbraw/zinc/90/27/27/486902727.db2.gz XMTJCVGMZOTJOS-IWSPIJDZSA-N 1 0 187.308 1.259 20 0 ADADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CCO1 87784513 486902754 /nfs/dbraw/zinc/90/27/54/486902754.db2.gz FIIWQWGJTORHCF-HBNTYKKESA-N 1 0 199.294 1.323 20 0 ADADRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CS1 87784316 486902781 /nfs/dbraw/zinc/90/27/81/486902781.db2.gz XMTJCVGMZOTJOS-HLTSFMKQSA-N 1 0 187.308 1.259 20 0 ADADRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1 87784163 486902783 /nfs/dbraw/zinc/90/27/83/486902783.db2.gz URTDOHNQTVFSDG-GMTAPVOTSA-N 1 0 199.294 1.323 20 0 ADADRO CC(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 87790715 486903306 /nfs/dbraw/zinc/90/33/06/486903306.db2.gz KBXAHKMXGXDJBT-BBBLOLIVSA-N 1 0 169.268 1.552 20 0 ADADRO CC(C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 87790596 486903360 /nfs/dbraw/zinc/90/33/60/486903360.db2.gz MKBOVWDPTMHSKC-HLTSFMKQSA-N 1 0 155.241 1.304 20 0 ADADRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 87786926 486903749 /nfs/dbraw/zinc/90/37/49/486903749.db2.gz HPRHASPIFPSSJY-HBNTYKKESA-N 1 0 199.294 1.323 20 0 ADADRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 87786931 486903803 /nfs/dbraw/zinc/90/38/03/486903803.db2.gz HPRHASPIFPSSJY-GMTAPVOTSA-N 1 0 199.294 1.323 20 0 ADADRO Cc1c[nH+]ccc1N[C@@H]1CCOC1 87787849 486904026 /nfs/dbraw/zinc/90/40/26/486904026.db2.gz WVVGPISUHQHOGA-SECBINFHSA-N 1 0 178.235 1.591 20 0 ADADRO C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CS1 87790541 486904037 /nfs/dbraw/zinc/90/40/37/486904037.db2.gz YIVWVPXTPIAIBC-KYXWUPHJSA-N 1 0 199.319 1.401 20 0 ADADRO CCCCCC(=O)N1CC([NH+](C)C)C1 677844376 486904246 /nfs/dbraw/zinc/90/42/46/486904246.db2.gz IGUFHZDRTYYEHE-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO C[C@@H](O)C[NH2+]C[C@@]1(C)CCCS1 87793477 486904302 /nfs/dbraw/zinc/90/43/02/486904302.db2.gz PIPZQDOFTUVEFC-RKDXNWHRSA-N 1 0 189.324 1.243 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@]1(C)CCCS1 87793476 486904317 /nfs/dbraw/zinc/90/43/17/486904317.db2.gz PIPZQDOFTUVEFC-DTWKUNHWSA-N 1 0 189.324 1.243 20 0 ADADRO C[C@H](O)C[NH2+]C[C@]1(C)CCCS1 87793474 486904367 /nfs/dbraw/zinc/90/43/67/486904367.db2.gz PIPZQDOFTUVEFC-IUCAKERBSA-N 1 0 189.324 1.243 20 0 ADADRO CC(C)OCCN(C)CC(C)(C)[NH3+] 87978067 486904577 /nfs/dbraw/zinc/90/45/77/486904577.db2.gz AEXNMGMBPHGMKC-UHFFFAOYSA-N 1 0 188.315 1.081 20 0 ADADRO C[C@@H](O)C[NH2+]C[C@]1(C)CCCS1 87793475 486904663 /nfs/dbraw/zinc/90/46/63/486904663.db2.gz PIPZQDOFTUVEFC-BDAKNGLRSA-N 1 0 189.324 1.243 20 0 ADADRO CCC[C@H](C)C(=O)N1CC([NH+](C)C)C1 677844370 486904647 /nfs/dbraw/zinc/90/46/47/486904647.db2.gz FPTNWMLCDOTTFZ-VIFPVBQESA-N 1 0 198.310 1.195 20 0 ADADRO CCC[C@@H](C)C(=O)N1CC([NH+](C)C)C1 677844369 486904863 /nfs/dbraw/zinc/90/48/63/486904863.db2.gz FPTNWMLCDOTTFZ-SECBINFHSA-N 1 0 198.310 1.195 20 0 ADADRO CC(C)CCC(=O)N1CC([NH+](C)C)C1 677844437 486904874 /nfs/dbraw/zinc/90/48/74/486904874.db2.gz YSSCFNGCVPAXPY-UHFFFAOYSA-N 1 0 198.310 1.195 20 0 ADADRO CCC[C@H](O)C[N@H+](C)CCOCC 87978894 486904960 /nfs/dbraw/zinc/90/49/60/486904960.db2.gz YDYWLUULXNKTOP-JTQLQIEISA-N 1 0 189.299 1.116 20 0 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CCCC[NH+]1CCN(C(C)C)CC1 138851573 486946920 /nfs/dbraw/zinc/94/69/20/486946920.db2.gz ZFXVZOYIQORFGP-UHFFFAOYSA-N 1 0 184.327 1.813 20 0 ADADRO CC(C)=CCC[N@@H+]1CCC[C@@H]1CO 139143846 486947072 /nfs/dbraw/zinc/94/70/72/486947072.db2.gz QBLQAAADGCOXDW-LLVKDONJSA-N 1 0 183.295 1.799 20 0 ADADRO CC(C)=CCC[N@@H+]1CCC[C@H]1CO 139143988 486947118 /nfs/dbraw/zinc/94/71/18/486947118.db2.gz QBLQAAADGCOXDW-NSHDSACASA-N 1 0 183.295 1.799 20 0 ADADRO CC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCO 138679847 486947127 /nfs/dbraw/zinc/94/71/27/486947127.db2.gz YEUYZWJCGLDVPZ-PBINXNQUSA-N 1 0 169.268 1.242 20 0 ADADRO CC[N@H+](CCCn1ccnc1)C1CC1 678805319 486947184 /nfs/dbraw/zinc/94/71/84/486947184.db2.gz RANCMWSFXPHIIR-UHFFFAOYSA-N 1 0 193.294 1.758 20 0 ADADRO CC(C)N1CC[C@H]([N@H+](C)CC2CC2)C1 678818755 486947138 /nfs/dbraw/zinc/94/71/38/486947138.db2.gz XYHOOZVLIRZKBW-LBPRGKRZSA-N 1 0 196.338 1.811 20 0 ADADRO CC(C)N1CC[C@@H]([N@H+](C)CC2CC2)C1 678818754 486947237 /nfs/dbraw/zinc/94/72/37/486947237.db2.gz 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486989714 /nfs/dbraw/zinc/98/97/14/486989714.db2.gz TXLKYZXVFJKZQW-YUMQZZPRSA-N 1 0 186.299 1.275 20 0 ADADRO CCCCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] 164971871 486989783 /nfs/dbraw/zinc/98/97/83/486989783.db2.gz HSOMDNYIPPVOST-DTWKUNHWSA-N 1 0 186.299 1.276 20 0 ADADRO C[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 164949593 486989801 /nfs/dbraw/zinc/98/98/01/486989801.db2.gz QPOHYOLMSCWYKE-OPRDCNLKSA-N 1 0 198.310 1.228 20 0 ADADRO CCC(CC)NC(=O)[C@H](C)[C@@H](C)[NH3+] 164944314 486989804 /nfs/dbraw/zinc/98/98/04/486989804.db2.gz NFARTQWHJLBFJH-HTQZYQBOSA-N 1 0 186.299 1.275 20 0 ADADRO NCC(F)(F)C[NH2+]C1CCCCC1 164944344 486989810 /nfs/dbraw/zinc/98/98/10/486989810.db2.gz LSWIXCLOLBJEIK-UHFFFAOYSA-N 1 0 192.253 1.503 20 0 ADADRO CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1CC1 165090541 486990081 /nfs/dbraw/zinc/99/00/81/486990081.db2.gz XGONBFDXDYGPSQ-DTWKUNHWSA-N 1 0 198.310 1.371 20 0 ADADRO C[C@H](Cn1cncn1)[NH2+][C@H](C)C1CC1 165275660 486990151 /nfs/dbraw/zinc/99/01/51/486990151.db2.gz IBZQJOQOKANZPO-RKDXNWHRSA-N 1 0 194.282 1.055 20 0 ADADRO CC[C@@H]1CCCN1C(=O)[C@H](C)[C@@H](C)[NH3+] 165315449 486990184 /nfs/dbraw/zinc/99/01/84/486990184.db2.gz JYYXEWWCQSDXRC-OPRDCNLKSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] 164977856 486990195 /nfs/dbraw/zinc/99/01/95/486990195.db2.gz PSBQDQCSMNANNJ-DTWKUNHWSA-N 1 0 186.299 1.132 20 0 ADADRO CC(C)(C)CCCNC(=O)CC[NH3+] 165317579 486990208 /nfs/dbraw/zinc/99/02/08/486990208.db2.gz FNSGAIOBSRQCHK-UHFFFAOYSA-N 1 0 186.299 1.278 20 0 ADADRO CC(C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] 164978074 486990274 /nfs/dbraw/zinc/99/02/74/486990274.db2.gz PSBQDQCSMNANNJ-BDAKNGLRSA-N 1 0 186.299 1.132 20 0 ADADRO CC[N@@H+](CCC(=O)NC)CCC1CC1 680635643 486990295 /nfs/dbraw/zinc/99/02/95/486990295.db2.gz BUNXXJAQNZMEBJ-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@@H](Cn1cncn1)[NH2+][C@H](C)C1CC1 165275535 486990334 /nfs/dbraw/zinc/99/03/34/486990334.db2.gz IBZQJOQOKANZPO-DTWKUNHWSA-N 1 0 194.282 1.055 20 0 ADADRO CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1CC1 165090657 486990401 /nfs/dbraw/zinc/99/04/01/486990401.db2.gz XGONBFDXDYGPSQ-RKDXNWHRSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)CCC[NH2+]C[C@H](C)N(C)C 165226951 486990407 /nfs/dbraw/zinc/99/04/07/486990407.db2.gz PVTMTLNXBYECQE-NSHDSACASA-N 1 0 186.343 1.962 20 0 ADADRO CCCCN(C)C(=O)[C@H](C)[C@H](C)[NH3+] 164984804 486990442 /nfs/dbraw/zinc/99/04/42/486990442.db2.gz VHCAEOPOEYMOGM-BDAKNGLRSA-N 1 0 186.299 1.228 20 0 ADADRO CCN(CCC1CC1)C(=O)C[NH+](C)C 680648888 486990446 /nfs/dbraw/zinc/99/04/46/486990446.db2.gz UESFGNZWLWWOFO-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO C1=C(C[NH2+]C[C@@H]2CCCO2)COCC1 165213499 486990449 /nfs/dbraw/zinc/99/04/49/486990449.db2.gz BNAOCKBZRUXILT-NSHDSACASA-N 1 0 197.278 1.102 20 0 ADADRO CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1CC1 165090772 486990467 /nfs/dbraw/zinc/99/04/67/486990467.db2.gz XGONBFDXDYGPSQ-IUCAKERBSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] 164977928 486990475 /nfs/dbraw/zinc/99/04/75/486990475.db2.gz PSBQDQCSMNANNJ-RKDXNWHRSA-N 1 0 186.299 1.132 20 0 ADADRO CC(C)CCC[NH2+]C[C@H](O)C1CC1 165243443 486990496 /nfs/dbraw/zinc/99/04/96/486990496.db2.gz LSGSIPQSBPDWMN-NSHDSACASA-N 1 0 185.311 1.783 20 0 ADADRO CC[C@@H]1CCCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] 165315192 486990508 /nfs/dbraw/zinc/99/05/08/486990508.db2.gz JYYXEWWCQSDXRC-IVZWLZJFSA-N 1 0 198.310 1.371 20 0 ADADRO CCCCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] 164984447 486990517 /nfs/dbraw/zinc/99/05/17/486990517.db2.gz VHCAEOPOEYMOGM-DTWKUNHWSA-N 1 0 186.299 1.228 20 0 ADADRO CC(C)CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] 165091863 486990569 /nfs/dbraw/zinc/99/05/69/486990569.db2.gz LSCDUGCUVRNGAH-DTWKUNHWSA-N 1 0 186.299 1.084 20 0 ADADRO CC(C)CN(C)C(=O)[C@H](C)[C@H](C)[NH3+] 165092232 486990644 /nfs/dbraw/zinc/99/06/44/486990644.db2.gz LSCDUGCUVRNGAH-BDAKNGLRSA-N 1 0 186.299 1.084 20 0 ADADRO CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1CC1 165090890 486990648 /nfs/dbraw/zinc/99/06/48/486990648.db2.gz XGONBFDXDYGPSQ-BDAKNGLRSA-N 1 0 198.310 1.371 20 0 ADADRO CCCCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] 164984577 486990652 /nfs/dbraw/zinc/99/06/52/486990652.db2.gz VHCAEOPOEYMOGM-RKDXNWHRSA-N 1 0 186.299 1.228 20 0 ADADRO CCCCN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] 164984691 486990700 /nfs/dbraw/zinc/99/07/00/486990700.db2.gz VHCAEOPOEYMOGM-IUCAKERBSA-N 1 0 186.299 1.228 20 0 ADADRO CC(C)CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] 165091978 486990705 /nfs/dbraw/zinc/99/07/05/486990705.db2.gz LSCDUGCUVRNGAH-RKDXNWHRSA-N 1 0 186.299 1.084 20 0 ADADRO CC(C)CCC[NH2+]C[C@@H](O)C1CC1 165243562 486990708 /nfs/dbraw/zinc/99/07/08/486990708.db2.gz LSGSIPQSBPDWMN-LLVKDONJSA-N 1 0 185.311 1.783 20 0 ADADRO CC(C)CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] 165092105 486990720 /nfs/dbraw/zinc/99/07/20/486990720.db2.gz LSCDUGCUVRNGAH-IUCAKERBSA-N 1 0 186.299 1.084 20 0 ADADRO CC(C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] 164977998 486990732 /nfs/dbraw/zinc/99/07/32/486990732.db2.gz PSBQDQCSMNANNJ-IUCAKERBSA-N 1 0 186.299 1.132 20 0 ADADRO 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165638604 486991935 /nfs/dbraw/zinc/99/19/35/486991935.db2.gz ROMLRITWDPXZJX-JGVFFNPUSA-N 1 0 186.299 1.275 20 0 ADADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(C)(C)C 165638738 486991959 /nfs/dbraw/zinc/99/19/59/486991959.db2.gz ROMLRITWDPXZJX-HTQZYQBOSA-N 1 0 186.299 1.275 20 0 ADADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCCC1 165645011 486991967 /nfs/dbraw/zinc/99/19/67/486991967.db2.gz CQILOWUNPZHSND-IUCAKERBSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CCCC1 165644888 486992014 /nfs/dbraw/zinc/99/20/14/486992014.db2.gz CQILOWUNPZHSND-RKDXNWHRSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)CCCN(C)[C@@H]1CC[NH2+]C1 165541865 486992085 /nfs/dbraw/zinc/99/20/85/486992085.db2.gz WKSRPLJPTNTEPE-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO CC(C)CCCN(C)[C@H]1CC[NH2+]C1 165541998 486992123 /nfs/dbraw/zinc/99/21/23/486992123.db2.gz WKSRPLJPTNTEPE-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] 165654284 486992095 /nfs/dbraw/zinc/99/20/95/486992095.db2.gz NHJFDMDXJOUHNM-DJLDLDEBSA-N 1 0 186.299 1.275 20 0 ADADRO CCCC(=O)N[C@@H](C)C[C@H](C)[NH3+] 165647521 486992258 /nfs/dbraw/zinc/99/22/58/486992258.db2.gz FZMIAKXRSJSWBQ-YUMQZZPRSA-N 1 0 172.272 1.029 20 0 ADADRO CC(C)CCCN(C)C1C[NH2+]C1 165547678 486992316 /nfs/dbraw/zinc/99/23/16/486992316.db2.gz PFAZOVMIPMUPTQ-UHFFFAOYSA-N 1 0 170.300 1.326 20 0 ADADRO CC[C@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] 165654030 486992348 /nfs/dbraw/zinc/99/23/48/486992348.db2.gz NHJFDMDXJOUHNM-YIZRAAEISA-N 1 0 186.299 1.275 20 0 ADADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCC1 165669800 486992419 /nfs/dbraw/zinc/99/24/19/486992419.db2.gz MHGRGZGWDFSTNW-YUMQZZPRSA-N 1 0 184.283 1.029 20 0 ADADRO CCCC(=O)N[C@H](C)C[C@@H](C)[NH3+] 165647405 486992476 /nfs/dbraw/zinc/99/24/76/486992476.db2.gz FZMIAKXRSJSWBQ-HTQZYQBOSA-N 1 0 172.272 1.029 20 0 ADADRO CCCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] 165647287 486992479 /nfs/dbraw/zinc/99/24/79/486992479.db2.gz FZMIAKXRSJSWBQ-SFYZADRCSA-N 1 0 172.272 1.029 20 0 ADADRO C[C@@H](C[C@@H](C)[NH3+])NC(=O)C1CCC1 165669918 486992507 /nfs/dbraw/zinc/99/25/07/486992507.db2.gz MHGRGZGWDFSTNW-SFYZADRCSA-N 1 0 184.283 1.029 20 0 ADADRO C[C@@H](C[C@@H](C)[NH3+])NC(=O)C1CCCC1 165645124 486992522 /nfs/dbraw/zinc/99/25/22/486992522.db2.gz CQILOWUNPZHSND-BDAKNGLRSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(C)(C)C 165638858 486992587 /nfs/dbraw/zinc/99/25/87/486992587.db2.gz ROMLRITWDPXZJX-YUMQZZPRSA-N 1 0 186.299 1.275 20 0 ADADRO C[C@H]([NH3+])C[C@@H](C)NC(=O)C1CCCC1 165644756 486992642 /nfs/dbraw/zinc/99/26/42/486992642.db2.gz CQILOWUNPZHSND-DTWKUNHWSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@H]([NH3+])C[C@@H](C)NC(=O)C1CCC1 165669544 486992646 /nfs/dbraw/zinc/99/26/46/486992646.db2.gz MHGRGZGWDFSTNW-JGVFFNPUSA-N 1 0 184.283 1.029 20 0 ADADRO C[C@@H](C[C@@H](C)[NH3+])NC(=O)C(C)(C)C 165638987 486992658 /nfs/dbraw/zinc/99/26/58/486992658.db2.gz ROMLRITWDPXZJX-SFYZADRCSA-N 1 0 186.299 1.275 20 0 ADADRO CCCC(=O)N[C@H](C)C[C@H](C)[NH3+] 165647639 486992695 /nfs/dbraw/zinc/99/26/95/486992695.db2.gz FZMIAKXRSJSWBQ-JGVFFNPUSA-N 1 0 172.272 1.029 20 0 ADADRO CC(C)[N@@H+]1CCn2cncc2C1 165594372 486992720 /nfs/dbraw/zinc/99/27/20/486992720.db2.gz ROESZUKOSCFUPW-UHFFFAOYSA-N 1 0 165.240 1.107 20 0 ADADRO CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] 165682489 486993315 /nfs/dbraw/zinc/99/33/15/486993315.db2.gz AYCVUEJQWDXNIP-BDAKNGLRSA-N 1 0 186.299 1.419 20 0 ADADRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccoc1 165679308 486993106 /nfs/dbraw/zinc/99/31/06/486993106.db2.gz GYPABEASFWBEMX-YUMQZZPRSA-N 1 0 196.250 1.135 20 0 ADADRO CCCCC(=O)N[C@H](C)C[C@H](C)[NH3+] 165682850 486993180 /nfs/dbraw/zinc/99/31/80/486993180.db2.gz AYCVUEJQWDXNIP-DTWKUNHWSA-N 1 0 186.299 1.419 20 0 ADADRO C[C@@H](C[C@@H](C)[NH3+])NC(=O)c1ccoc1 165679434 486993254 /nfs/dbraw/zinc/99/32/54/486993254.db2.gz GYPABEASFWBEMX-SFYZADRCSA-N 1 0 196.250 1.135 20 0 ADADRO C[C@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](C)C1CC1 165678072 486993273 /nfs/dbraw/zinc/99/32/73/486993273.db2.gz 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1.433 20 0 ADADRO CCCN(C)C(=O)[C@]1(CC)CCC[NH2+]1 215604683 487026735 /nfs/dbraw/zinc/02/67/35/487026735.db2.gz ZMTVRYYWESNCQW-NSHDSACASA-N 1 0 198.310 1.387 20 0 ADADRO CC[C@@]1(C(=O)NCC(C)C)CCC[NH2+]1 215677135 487026771 /nfs/dbraw/zinc/02/67/71/487026771.db2.gz OQVZFUQVDOTGAR-NSHDSACASA-N 1 0 198.310 1.291 20 0 ADADRO CCCNC(=O)[C@@]1(CC)CCC[NH2+]1 215611575 487026775 /nfs/dbraw/zinc/02/67/75/487026775.db2.gz JEXZOTLMQGCKLA-SNVBAGLBSA-N 1 0 184.283 1.045 20 0 ADADRO CCCN(C)C(=O)[C@@]1(CC)CCC[NH2+]1 215604730 487026794 /nfs/dbraw/zinc/02/67/94/487026794.db2.gz ZMTVRYYWESNCQW-LLVKDONJSA-N 1 0 198.310 1.387 20 0 ADADRO CC1(C)C[C@H]([NH2+]CCCF)CCO1 215702946 487026806 /nfs/dbraw/zinc/02/68/06/487026806.db2.gz UJUWUPWVVLSFBR-SECBINFHSA-N 1 0 189.274 1.893 20 0 ADADRO CC[C@@]1(C(=O)NC2CCC2)CCC[NH2+]1 215351099 487026814 /nfs/dbraw/zinc/02/68/14/487026814.db2.gz OYGRWLJRQIJCEC-NSHDSACASA-N 1 0 196.294 1.187 20 0 ADADRO CC[C@]1(C(=O)NCC2CC2)CCC[NH2+]1 215595301 487026827 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CO[C@@H](C)C[NH2+][C@H](C)[C@@H](C)OC 223916251 487037212 /nfs/dbraw/zinc/03/72/12/487037212.db2.gz WKKMFZUWFUTXMB-DJLDLDEBSA-N 1 0 175.272 1.034 20 0 ADADRO CO[C@H](C)C[NH2+][C@H](C)[C@@H](C)OC 223916314 487037237 /nfs/dbraw/zinc/03/72/37/487037237.db2.gz WKKMFZUWFUTXMB-IWSPIJDZSA-N 1 0 175.272 1.034 20 0 ADADRO CO[C@H](C)C[NH2+]Cc1ccc(C)cn1 223891026 487037263 /nfs/dbraw/zinc/03/72/63/487037263.db2.gz NUKFPICOORQKPG-SNVBAGLBSA-N 1 0 194.278 1.515 20 0 ADADRO CO[C@@H](C)C[NH2+][C@H]1CCCOCC1 223971877 487037280 /nfs/dbraw/zinc/03/72/80/487037280.db2.gz MHTBBGHJPWGNKQ-UWVGGRQHSA-N 1 0 187.283 1.180 20 0 ADADRO CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 223946871 487037333 /nfs/dbraw/zinc/03/73/33/487037333.db2.gz JIFJKZZVKCITPJ-GHMZBOCLSA-N 1 0 185.311 1.879 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H]1CCSC1 223934216 487037456 /nfs/dbraw/zinc/03/74/56/487037456.db2.gz GRJJVOBQQWGADY-JGVFFNPUSA-N 1 0 175.297 1.116 20 0 ADADRO CO[C@H](C)C[NH2+][C@@H]1CCSC1 223934271 487037483 /nfs/dbraw/zinc/03/74/83/487037483.db2.gz GRJJVOBQQWGADY-HTQZYQBOSA-N 1 0 175.297 1.116 20 0 ADADRO CO[C@@H](C)C[NH2+][C@H]1CCO[C@@H](C)C1 223891230 487037573 /nfs/dbraw/zinc/03/75/73/487037573.db2.gz BDJRGBGVWOZSMA-GUBZILKMSA-N 1 0 187.283 1.178 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H](C)[C@@H](C)OC 223916125 487037603 /nfs/dbraw/zinc/03/76/03/487037603.db2.gz WKKMFZUWFUTXMB-XHNCKOQMSA-N 1 0 175.272 1.034 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H]1CCO[C@@H](C)C1 223891106 487037632 /nfs/dbraw/zinc/03/76/32/487037632.db2.gz BDJRGBGVWOZSMA-LPEHRKFASA-N 1 0 187.283 1.178 20 0 ADADRO CO[C@H](C)C[NH2+][C@@H](C)[C@@H](C)OC 223916183 487037642 /nfs/dbraw/zinc/03/76/42/487037642.db2.gz WKKMFZUWFUTXMB-HRDYMLBCSA-N 1 0 175.272 1.034 20 0 ADADRO CO[C@H](C)C[NH2+][C@H]1CS[C@@H](C)C1 223949594 487037681 /nfs/dbraw/zinc/03/76/81/487037681.db2.gz VEXXMEYUGPRHQT-HRDYMLBCSA-N 1 0 189.324 1.505 20 0 ADADRO CCc1ccc(C[NH2+]C[C@H](C)OC)o1 224004762 487038057 /nfs/dbraw/zinc/03/80/57/487038057.db2.gz RUROPTXBXKIQQK-VIFPVBQESA-N 1 0 197.278 1.967 20 0 ADADRO CC[C@@H]([NH2+]C[C@H](C)OC)C1CC1 223987891 487038173 /nfs/dbraw/zinc/03/81/73/487038173.db2.gz NCBFSALFIRJZEO-WCBMZHEXSA-N 1 0 171.284 1.800 20 0 ADADRO CCc1ccc(C[NH2+]C[C@@H](C)OC)o1 224004712 487038209 /nfs/dbraw/zinc/03/82/09/487038209.db2.gz RUROPTXBXKIQQK-SECBINFHSA-N 1 0 197.278 1.967 20 0 ADADRO CO[C@H](C)C[NH2+][C@@H](C)c1cnccn1 223995006 487038222 /nfs/dbraw/zinc/03/82/22/487038222.db2.gz JESRRPPIDDQNOL-BDAKNGLRSA-N 1 0 195.266 1.162 20 0 ADADRO CO[C@@H](C)C[NH2+][C@H](C)c1cnccn1 223995054 487038283 /nfs/dbraw/zinc/03/82/83/487038283.db2.gz JESRRPPIDDQNOL-DTWKUNHWSA-N 1 0 195.266 1.162 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H](C)c1cnccn1 223994946 487038295 /nfs/dbraw/zinc/03/82/95/487038295.db2.gz JESRRPPIDDQNOL-IUCAKERBSA-N 1 0 195.266 1.162 20 0 ADADRO CC[C@H]([NH2+]C[C@H](C)OC)C1CC1 223987944 487038308 /nfs/dbraw/zinc/03/83/08/487038308.db2.gz NCBFSALFIRJZEO-WPRPVWTQSA-N 1 0 171.284 1.800 20 0 ADADRO CCn1cc(C[NH2+]C[C@@H](C)OC)cn1 224169293 487038329 /nfs/dbraw/zinc/03/83/29/487038329.db2.gz LFJJTMUSRWQSLK-SECBINFHSA-N 1 0 197.282 1.028 20 0 ADADRO CCn1cc(C[NH2+]C[C@H](C)OC)cn1 224169353 487038342 /nfs/dbraw/zinc/03/83/42/487038342.db2.gz LFJJTMUSRWQSLK-VIFPVBQESA-N 1 0 197.282 1.028 20 0 ADADRO c1n[nH]cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 681755091 487038393 /nfs/dbraw/zinc/03/83/93/487038393.db2.gz NKHHWQKENNFXAN-GHMZBOCLSA-N 1 0 191.278 1.784 20 0 ADADRO c1n[nH]cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 681755093 487038414 /nfs/dbraw/zinc/03/84/14/487038414.db2.gz NKHHWQKENNFXAN-MNOVXSKESA-N 1 0 191.278 1.784 20 0 ADADRO CCOC1CC([NH2+]C[C@H](C)OC)C1 224013463 487038444 /nfs/dbraw/zinc/03/84/44/487038444.db2.gz PJQFMQMWNHQMDX-IDKOKCKLSA-N 1 0 187.283 1.178 20 0 ADADRO CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 224110091 487038452 /nfs/dbraw/zinc/03/84/52/487038452.db2.gz ZUNKSIZRSALEFS-CIUDSAMLSA-N 1 0 141.258 1.983 20 0 ADADRO c1n[nH]cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 681755096 487038455 /nfs/dbraw/zinc/03/84/55/487038455.db2.gz NKHHWQKENNFXAN-WDEREUQCSA-N 1 0 191.278 1.784 20 0 ADADRO c1n[nH]cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 681755094 487038496 /nfs/dbraw/zinc/03/84/96/487038496.db2.gz NKHHWQKENNFXAN-QWRGUYRKSA-N 1 0 191.278 1.784 20 0 ADADRO CO[C@H](C)C[NH2+][C@H](C)c1cnccn1 223995101 487038546 /nfs/dbraw/zinc/03/85/46/487038546.db2.gz JESRRPPIDDQNOL-RKDXNWHRSA-N 1 0 195.266 1.162 20 0 ADADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H]1C 224261372 487038566 /nfs/dbraw/zinc/03/85/66/487038566.db2.gz YGGTUKWVNRDXTB-AEJSXWLSSA-N 1 0 198.310 1.132 20 0 ADADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C 224261320 487038824 /nfs/dbraw/zinc/03/88/24/487038824.db2.gz YGGTUKWVNRDXTB-IVZWLZJFSA-N 1 0 198.310 1.132 20 0 ADADRO CCOC1CC([NH2+]C[C@@H](C)OC)C1 224013401 487039009 /nfs/dbraw/zinc/03/90/09/487039009.db2.gz PJQFMQMWNHQMDX-XNWIYYODSA-N 1 0 187.283 1.178 20 0 ADADRO COC[C@H](C)[NH2+]C[C@H]1CCSC1 224277109 487039211 /nfs/dbraw/zinc/03/92/11/487039211.db2.gz YFKKMSOUZHZWDR-DTWKUNHWSA-N 1 0 189.324 1.364 20 0 ADADRO CO[C@@H](C)CNc1cc(C)cc[nH+]1 224329729 487039230 /nfs/dbraw/zinc/03/92/30/487039230.db2.gz XRKCJAUTWJGGME-VIFPVBQESA-N 1 0 180.251 1.837 20 0 ADADRO CC[C@H](O)C[NH2+]C[C@H]1CCSC1 224472497 487039298 /nfs/dbraw/zinc/03/92/98/487039298.db2.gz QRKNKMWDBRDKJB-BDAKNGLRSA-N 1 0 189.324 1.100 20 0 ADADRO CC(C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C 681789632 487039354 /nfs/dbraw/zinc/03/93/54/487039354.db2.gz XFFJCGMIFANIJY-NXEZZACHSA-N 1 0 198.310 1.241 20 0 ADADRO CC[C@@H](O)C[NH2+]C[C@@H]1CCSC1 224472344 487039370 /nfs/dbraw/zinc/03/93/70/487039370.db2.gz QRKNKMWDBRDKJB-DTWKUNHWSA-N 1 0 189.324 1.100 20 0 ADADRO CO[C@@H](C)C[NH2+]C[C@H]1CCSC1 224482221 487039571 /nfs/dbraw/zinc/03/95/71/487039571.db2.gz QEQPGWAWTGQGKV-DTWKUNHWSA-N 1 0 189.324 1.364 20 0 ADADRO CCCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C 681789567 487039609 /nfs/dbraw/zinc/03/96/09/487039609.db2.gz VOGRJARYSNJPSJ-NXEZZACHSA-N 1 0 198.310 1.385 20 0 ADADRO CO[C@@H](C)CNc1cc[nH+]cc1C 224330098 487039704 /nfs/dbraw/zinc/03/97/04/487039704.db2.gz FBUYJWZYVXFWDY-VIFPVBQESA-N 1 0 180.251 1.837 20 0 ADADRO CC[C@@H](O)C[NH2+]C[C@H]1CCSC1 224472443 487039790 /nfs/dbraw/zinc/03/97/90/487039790.db2.gz QRKNKMWDBRDKJB-RKDXNWHRSA-N 1 0 189.324 1.100 20 0 ADADRO COC[C@H](C)[NH2+]C[C@@H]1CCSC1 224277022 487039817 /nfs/dbraw/zinc/03/98/17/487039817.db2.gz YFKKMSOUZHZWDR-IUCAKERBSA-N 1 0 189.324 1.364 20 0 ADADRO CCOC1CC([NH2+][C@@H]2CCC[C@H]2O)C1 224427214 487039747 /nfs/dbraw/zinc/03/97/47/487039747.db2.gz DTZGARAIRRNDRY-JPPWEJMLSA-N 1 0 199.294 1.057 20 0 ADADRO CO[C@H](C)C[NH2+]C[C@H]1CCSC1 224482273 487039870 /nfs/dbraw/zinc/03/98/70/487039870.db2.gz QEQPGWAWTGQGKV-RKDXNWHRSA-N 1 0 189.324 1.364 20 0 ADADRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CC1 224423474 487039947 /nfs/dbraw/zinc/03/99/47/487039947.db2.gz NJHRXNCGTIDXEP-JMJZKYOTSA-N 1 0 183.295 1.942 20 0 ADADRO CO[C@H](C)CNc1cc(C)cc[nH+]1 224329771 487040003 /nfs/dbraw/zinc/04/00/03/487040003.db2.gz XRKCJAUTWJGGME-SECBINFHSA-N 1 0 180.251 1.837 20 0 ADADRO CO[C@@H](C)C[NH2+]C[C@@H]1CCSC1 224482122 487040044 /nfs/dbraw/zinc/04/00/44/487040044.db2.gz QEQPGWAWTGQGKV-IUCAKERBSA-N 1 0 189.324 1.364 20 0 ADADRO CO[C@H](C)CNc1cc[nH+]cc1C 224330151 487040089 /nfs/dbraw/zinc/04/00/89/487040089.db2.gz FBUYJWZYVXFWDY-SECBINFHSA-N 1 0 180.251 1.837 20 0 ADADRO CO[C@H](C)C[NH2+]C[C@@H]1CCSC1 224482172 487040118 /nfs/dbraw/zinc/04/01/18/487040118.db2.gz QEQPGWAWTGQGKV-BDAKNGLRSA-N 1 0 189.324 1.364 20 0 ADADRO CC[C@H](O)C[NH2+]C[C@@H]1CCSC1 224472395 487040133 /nfs/dbraw/zinc/04/01/33/487040133.db2.gz QRKNKMWDBRDKJB-IUCAKERBSA-N 1 0 189.324 1.100 20 0 ADADRO CC(C)OCCCC[NH2+]C[C@H](C)O 225179723 487040582 /nfs/dbraw/zinc/04/05/82/487040582.db2.gz OTKPLBOOLXGWCQ-JTQLQIEISA-N 1 0 189.299 1.162 20 0 ADADRO Cc1cc(N)ccc1C1=CC[NH2+]CC1 224831688 487040606 /nfs/dbraw/zinc/04/06/06/487040606.db2.gz ZMBKECBAOKLQPT-UHFFFAOYSA-N 1 0 188.274 1.954 20 0 ADADRO CC[C@H](C)C[N@@H+]1CCC[C@@H](O)C1 224525802 487040647 /nfs/dbraw/zinc/04/06/47/487040647.db2.gz GOFMLFKNVVYJBI-VHSXEESVSA-N 1 0 171.284 1.489 20 0 ADADRO C[C@H]1[C@H](C)CCCN1C(=O)[C@H](C)C[NH3+] 224700365 487040686 /nfs/dbraw/zinc/04/06/86/487040686.db2.gz RJZXOJXRDCOYGI-BBBLOLIVSA-N 1 0 198.310 1.228 20 0 ADADRO CCC(C)(C)CC(=O)N(C)CC[NH3+] 224603569 487040781 /nfs/dbraw/zinc/04/07/81/487040781.db2.gz QKRSNGOFFJUBCC-UHFFFAOYSA-N 1 0 186.299 1.230 20 0 ADADRO C[NH2+]CCC[N@@H+]1CCC[C@H](C)[C@@H]1C 224716096 487040872 /nfs/dbraw/zinc/04/08/72/487040872.db2.gz CPFYSOWKGWFGJI-QWRGUYRKSA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@H](C)C[NH+]1C[C@H](C)N[C@@H](C)C1 225147903 487040954 /nfs/dbraw/zinc/04/09/54/487040954.db2.gz ACOLWMAHQMDJRN-DCAQKATOSA-N 1 0 184.327 1.715 20 0 ADADRO CCC(C)(C)CC(=O)NCC[NH2+]C 224603316 487040965 /nfs/dbraw/zinc/04/09/65/487040965.db2.gz GHFQBRJXQCKBLB-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO C[C@H]1CCCN(C(=O)[C@H](C)C[NH3+])[C@H]1C 224700407 487041007 /nfs/dbraw/zinc/04/10/07/487041007.db2.gz RJZXOJXRDCOYGI-AEJSXWLSSA-N 1 0 198.310 1.228 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](C)C1 225099079 487041030 /nfs/dbraw/zinc/04/10/30/487041030.db2.gz LLKUDZSYZRIBGU-GMTAPVOTSA-N 1 0 185.311 1.926 20 0 ADADRO CCC(CC)(CC)C(=O)NCC[NH3+] 224593699 487041064 /nfs/dbraw/zinc/04/10/64/487041064.db2.gz CCMWGXIDHZGTDM-UHFFFAOYSA-N 1 0 186.299 1.278 20 0 ADADRO CC(C)OCCCC[NH2+]C[C@@H](C)O 225179686 487041065 /nfs/dbraw/zinc/04/10/65/487041065.db2.gz OTKPLBOOLXGWCQ-SNVBAGLBSA-N 1 0 189.299 1.162 20 0 ADADRO CC[C@H](O)C[N@H+](CC)[C@@H](C)CC 225110816 487041072 /nfs/dbraw/zinc/04/10/72/487041072.db2.gz IVCSFDCWLRENSB-UWVGGRQHSA-N 1 0 173.300 1.878 20 0 ADADRO CCN1CC[NH+](C(C)(C)CC)CC1 224557559 487041078 /nfs/dbraw/zinc/04/10/78/487041078.db2.gz SWRMCRYLQTXRJD-UHFFFAOYSA-N 1 0 184.327 1.813 20 0 ADADRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCN 225138220 487041079 /nfs/dbraw/zinc/04/10/79/487041079.db2.gz ILKNDZFFIZSMJP-UTUOFQBUSA-N 1 0 198.354 1.996 20 0 ADADRO 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CBFDGBBOLBRYIT-LNFKQOIKSA-N 1 0 199.294 1.057 20 0 ADADRO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 229585090 487067619 /nfs/dbraw/zinc/06/76/19/487067619.db2.gz CLUYUJXIGJIJJE-HBNTYKKESA-N 1 0 199.294 1.059 20 0 ADADRO COCC[N@H+](C)C[C@H]1CC[C@@H](C)O1 682754973 487067625 /nfs/dbraw/zinc/06/76/25/487067625.db2.gz MGFWWBKKNVMDKQ-NXEZZACHSA-N 1 0 187.283 1.132 20 0 ADADRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(N)=O 229622920 487067667 /nfs/dbraw/zinc/06/76/67/487067667.db2.gz IRQKAMIHNOEENI-IUCAKERBSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@H]1CCC[C@H]1[NH2+]CCC(N)=O 229622942 487067783 /nfs/dbraw/zinc/06/77/83/487067783.db2.gz IRQKAMIHNOEENI-DTWKUNHWSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(N)=O 229622907 487067949 /nfs/dbraw/zinc/06/79/49/487067949.db2.gz IRQKAMIHNOEENI-BDAKNGLRSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(N)=O 229622929 487067993 /nfs/dbraw/zinc/06/79/93/487067993.db2.gz IRQKAMIHNOEENI-RKDXNWHRSA-N 1 0 184.283 1.030 20 0 ADADRO CO[C@H]1CC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 682760822 487068092 /nfs/dbraw/zinc/06/80/92/487068092.db2.gz QPAJJCKTQPHTIA-DCAQKATOSA-N 1 0 199.294 1.275 20 0 ADADRO CC1=CC[N@H+](CCC[C@@H](C)O)CC1 682768084 487068157 /nfs/dbraw/zinc/06/81/57/487068157.db2.gz WTYHCHMTXXGEDJ-LLVKDONJSA-N 1 0 183.295 1.799 20 0 ADADRO C[C@H](O)CCC[N@H+](C)Cc1cn[nH]c1 682765689 487068245 /nfs/dbraw/zinc/06/82/45/487068245.db2.gz DUTKWLXMPLQZCC-VIFPVBQESA-N 1 0 197.282 1.003 20 0 ADADRO CC1=CC[N@H+](CCC[C@H](C)O)CC1 682768085 487068395 /nfs/dbraw/zinc/06/83/95/487068395.db2.gz WTYHCHMTXXGEDJ-NSHDSACASA-N 1 0 183.295 1.799 20 0 ADADRO CC[C@@H](C)n1cc(CCC[NH3+])nn1 229831110 487068491 /nfs/dbraw/zinc/06/84/91/487068491.db2.gz ONZNYFRBNSEQPG-MRVPVSSYSA-N 1 0 182.271 1.140 20 0 ADADRO CO[C@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 682760824 487068587 /nfs/dbraw/zinc/06/85/87/487068587.db2.gz QPAJJCKTQPHTIA-OUAUKWLOSA-N 1 0 199.294 1.275 20 0 ADADRO C[C@@H](O)CCC[N@H+](C)Cc1cn[nH]c1 682765687 487068735 /nfs/dbraw/zinc/06/87/35/487068735.db2.gz DUTKWLXMPLQZCC-SECBINFHSA-N 1 0 197.282 1.003 20 0 ADADRO CC(C)CCn1cc(CCC[NH3+])nn1 229828250 487068753 /nfs/dbraw/zinc/06/87/53/487068753.db2.gz BMJKFVCDCXMTDO-UHFFFAOYSA-N 1 0 196.298 1.216 20 0 ADADRO CO[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 682760825 487068760 /nfs/dbraw/zinc/06/87/60/487068760.db2.gz QPAJJCKTQPHTIA-VWYCJHECSA-N 1 0 199.294 1.275 20 0 ADADRO CCCCCn1cc(CCC[NH3+])nn1 229830919 487068871 /nfs/dbraw/zinc/06/88/71/487068871.db2.gz TWSSVUDFVHGNPV-UHFFFAOYSA-N 1 0 196.298 1.360 20 0 ADADRO CC[C@H](C)n1cc(CCC[NH3+])nn1 229831115 487068951 /nfs/dbraw/zinc/06/89/51/487068951.db2.gz ONZNYFRBNSEQPG-QMMMGPOBSA-N 1 0 182.271 1.140 20 0 ADADRO CC[C@H](C)Cn1cc(CCC[NH3+])nn1 229829310 487068960 /nfs/dbraw/zinc/06/89/60/487068960.db2.gz ZXILSHBEWURZQW-VIFPVBQESA-N 1 0 196.298 1.216 20 0 ADADRO CO[C@H]1CC[N@H+](C[C@H]2CC[C@H](C)O2)C1 682760823 487069024 /nfs/dbraw/zinc/06/90/24/487069024.db2.gz QPAJJCKTQPHTIA-GARJFASQSA-N 1 0 199.294 1.275 20 0 ADADRO [NH3+]CCCc1cn(C2CCCC2)nn1 229834307 487069072 /nfs/dbraw/zinc/06/90/72/487069072.db2.gz AKZZPZCWXRKIMD-UHFFFAOYSA-N 1 0 194.282 1.285 20 0 ADADRO CC[C@@H](C)Cn1cc(CCC[NH3+])nn1 229829302 487069097 /nfs/dbraw/zinc/06/90/97/487069097.db2.gz ZXILSHBEWURZQW-SECBINFHSA-N 1 0 196.298 1.216 20 0 ADADRO CCCn1cc([C@H]([NH3+])CC)nn1 229933627 487069428 /nfs/dbraw/zinc/06/94/28/487069428.db2.gz LCCRBYUUMNNXRS-SSDOTTSWSA-N 1 0 168.244 1.098 20 0 ADADRO CC[C@@H]([NH3+])c1cn(C(C)(C)C)nn1 229945083 487069468 /nfs/dbraw/zinc/06/94/68/487069468.db2.gz RIFHSZBCOKTTEY-SSDOTTSWSA-N 1 0 182.271 1.443 20 0 ADADRO CC[C@H]([NH3+])c1cn(C[C@H](C)CC)nn1 229936126 487069527 /nfs/dbraw/zinc/06/95/27/487069527.db2.gz QNTZFJJPFVWXNF-BDAKNGLRSA-N 1 0 196.298 1.734 20 0 ADADRO CC[C@@H]([NH3+])c1cn(CC2CC2)nn1 229934731 487069610 /nfs/dbraw/zinc/06/96/10/487069610.db2.gz NOFXWWFGKOBPPU-MRVPVSSYSA-N 1 0 180.255 1.098 20 0 ADADRO CC[C@H]([NH3+])c1cn([C@H](C)CC)nn1 229935282 487069624 /nfs/dbraw/zinc/06/96/24/487069624.db2.gz HWRMNJGTHUXOFN-SFYZADRCSA-N 1 0 182.271 1.659 20 0 ADADRO CC[C@H]([NH3+])c1cn(CC2CC2)nn1 229934735 487069640 /nfs/dbraw/zinc/06/96/40/487069640.db2.gz NOFXWWFGKOBPPU-QMMMGPOBSA-N 1 0 180.255 1.098 20 0 ADADRO CC[C@H]([NH3+])c1cn(CCC2CC2)nn1 229937016 487069656 /nfs/dbraw/zinc/06/96/56/487069656.db2.gz CJLNORCWPOLKPT-VIFPVBQESA-N 1 0 194.282 1.488 20 0 ADADRO CC[C@H]([NH3+])c1cn([C@@H](C)CC)nn1 229935289 487069762 /nfs/dbraw/zinc/06/97/62/487069762.db2.gz HWRMNJGTHUXOFN-YUMQZZPRSA-N 1 0 182.271 1.659 20 0 ADADRO CCCCn1cc([C@@H]([NH3+])CC)nn1 229935212 487069773 /nfs/dbraw/zinc/06/97/73/487069773.db2.gz UBVCTTRZESLAER-QMMMGPOBSA-N 1 0 182.271 1.488 20 0 ADADRO CC[C@@H](C)Cn1cc([C@H]([NH3+])CC)nn1 229936134 487069789 /nfs/dbraw/zinc/06/97/89/487069789.db2.gz QNTZFJJPFVWXNF-RKDXNWHRSA-N 1 0 196.298 1.734 20 0 ADADRO CC[C@H](C)n1cc([C@H]([NH3+])CC)nn1 229935299 487069906 /nfs/dbraw/zinc/06/99/06/487069906.db2.gz HWRMNJGTHUXOFN-JGVFFNPUSA-N 1 0 182.271 1.659 20 0 ADADRO CC[C@@H]([NH3+])c1cn(CCC(C)C)nn1 229936306 487069957 /nfs/dbraw/zinc/06/99/57/487069957.db2.gz XUFBLFVDZBTTIN-SECBINFHSA-N 1 0 196.298 1.734 20 0 ADADRO CC[C@H]([NH3+])c1cn(C(C)(C)C)nn1 229945086 487069982 /nfs/dbraw/zinc/06/99/82/487069982.db2.gz RIFHSZBCOKTTEY-ZETCQYMHSA-N 1 0 182.271 1.443 20 0 ADADRO CC[C@H](C)Cn1cc([C@@H]([NH3+])CC)nn1 229936131 487070068 /nfs/dbraw/zinc/07/00/68/487070068.db2.gz QNTZFJJPFVWXNF-IUCAKERBSA-N 1 0 196.298 1.734 20 0 ADADRO CCn1ccc(C[N@H+](C)CCOC)c1 682777972 487070095 /nfs/dbraw/zinc/07/00/95/487070095.db2.gz OMTWNZNCJRZWRJ-UHFFFAOYSA-N 1 0 196.294 1.586 20 0 ADADRO CC[C@H]([NH3+])c1cn(CCC(C)C)nn1 229936310 487070103 /nfs/dbraw/zinc/07/01/03/487070103.db2.gz XUFBLFVDZBTTIN-VIFPVBQESA-N 1 0 196.298 1.734 20 0 ADADRO CCCCCn1cc([C@@H]([NH3+])CC)nn1 229935154 487070120 /nfs/dbraw/zinc/07/01/20/487070120.db2.gz BXWWHXACHMOXLT-VIFPVBQESA-N 1 0 196.298 1.878 20 0 ADADRO CC[C@@H]([NH3+])c1cn(CCC2CC2)nn1 229937012 487070172 /nfs/dbraw/zinc/07/01/72/487070172.db2.gz CJLNORCWPOLKPT-SECBINFHSA-N 1 0 194.282 1.488 20 0 ADADRO CC[C@@H]([NH3+])c1cn(CC(C)C)nn1 229933568 487070308 /nfs/dbraw/zinc/07/03/08/487070308.db2.gz WIYZFRRPBMPPJX-MRVPVSSYSA-N 1 0 182.271 1.344 20 0 ADADRO CC[C@H]([NH3+])c1cn(CC(C)C)nn1 229933573 487070330 /nfs/dbraw/zinc/07/03/30/487070330.db2.gz WIYZFRRPBMPPJX-QMMMGPOBSA-N 1 0 182.271 1.344 20 0 ADADRO CCCCn1cc([C@H]([NH3+])CC)nn1 229935215 487070342 /nfs/dbraw/zinc/07/03/42/487070342.db2.gz UBVCTTRZESLAER-MRVPVSSYSA-N 1 0 182.271 1.488 20 0 ADADRO CCCCCn1cc([C@H]([NH3+])CC)nn1 229935160 487070353 /nfs/dbraw/zinc/07/03/53/487070353.db2.gz BXWWHXACHMOXLT-SECBINFHSA-N 1 0 196.298 1.878 20 0 ADADRO CC[C@@H]([NH3+])c1cn([C@H](C)CC)nn1 229935292 487070361 /nfs/dbraw/zinc/07/03/61/487070361.db2.gz HWRMNJGTHUXOFN-HTQZYQBOSA-N 1 0 182.271 1.659 20 0 ADADRO CC[N@@H+](CC(N)=O)C[C@@H]1CC=CCC1 682790629 487070716 /nfs/dbraw/zinc/07/07/16/487070716.db2.gz INXGRVNLKPNYPD-SNVBAGLBSA-N 1 0 196.294 1.150 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1occc1C 229964892 487070907 /nfs/dbraw/zinc/07/09/07/487070907.db2.gz HYNQCIRARCTGEI-VIFPVBQESA-N 1 0 183.251 1.449 20 0 ADADRO CC[N@@H+](CC(N)=O)CC1CCCCC1 682778378 487070910 /nfs/dbraw/zinc/07/09/10/487070910.db2.gz DJAVXANRKCCAIS-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO CC[N@H+](CCC1CCCC1)CC(N)=O 682778766 487070961 /nfs/dbraw/zinc/07/09/61/487070961.db2.gz PZCDMMWOPYZLFB-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1ccc(O)cc1 229965357 487070994 /nfs/dbraw/zinc/07/09/94/487070994.db2.gz CPTMABNFVSXGIM-SNVBAGLBSA-N 1 0 195.262 1.253 20 0 ADADRO CCC(CC)C[NH2+]C[C@H](O)CC 229965535 487071045 /nfs/dbraw/zinc/07/10/45/487071045.db2.gz JXNQHOVBMRRVTD-SNVBAGLBSA-N 1 0 173.300 1.783 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1cncs1 229962758 487071169 /nfs/dbraw/zinc/07/11/69/487071169.db2.gz VECYTSADLVHSBR-ZETCQYMHSA-N 1 0 186.280 1.004 20 0 ADADRO CC[N@@H+](CC(N)=O)C[C@H]1CC=CCC1 682790628 487071213 /nfs/dbraw/zinc/07/12/13/487071213.db2.gz INXGRVNLKPNYPD-JTQLQIEISA-N 1 0 196.294 1.150 20 0 ADADRO CC[C@H](O)C[NH2+][C@H]1CC[C@@H](C)C1 229963824 487071216 /nfs/dbraw/zinc/07/12/16/487071216.db2.gz WNWSIKWJLRSNCS-UTLUCORTSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H](O)C[NH2+][C@H](CC)C1CC1 229964946 487071222 /nfs/dbraw/zinc/07/12/22/487071222.db2.gz DZBXXZYGIOTTGP-VHSXEESVSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H](CC)C1CC1 229964935 487071243 /nfs/dbraw/zinc/07/12/43/487071243.db2.gz DZBXXZYGIOTTGP-UWVGGRQHSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H]([NH2+]C[C@H](O)CC)C1CC1 229964929 487071249 /nfs/dbraw/zinc/07/12/49/487071249.db2.gz DZBXXZYGIOTTGP-ZJUUUORDSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H]1CS[C@@H](C)C1 229963297 487071265 /nfs/dbraw/zinc/07/12/65/487071265.db2.gz GXCLDMOLNOYSBR-CIUDSAMLSA-N 1 0 189.324 1.241 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1occc1C 229964885 487071287 /nfs/dbraw/zinc/07/12/87/487071287.db2.gz HYNQCIRARCTGEI-SECBINFHSA-N 1 0 183.251 1.449 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H]1CC[C@@H](C)C1 229963800 487071297 /nfs/dbraw/zinc/07/12/97/487071297.db2.gz WNWSIKWJLRSNCS-OPRDCNLKSA-N 1 0 171.284 1.536 20 0 ADADRO CCC(CC)C[NH2+]C[C@@H](O)CC 229965540 487071299 /nfs/dbraw/zinc/07/12/99/487071299.db2.gz JXNQHOVBMRRVTD-JTQLQIEISA-N 1 0 173.300 1.783 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1cccc(O)c1 229965449 487071316 /nfs/dbraw/zinc/07/13/16/487071316.db2.gz WMAWYABKKJFDMT-JTQLQIEISA-N 1 0 195.262 1.253 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C1 229963810 487071399 /nfs/dbraw/zinc/07/13/99/487071399.db2.gz WNWSIKWJLRSNCS-BBBLOLIVSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H](CC)C1CC1 229964941 487071407 /nfs/dbraw/zinc/07/14/07/487071407.db2.gz DZBXXZYGIOTTGP-NXEZZACHSA-N 1 0 171.284 1.536 20 0 ADADRO CCC[C@@H]([NH3+])c1cn(C(C)(C)C)nn1 229969221 487071424 /nfs/dbraw/zinc/07/14/24/487071424.db2.gz BSEYRHOVITYCCT-MRVPVSSYSA-N 1 0 196.298 1.833 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1cccc(O)c1 229965444 487071506 /nfs/dbraw/zinc/07/15/06/487071506.db2.gz WMAWYABKKJFDMT-SNVBAGLBSA-N 1 0 195.262 1.253 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1ccc(O)cc1 229965364 487071469 /nfs/dbraw/zinc/07/14/69/487071469.db2.gz CPTMABNFVSXGIM-JTQLQIEISA-N 1 0 195.262 1.253 20 0 ADADRO CCC[C@H]([NH3+])c1cn(C(C)(C)C)nn1 229969226 487071474 /nfs/dbraw/zinc/07/14/74/487071474.db2.gz BSEYRHOVITYCCT-QMMMGPOBSA-N 1 0 196.298 1.833 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)C1 229963815 487071501 /nfs/dbraw/zinc/07/15/01/487071501.db2.gz WNWSIKWJLRSNCS-KXUCPTDWSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 229969339 487071576 /nfs/dbraw/zinc/07/15/76/487071576.db2.gz ZGDFQJNAKVSYNU-ZJUUUORDSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 229969331 487071598 /nfs/dbraw/zinc/07/15/98/487071598.db2.gz ZGDFQJNAKVSYNU-NXEZZACHSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](O)C[NH2+][C@H]1CCCSC1 229971026 487071721 /nfs/dbraw/zinc/07/17/21/487071721.db2.gz HZJFIPVQCAWPSI-IUCAKERBSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1ccc(C)cn1 229970028 487071769 /nfs/dbraw/zinc/07/17/69/487071769.db2.gz RVGIUCPFDHEYJE-NSHDSACASA-N 1 0 194.278 1.251 20 0 ADADRO CC[C@H](O)C[NH2+]Cc1cnccc1C 229969439 487071784 /nfs/dbraw/zinc/07/17/84/487071784.db2.gz FWDNSQGJXCGKOA-NSHDSACASA-N 1 0 194.278 1.251 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H](C)CC1CCC1 229969512 487072060 /nfs/dbraw/zinc/07/20/60/487072060.db2.gz FXFWPNOIAAZJRI-GXSJLCMTSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1ccc(C)cn1 229970025 487072117 /nfs/dbraw/zinc/07/21/17/487072117.db2.gz RVGIUCPFDHEYJE-LLVKDONJSA-N 1 0 194.278 1.251 20 0 ADADRO Cn1nccc1CC[N@H+](C)C1CCC1 682842024 487072139 /nfs/dbraw/zinc/07/21/39/487072139.db2.gz BDQVBCHFTQOERH-UHFFFAOYSA-N 1 0 193.294 1.447 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H](C)CC1CCC1 229969524 487072157 /nfs/dbraw/zinc/07/21/57/487072157.db2.gz FXFWPNOIAAZJRI-MWLCHTKSSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](O)C[NH2+][C@H]1CCC(C)(C)C1 229969348 487072197 /nfs/dbraw/zinc/07/21/97/487072197.db2.gz ZGDFQJNAKVSYNU-UWVGGRQHSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1 229969343 487072231 /nfs/dbraw/zinc/07/22/31/487072231.db2.gz ZGDFQJNAKVSYNU-VHSXEESVSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H]1CCCSC1 229971007 487072329 /nfs/dbraw/zinc/07/23/29/487072329.db2.gz HZJFIPVQCAWPSI-RKDXNWHRSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H]1CCCSC1 229971014 487072373 /nfs/dbraw/zinc/07/23/73/487072373.db2.gz HZJFIPVQCAWPSI-BDAKNGLRSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H](C)CC1CCC1 229969517 487072379 /nfs/dbraw/zinc/07/23/79/487072379.db2.gz FXFWPNOIAAZJRI-ONGXEEELSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](O)C[NH2+]C1CCSCC1 229969650 487072390 /nfs/dbraw/zinc/07/23/90/487072390.db2.gz XEOAXPXVVQWBSS-SECBINFHSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@H](O)C[NH2+]C1CCSCC1 229969654 487072405 /nfs/dbraw/zinc/07/24/05/487072405.db2.gz XEOAXPXVVQWBSS-VIFPVBQESA-N 1 0 189.324 1.243 20 0 ADADRO CCc1ccc(C[NH2+]C[C@H](O)CC)o1 229970804 487072439 /nfs/dbraw/zinc/07/24/39/487072439.db2.gz KGNLGMONVVGROZ-SECBINFHSA-N 1 0 197.278 1.703 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1cnccc1C 229969435 487072459 /nfs/dbraw/zinc/07/24/59/487072459.db2.gz FWDNSQGJXCGKOA-LLVKDONJSA-N 1 0 194.278 1.251 20 0 ADADRO CCc1ccc(C[NH2+]C[C@@H](O)CC)o1 229970810 487072521 /nfs/dbraw/zinc/07/25/21/487072521.db2.gz KGNLGMONVVGROZ-VIFPVBQESA-N 1 0 197.278 1.703 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H]1CCCSC1 229971021 487072526 /nfs/dbraw/zinc/07/25/26/487072526.db2.gz HZJFIPVQCAWPSI-DTWKUNHWSA-N 1 0 189.324 1.243 20 0 ADADRO CC[C@H](O)C[NH2+][C@H](C)CC1CCC1 229969526 487072545 /nfs/dbraw/zinc/07/25/45/487072545.db2.gz FXFWPNOIAAZJRI-KOLCDFICSA-N 1 0 185.311 1.926 20 0 ADADRO CCCCC(=O)NCC1([NH3+])CCC1 230066606 487072682 /nfs/dbraw/zinc/07/26/82/487072682.db2.gz FBKQDSQQVGEXAZ-UHFFFAOYSA-N 1 0 184.283 1.174 20 0 ADADRO CC(C)[C@H](C)C(=O)NCC1([NH3+])CCC1 230064791 487072807 /nfs/dbraw/zinc/07/28/07/487072807.db2.gz DDEUEAFJSTXXOA-VIFPVBQESA-N 1 0 198.310 1.276 20 0 ADADRO CCC[C@@H](C)C(=O)NCC1([NH3+])CCC1 230065818 487072905 /nfs/dbraw/zinc/07/29/05/487072905.db2.gz BNMDDBUUECPITL-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO CC(C)CC(=O)NCC1([NH3+])CCC1 230064687 487073025 /nfs/dbraw/zinc/07/30/25/487073025.db2.gz FYDKTSOGUJDWQX-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@@H](O)C[NH+]1CC(C(C)C)C1 230027345 487073055 /nfs/dbraw/zinc/07/30/55/487073055.db2.gz MKEFHMQISRLFEV-SNVBAGLBSA-N 1 0 171.284 1.345 20 0 ADADRO CC[C@@H](C)C(=O)NCC1([NH3+])CCC1 230067364 487073081 /nfs/dbraw/zinc/07/30/81/487073081.db2.gz VSGATOPIMBYNLZ-MRVPVSSYSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)CCC(=O)NCC1([NH3+])CCC1 230066806 487073123 /nfs/dbraw/zinc/07/31/23/487073123.db2.gz NQFMIPYLHDDBJG-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H](O)C[NH+]1CC(CC)(CC)C1 230027636 487073132 /nfs/dbraw/zinc/07/31/32/487073132.db2.gz YUSGFJRNHKPLLJ-JTQLQIEISA-N 1 0 185.311 1.879 20 0 ADADRO CCC[C@H](C)C(=O)NCC1([NH3+])CCC1 230065822 487073139 /nfs/dbraw/zinc/07/31/39/487073139.db2.gz BNMDDBUUECPITL-VIFPVBQESA-N 1 0 198.310 1.420 20 0 ADADRO CCCCCC(=O)NCC1([NH3+])CCC1 230064770 487073145 /nfs/dbraw/zinc/07/31/45/487073145.db2.gz PGUQSAJXUYGCOF-UHFFFAOYSA-N 1 0 198.310 1.564 20 0 ADADRO CC(C)[C@@H](C)C(=O)NCC1([NH3+])CCC1 230064786 487073150 /nfs/dbraw/zinc/07/31/50/487073150.db2.gz DDEUEAFJSTXXOA-SECBINFHSA-N 1 0 198.310 1.276 20 0 ADADRO CC[C@@H](O)C[NH+]1CC(CC)(CC)C1 230027633 487073213 /nfs/dbraw/zinc/07/32/13/487073213.db2.gz YUSGFJRNHKPLLJ-SNVBAGLBSA-N 1 0 185.311 1.879 20 0 ADADRO [NH3+]C1(CNC(=O)CC2CCC2)CCC1 230066052 487073226 /nfs/dbraw/zinc/07/32/26/487073226.db2.gz JERSUFOZEZUIKL-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO C[C@H](C(=O)NCC1([NH3+])CCC1)C1CC1 230066348 487073285 /nfs/dbraw/zinc/07/32/85/487073285.db2.gz HNXPENBXOWFADI-QMMMGPOBSA-N 1 0 196.294 1.030 20 0 ADADRO CCC(CC)C(=O)NCC1([NH3+])CCC1 230066871 487073308 /nfs/dbraw/zinc/07/33/08/487073308.db2.gz VNEXUKZACSTRNP-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H](C(=O)NCC1([NH3+])CCC1)C1CC1 230066342 487073247 /nfs/dbraw/zinc/07/32/47/487073247.db2.gz HNXPENBXOWFADI-MRVPVSSYSA-N 1 0 196.294 1.030 20 0 ADADRO CC[C@@H](O)C[NH+]1CC(C)(C)C1 230027765 487073253 /nfs/dbraw/zinc/07/32/53/487073253.db2.gz LMOKBIJDTMRNET-MRVPVSSYSA-N 1 0 157.257 1.099 20 0 ADADRO CC[C@H](C)C(=O)NCC1([NH3+])CCC1 230067368 487073337 /nfs/dbraw/zinc/07/33/37/487073337.db2.gz VSGATOPIMBYNLZ-QMMMGPOBSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)(C)CC(=O)NCC1([NH3+])CCC1 230066180 487073380 /nfs/dbraw/zinc/07/33/80/487073380.db2.gz IRBQLFAGWMYJIN-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1C 230673447 487073969 /nfs/dbraw/zinc/07/39/69/487073969.db2.gz NJXXKFGJHCIXQH-KXUCPTDWSA-N 1 0 171.284 1.393 20 0 ADADRO CC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C1 230417845 487073981 /nfs/dbraw/zinc/07/39/81/487073981.db2.gz QZFHSBBATQLRFS-VWYCJHECSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C1 230417567 487074023 /nfs/dbraw/zinc/07/40/23/487074023.db2.gz ITPPOULEWKNCSY-OPRDCNLKSA-N 1 0 171.284 1.393 20 0 ADADRO COC1CC([NH2+][C@H](C)C2CC2)C1 230673078 487074067 /nfs/dbraw/zinc/07/40/67/487074067.db2.gz VGEZWUQOLWHGBN-CUUXFQNZSA-N 1 0 169.268 1.552 20 0 ADADRO C[C@@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C1 230417573 487074094 /nfs/dbraw/zinc/07/40/94/487074094.db2.gz ITPPOULEWKNCSY-BBBLOLIVSA-N 1 0 171.284 1.393 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C1 230417570 487074100 /nfs/dbraw/zinc/07/41/00/487074100.db2.gz ITPPOULEWKNCSY-KXUCPTDWSA-N 1 0 171.284 1.393 20 0 ADADRO CO[C@H](C)C[NH2+][C@@H](C)c1cnn(C)c1 230640004 487074151 /nfs/dbraw/zinc/07/41/51/487074151.db2.gz OESUSWOPAYBTAY-BDAKNGLRSA-N 1 0 197.282 1.106 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1C 230672623 487074165 /nfs/dbraw/zinc/07/41/65/487074165.db2.gz NJXXKFGJHCIXQH-GUBZILKMSA-N 1 0 171.284 1.393 20 0 ADADRO C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C1 230417575 487074173 /nfs/dbraw/zinc/07/41/73/487074173.db2.gz ITPPOULEWKNCSY-UTLUCORTSA-N 1 0 171.284 1.393 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H](C)c1cnn(C)c1 230639999 487074190 /nfs/dbraw/zinc/07/41/90/487074190.db2.gz OESUSWOPAYBTAY-IUCAKERBSA-N 1 0 197.282 1.106 20 0 ADADRO COC[C@@H]([NH2+]C[C@H](C)OC)C1CC1 230618166 487074208 /nfs/dbraw/zinc/07/42/08/487074208.db2.gz RCZJSLHYLCEVQC-WCBMZHEXSA-N 1 0 187.283 1.036 20 0 ADADRO CO[C@@H](C)C[NH2+][C@H](C)c1ccoc1 230647968 487074220 /nfs/dbraw/zinc/07/42/20/487074220.db2.gz UTJDJSKNARYZNB-DTWKUNHWSA-N 1 0 183.251 1.965 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1C 230673444 487074237 /nfs/dbraw/zinc/07/42/37/487074237.db2.gz NJXXKFGJHCIXQH-UTLUCORTSA-N 1 0 171.284 1.393 20 0 ADADRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CC1 230411537 487074281 /nfs/dbraw/zinc/07/42/81/487074281.db2.gz RSSSJNFIYQSUJA-NXEZZACHSA-N 1 0 183.295 1.801 20 0 ADADRO CO[C@H](C)C[NH2+][C@@H](C)c1ccoc1 230647964 487074302 /nfs/dbraw/zinc/07/43/02/487074302.db2.gz UTJDJSKNARYZNB-BDAKNGLRSA-N 1 0 183.251 1.965 20 0 ADADRO CC[N@@H+](CC(C)=O)CC1CCC1 230324404 487074338 /nfs/dbraw/zinc/07/43/38/487074338.db2.gz UQTUYDLRMASUED-UHFFFAOYSA-N 1 0 169.268 1.697 20 0 ADADRO C[C@H]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 230420913 487074352 /nfs/dbraw/zinc/07/43/52/487074352.db2.gz ITPPOULEWKNCSY-AEJSXWLSSA-N 1 0 171.284 1.393 20 0 ADADRO CC[N@H+](CC[C@H](C)O)CC1CCC1 230327868 487074389 /nfs/dbraw/zinc/07/43/89/487074389.db2.gz AJVAUKSDKBQSQP-JTQLQIEISA-N 1 0 185.311 1.879 20 0 ADADRO CO[C@@H](C)C[NH2+][C@H](C)c1cnn(C)c1 230640012 487074409 /nfs/dbraw/zinc/07/44/09/487074409.db2.gz OESUSWOPAYBTAY-DTWKUNHWSA-N 1 0 197.282 1.106 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C1 230418929 487074420 /nfs/dbraw/zinc/07/44/20/487074420.db2.gz ITPPOULEWKNCSY-LPEHRKFASA-N 1 0 171.284 1.393 20 0 ADADRO C[C@H]([NH2+]CC[C@H]1CCOC1)C1CC1 230411549 487074468 /nfs/dbraw/zinc/07/44/68/487074468.db2.gz RSSSJNFIYQSUJA-UWVGGRQHSA-N 1 0 183.295 1.801 20 0 ADADRO 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IPICRSWYINIDAS-GRYCIOLGSA-N 1 0 196.338 1.907 20 0 ADADRO C[C@@H](C[NH2+][C@H]1CCC[C@H]1C)N(C)C 252100944 487121791 /nfs/dbraw/zinc/12/17/91/487121791.db2.gz GGBGOFAHPKSWRR-VWYCJHECSA-N 1 0 184.327 1.715 20 0 ADADRO C[C@@H]1C[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 252088990 487121804 /nfs/dbraw/zinc/12/18/04/487121804.db2.gz GWKGKQDKOGZGDS-GJMOJQLCSA-N 1 0 193.250 1.618 20 0 ADADRO C[C@@H]1C[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 252088988 487121826 /nfs/dbraw/zinc/12/18/26/487121826.db2.gz GWKGKQDKOGZGDS-BWZBUEFSSA-N 1 0 193.250 1.618 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 252121696 487121848 /nfs/dbraw/zinc/12/18/48/487121848.db2.gz KXJTWIFTUZSULV-VPOLOUISSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]CCC(N)=O 252121392 487121861 /nfs/dbraw/zinc/12/18/61/487121861.db2.gz JKEYHBXLWLKLKT-JZYVYDRUSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@H](O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C 252089328 487121867 /nfs/dbraw/zinc/12/18/67/487121867.db2.gz DIRSKMVKUYYETF-MXWKQRLJSA-N 1 0 185.311 1.878 20 0 ADADRO CC(C)CC[N@@H+]1CC[C@](C)(C(N)=O)C1 684428667 487121903 /nfs/dbraw/zinc/12/19/03/487121903.db2.gz CNWRZCSWGPLPIG-NSHDSACASA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@H](C)C[N@@H+]1CCCC[C@H]1CN 252029900 487121918 /nfs/dbraw/zinc/12/19/18/487121918.db2.gz ZBOOVYBDHAAUCW-QWRGUYRKSA-N 1 0 184.327 1.846 20 0 ADADRO CC[C@H](C)[N@H+](CC)CC[C@H](C)O 252032468 487121960 /nfs/dbraw/zinc/12/19/60/487121960.db2.gz ZOGCQXYHTKXMHP-UWVGGRQHSA-N 1 0 173.300 1.878 20 0 ADADRO CC[C@H](C)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 684430025 487121978 /nfs/dbraw/zinc/12/19/78/487121978.db2.gz RKJSHYRFKPYAKO-GXSJLCMTSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CN 252029898 487122009 /nfs/dbraw/zinc/12/20/09/487122009.db2.gz ZBOOVYBDHAAUCW-MNOVXSKESA-N 1 0 184.327 1.846 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC2)CCO1 252101792 487122054 /nfs/dbraw/zinc/12/20/54/487122054.db2.gz ILQGOTCVUQZLMW-KKZNHRDASA-N 1 0 183.295 1.942 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCNC1 252116339 487122067 /nfs/dbraw/zinc/12/20/67/487122067.db2.gz IPICRSWYINIDAS-WOPDTQHZSA-N 1 0 196.338 1.907 20 0 ADADRO CC[C@H](C)CN(C)[C@H]1CC[NH2+]C1 251945434 487122078 /nfs/dbraw/zinc/12/20/78/487122078.db2.gz SYUMTBRSXXQGDJ-UWVGGRQHSA-N 1 0 170.300 1.326 20 0 ADADRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C)N(C)C 252100943 487122084 /nfs/dbraw/zinc/12/20/84/487122084.db2.gz GGBGOFAHPKSWRR-OUAUKWLOSA-N 1 0 184.327 1.715 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCNC1 252022413 487122246 /nfs/dbraw/zinc/12/22/46/487122246.db2.gz XQHCZPXDEBGAIH-DCAQKATOSA-N 1 0 184.327 1.763 20 0 ADADRO CC[C@@H](C)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 684430027 487122262 /nfs/dbraw/zinc/12/22/62/487122262.db2.gz RKJSHYRFKPYAKO-MWLCHTKSSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@@H](C)C[N@@H+]1CC[C@](C)(C(N)=O)C1 684430026 487122311 /nfs/dbraw/zinc/12/23/11/487122311.db2.gz RKJSHYRFKPYAKO-KOLCDFICSA-N 1 0 198.310 1.230 20 0 ADADRO C[C@@H]1C[C@H]([NH2+][C@H](C)C2CC2)CCO1 252101791 487122336 /nfs/dbraw/zinc/12/23/36/487122336.db2.gz ILQGOTCVUQZLMW-FXPVBKGRSA-N 1 0 183.295 1.942 20 0 ADADRO CC[C@H](C)C[N@@H+]1CC[C@](C)(C(N)=O)C1 684430028 487122353 /nfs/dbraw/zinc/12/23/53/487122353.db2.gz RKJSHYRFKPYAKO-ONGXEEELSA-N 1 0 198.310 1.230 20 0 ADADRO CC(C)CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 684428665 487122367 /nfs/dbraw/zinc/12/23/67/487122367.db2.gz CNWRZCSWGPLPIG-LLVKDONJSA-N 1 0 198.310 1.230 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNC1=O 252133301 487122377 /nfs/dbraw/zinc/12/23/77/487122377.db2.gz LDIULPXOXKWJNE-BBBLOLIVSA-N 1 0 196.294 1.043 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 252121697 487122387 /nfs/dbraw/zinc/12/23/87/487122387.db2.gz KXJTWIFTUZSULV-ZRUFSTJUSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNC1=O 252133303 487122400 /nfs/dbraw/zinc/12/24/00/487122400.db2.gz LDIULPXOXKWJNE-UTLUCORTSA-N 1 0 196.294 1.043 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 252121694 487122428 /nfs/dbraw/zinc/12/24/28/487122428.db2.gz KXJTWIFTUZSULV-CHWFTXMASA-N 1 0 185.311 1.782 20 0 ADADRO CC[C@@H](C)[N@H+](CC)CC[C@H](C)O 252032470 487122431 /nfs/dbraw/zinc/12/24/31/487122431.db2.gz ZOGCQXYHTKXMHP-ZJUUUORDSA-N 1 0 173.300 1.878 20 0 ADADRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1C[C@H]1C 252166629 487122750 /nfs/dbraw/zinc/12/27/50/487122750.db2.gz QOHBSWGCQYGGFX-WCABBAIRSA-N 1 0 198.310 1.132 20 0 ADADRO C[C@@H]1CCC[N@H+](CCCF)[C@H]1CN 252189528 487122910 /nfs/dbraw/zinc/12/29/10/487122910.db2.gz RJYAXQQNWHSKNE-ZJUUUORDSA-N 1 0 188.290 1.405 20 0 ADADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1C[C@H]1C 252211577 487122969 /nfs/dbraw/zinc/12/29/69/487122969.db2.gz YGGTUKWVNRDXTB-BBBLOLIVSA-N 1 0 198.310 1.132 20 0 ADADRO C[C@H](O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C 252209705 487123013 /nfs/dbraw/zinc/12/30/13/487123013.db2.gz VZZIUOLVFXPAII-OUAUKWLOSA-N 1 0 185.311 1.878 20 0 ADADRO C[C@H]1C[C@H]([NH2+]CC2CC2)C[C@@H](C)O1 252178979 487123251 /nfs/dbraw/zinc/12/32/51/487123251.db2.gz SOIIAXCOJGVDGB-DOFRTFSJSA-N 1 0 183.295 1.942 20 0 ADADRO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]1C 252166627 487123282 /nfs/dbraw/zinc/12/32/82/487123282.db2.gz QOHBSWGCQYGGFX-FXPVBKGRSA-N 1 0 198.310 1.132 20 0 ADADRO C[C@H](C[NH3+])C(=O)N1[C@H](C)CCC[C@H]1C 252152151 487123295 /nfs/dbraw/zinc/12/32/95/487123295.db2.gz MQSRBBHYGKZPIT-OPRDCNLKSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]1C 252211578 487123366 /nfs/dbraw/zinc/12/33/66/487123366.db2.gz YGGTUKWVNRDXTB-OPRDCNLKSA-N 1 0 198.310 1.132 20 0 ADADRO C[C@H](O)CC[N@@H+]1CCC[C@H](C)[C@H]1C 252209704 487123380 /nfs/dbraw/zinc/12/33/80/487123380.db2.gz VZZIUOLVFXPAII-GARJFASQSA-N 1 0 185.311 1.878 20 0 ADADRO C[C@H]1CCCN(C(=O)[C@H](C)C[NH3+])[C@@H]1C 252189537 487123415 /nfs/dbraw/zinc/12/34/15/487123415.db2.gz RJZXOJXRDCOYGI-IVZWLZJFSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C 252189538 487123419 /nfs/dbraw/zinc/12/34/19/487123419.db2.gz RJZXOJXRDCOYGI-OPRDCNLKSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CCN 252177036 487123423 /nfs/dbraw/zinc/12/34/23/487123423.db2.gz PEMHJYKYFXFDKF-KXUCPTDWSA-N 1 0 170.300 1.359 20 0 ADADRO C[C@@H]1[C@@H]([NH2+]CCN)CCC[C@H]1C 252177037 487123430 /nfs/dbraw/zinc/12/34/30/487123430.db2.gz PEMHJYKYFXFDKF-UTLUCORTSA-N 1 0 170.300 1.359 20 0 ADADRO C[C@H](O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C 252209702 487123461 /nfs/dbraw/zinc/12/34/61/487123461.db2.gz VZZIUOLVFXPAII-DCAQKATOSA-N 1 0 185.311 1.878 20 0 ADADRO C[C@@H]1CCN(C(=O)[C@H](C)C[NH3+])[C@H](C)C1 252182966 487123496 /nfs/dbraw/zinc/12/34/96/487123496.db2.gz QIEXYYSOUWVUJW-OPRDCNLKSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)C[C@@H](C)O1 252197163 487123530 /nfs/dbraw/zinc/12/35/30/487123530.db2.gz VRJQFVZEQJXQMK-LMLFDSFASA-N 1 0 199.294 1.321 20 0 ADADRO C[C@H]1CCC[N@H+](CCCF)[C@H]1CN 252189527 487123537 /nfs/dbraw/zinc/12/35/37/487123537.db2.gz RJYAXQQNWHSKNE-UWVGGRQHSA-N 1 0 188.290 1.405 20 0 ADADRO C[C@@H]1CC[C@H](CNC(=O)C[NH+](C)C)C1 684515592 487123640 /nfs/dbraw/zinc/12/36/40/487123640.db2.gz UYLAEJTUBMVIIK-ZJUUUORDSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H]1CC[C@@H](CNC(=O)C[NH+](C)C)C1 684515590 487123680 /nfs/dbraw/zinc/12/36/80/487123680.db2.gz UYLAEJTUBMVIIK-VHSXEESVSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@@H]1CC[C@@H](CNC(=O)C[NH+](C)C)C1 684515585 487123696 /nfs/dbraw/zinc/12/36/96/487123696.db2.gz UYLAEJTUBMVIIK-NXEZZACHSA-N 1 0 198.310 1.100 20 0 ADADRO CCN(CC1CCC1)C(=O)C[NH+](C)C 684516550 487123803 /nfs/dbraw/zinc/12/38/03/487123803.db2.gz SYHLOULCCMEGRH-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO CC[C@@H](C)C[N@H+](C)[C@H](C)CN 252435108 487124016 /nfs/dbraw/zinc/12/40/16/487124016.db2.gz IBNDHSPGLVXFHH-RKDXNWHRSA-N 1 0 158.289 1.312 20 0 ADADRO C[C@H]1CC[C@H](CNC(=O)C[NH+](C)C)C1 684515589 487124034 /nfs/dbraw/zinc/12/40/34/487124034.db2.gz UYLAEJTUBMVIIK-UWVGGRQHSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCO1 252415497 487124067 /nfs/dbraw/zinc/12/40/67/487124067.db2.gz LBKAFDAWKCESOJ-KXUCPTDWSA-N 1 0 169.268 1.411 20 0 ADADRO CC[C@@H](C)C[N@H+](C)[C@H](CN)C1CC1 252391831 487124342 /nfs/dbraw/zinc/12/43/42/487124342.db2.gz SHNJLEFRERESQV-MWLCHTKSSA-N 1 0 184.327 1.702 20 0 ADADRO CC[C@H](C)C[N@H+](C)[C@H](C)CN 252435107 487124279 /nfs/dbraw/zinc/12/42/79/487124279.db2.gz IBNDHSPGLVXFHH-DTWKUNHWSA-N 1 0 158.289 1.312 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCO1 252415498 487124389 /nfs/dbraw/zinc/12/43/89/487124389.db2.gz LBKAFDAWKCESOJ-OPRDCNLKSA-N 1 0 169.268 1.411 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)N(C)C 252458111 487124686 /nfs/dbraw/zinc/12/46/86/487124686.db2.gz LTDBYSFBBXYIFQ-DCAQKATOSA-N 1 0 186.343 1.961 20 0 ADADRO CCOCCN(C)c1cc[nH+]cc1C 684581362 487124817 /nfs/dbraw/zinc/12/48/17/487124817.db2.gz URUUQVVUEWIUSE-UHFFFAOYSA-N 1 0 194.278 1.863 20 0 ADADRO CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)[NH2+]C 252457981 487124825 /nfs/dbraw/zinc/12/48/25/487124825.db2.gz DASDMTRSAPGLKC-YIZRAAEISA-N 1 0 186.299 1.145 20 0 ADADRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)N(C)C 252458112 487124851 /nfs/dbraw/zinc/12/48/51/487124851.db2.gz LTDBYSFBBXYIFQ-GARJFASQSA-N 1 0 186.343 1.961 20 0 ADADRO CC[C@H](O)C[N@H+](CC)[C@H](C)CC 252438948 487124883 /nfs/dbraw/zinc/12/48/83/487124883.db2.gz IVCSFDCWLRENSB-ZJUUUORDSA-N 1 0 173.300 1.878 20 0 ADADRO CC[C@H](C)[C@H](C)NC(=O)[C@H](C)[NH2+]C 252457980 487124906 /nfs/dbraw/zinc/12/49/06/487124906.db2.gz DASDMTRSAPGLKC-CIUDSAMLSA-N 1 0 186.299 1.145 20 0 ADADRO C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCCO1 252447494 487124919 /nfs/dbraw/zinc/12/49/19/487124919.db2.gz LGJSCIMQZIRTHC-HBNTYKKESA-N 1 0 199.294 1.323 20 0 ADADRO CC[C@H](C)N(C)C(=O)[C@@H]1CC[NH2+][C@H]1C 252604911 487125236 /nfs/dbraw/zinc/12/52/36/487125236.db2.gz PDWGJUFVZJIBFN-LPEHRKFASA-N 1 0 198.310 1.241 20 0 ADADRO CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 252673597 487125270 /nfs/dbraw/zinc/12/52/70/487125270.db2.gz LAWBSEKYBNIGNG-ZJUUUORDSA-N 1 0 196.294 1.139 20 0 ADADRO c1nc(C[NH+]2CCC3(CC2)CC3)c[nH]1 684619815 487125287 /nfs/dbraw/zinc/12/52/87/487125287.db2.gz PXEUBJADQMMNDR-UHFFFAOYSA-N 1 0 191.278 1.786 20 0 ADADRO CC1=C(C)C[N@H+](Cc2cn[nH]c2)CC1 684614439 487125323 /nfs/dbraw/zinc/12/53/23/487125323.db2.gz MBKJJWMDHAOTNQ-UHFFFAOYSA-N 1 0 191.278 1.952 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCOC1 252689242 487125333 /nfs/dbraw/zinc/12/53/33/487125333.db2.gz QPQRKBJWQQBLEC-ZRUFSTJUSA-N 1 0 199.294 1.178 20 0 ADADRO CCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 252673596 487125373 /nfs/dbraw/zinc/12/53/73/487125373.db2.gz LAWBSEKYBNIGNG-UWVGGRQHSA-N 1 0 196.294 1.139 20 0 ADADRO COC(C)(C)C[N@H+](C)Cc1cnc[nH]1 684618121 487125390 /nfs/dbraw/zinc/12/53/90/487125390.db2.gz JQXNDFKGXHGYQV-UHFFFAOYSA-N 1 0 197.282 1.267 20 0 ADADRO CCC[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C 252609756 487125479 /nfs/dbraw/zinc/12/54/79/487125479.db2.gz UEQRYMGIKVCFKR-GUBZILKMSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@H](C)N(C)C(=O)[C@H]1CC[NH2+][C@H]1C 252604910 487125550 /nfs/dbraw/zinc/12/55/50/487125550.db2.gz PDWGJUFVZJIBFN-GUBZILKMSA-N 1 0 198.310 1.241 20 0 ADADRO COC[C@@H]1CCC[N@@H+]1Cc1cnc[nH]1 684618207 487125574 /nfs/dbraw/zinc/12/55/74/487125574.db2.gz MDRMIUDEAYVAMI-JTQLQIEISA-N 1 0 195.266 1.021 20 0 ADADRO CCC[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C 252609757 487125654 /nfs/dbraw/zinc/12/56/54/487125654.db2.gz UEQRYMGIKVCFKR-LPEHRKFASA-N 1 0 198.310 1.289 20 0 ADADRO CC(C)CCC[NH2+]C[C@H](C)C[NH3+] 258767622 487135021 /nfs/dbraw/zinc/13/50/21/487135021.db2.gz NUZAEWHMROHHPI-SNVBAGLBSA-N 1 0 172.316 1.607 20 0 ADADRO COC[C@H]1CCC[N@@H+]1Cc1cnc[nH]1 684618208 487125943 /nfs/dbraw/zinc/12/59/43/487125943.db2.gz MDRMIUDEAYVAMI-SNVBAGLBSA-N 1 0 195.266 1.021 20 0 ADADRO CC[C@H](C)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 252752736 487127618 /nfs/dbraw/zinc/12/76/18/487127618.db2.gz CBCCIQOBQQKRDV-GUBZILKMSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)C[N@H+](C)CC(=O)N1CCCC1 684756524 487131047 /nfs/dbraw/zinc/13/10/47/487131047.db2.gz JUCLZRWRAMVZEV-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO 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252698638 487126316 /nfs/dbraw/zinc/12/63/16/487126316.db2.gz OGTHNHWZEVGENC-AEJSXWLSSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]1C[C@H]([NH2+]CCCF)C[C@@H](C)O1 252738510 487126386 /nfs/dbraw/zinc/12/63/86/487126386.db2.gz FJDGCFAHJZGFQZ-ILWJIGKKSA-N 1 0 189.274 1.892 20 0 ADADRO c1ncc(C[N@@H+]2CCC[C@@H]2C2CC2)[nH]1 684618495 487126400 /nfs/dbraw/zinc/12/64/00/487126400.db2.gz PBYUQJBDCIBICN-LLVKDONJSA-N 1 0 191.278 1.784 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCO1 252716186 487126446 /nfs/dbraw/zinc/12/64/46/487126446.db2.gz XVIOZDJFPXHENE-OPRDCNLKSA-N 1 0 187.283 1.178 20 0 ADADRO CC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 252697799 487126498 /nfs/dbraw/zinc/12/64/98/487126498.db2.gz JMLRZNLLJORRML-AXFHLTTASA-N 1 0 184.327 1.702 20 0 ADADRO C[C@H]1CC[C@H](NC(=O)CCC[NH3+])CC1 252709692 487126526 /nfs/dbraw/zinc/12/65/26/487126526.db2.gz DNXRAVMEEJZRFF-MGCOHNPYSA-N 1 0 198.310 1.420 20 0 ADADRO CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 252699862 487126540 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C[C@H]([NH3+])C[C@@H](C)NC(=O)[C@H](C)C1CC1 252771159 487127564 /nfs/dbraw/zinc/12/75/64/487127564.db2.gz UKXZOHUGULGILA-DJLDLDEBSA-N 1 0 198.310 1.275 20 0 ADADRO CCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1O 252760361 487127574 /nfs/dbraw/zinc/12/75/74/487127574.db2.gz WRKROWSZHFHLJQ-HBNTYKKESA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] 252762028 487127645 /nfs/dbraw/zinc/12/76/45/487127645.db2.gz NHJFDMDXJOUHNM-CIUDSAMLSA-N 1 0 186.299 1.275 20 0 ADADRO C[C@@H](CO)[N@@H+](CC1CCC1)CC1CC1 684625673 487127652 /nfs/dbraw/zinc/12/76/52/487127652.db2.gz CKEGZINEWRDCCU-JTQLQIEISA-N 1 0 197.322 1.879 20 0 ADADRO C[NH2+][C@H](C)Cc1noc(C2CCC2)n1 258036165 487134140 /nfs/dbraw/zinc/13/41/40/487134140.db2.gz ODZZHLITGJYKSW-SSDOTTSWSA-N 1 0 195.266 1.488 20 0 ADADRO CC[C@H](C)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 252752737 487127802 /nfs/dbraw/zinc/12/78/02/487127802.db2.gz CBCCIQOBQQKRDV-LPEHRKFASA-N 1 0 198.310 1.228 20 0 ADADRO CC[N@H+](CCC(=O)NC)CC1CCC1 684624586 487127883 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CC(C)C[C@H](CN)[NH2+]C[C@@H]1C[C@H]1C 252949717 487129312 /nfs/dbraw/zinc/12/93/12/487129312.db2.gz CHOUKOXEOSDZTI-OUAUKWLOSA-N 1 0 184.327 1.605 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+][C@H](CN)C(C)(C)C 252949128 487129365 /nfs/dbraw/zinc/12/93/65/487129365.db2.gz BOMHKXAIVHAVEC-OPRDCNLKSA-N 1 0 184.327 1.605 20 0 ADADRO CC(C)C[C@H](CN)[NH2+]C[C@H]1C[C@H]1C 252949714 487129379 /nfs/dbraw/zinc/12/93/79/487129379.db2.gz CHOUKOXEOSDZTI-GMTAPVOTSA-N 1 0 184.327 1.605 20 0 ADADRO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)C1CC1 252918601 487129396 /nfs/dbraw/zinc/12/93/96/487129396.db2.gz ZCTRMACAMKNFQX-CIUDSAMLSA-N 1 0 198.310 1.132 20 0 ADADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@H](C)CO)C1 252958133 487129416 /nfs/dbraw/zinc/12/94/16/487129416.db2.gz LDMXMPGPAUIVDL-DBIOUOCHSA-N 1 0 185.311 1.782 20 0 ADADRO CCCC[C@H](CN)[NH2+]C[C@@H]1C[C@H]1C 252953251 487129450 /nfs/dbraw/zinc/12/94/50/487129450.db2.gz GLJOLXFYLLLCLK-OUAUKWLOSA-N 1 0 184.327 1.750 20 0 ADADRO CCCC[C@H](CN)[NH2+]C[C@H]1C[C@H]1C 252953249 487129492 /nfs/dbraw/zinc/12/94/92/487129492.db2.gz GLJOLXFYLLLCLK-GMTAPVOTSA-N 1 0 184.327 1.750 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+][C@H](CN)C(C)(C)C 252949126 487129505 /nfs/dbraw/zinc/12/95/05/487129505.db2.gz BOMHKXAIVHAVEC-KXUCPTDWSA-N 1 0 184.327 1.605 20 0 ADADRO CCCC[N@@H+]1CC[C@](C)(C(=O)NC)C1 684669050 487129716 /nfs/dbraw/zinc/12/97/16/487129716.db2.gz YEAYTIVQCBUPJV-NSHDSACASA-N 1 0 198.310 1.245 20 0 ADADRO CCCC[N@@H+]1CC[C@@](C)(C(=O)NC)C1 684669049 487129853 /nfs/dbraw/zinc/12/98/53/487129853.db2.gz YEAYTIVQCBUPJV-LLVKDONJSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCCN1 252969554 487130008 /nfs/dbraw/zinc/13/00/08/487130008.db2.gz WDJIAVGDVCMIHG-GMTAPVOTSA-N 1 0 182.311 1.374 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C1 253035546 487130131 /nfs/dbraw/zinc/13/01/31/487130131.db2.gz WNWSIKWJLRSNCS-AEJSXWLSSA-N 1 0 171.284 1.536 20 0 ADADRO C[NH2+][C@@H]1CCCN(C[C@@H]2C[C@H]2C)C1 252970845 487130164 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C[NH2+]CC(=O)N(C)CCC(C)(C)C 258848112 487136075 /nfs/dbraw/zinc/13/60/75/487136075.db2.gz QYKMXYDQRAPRGX-UHFFFAOYSA-N 1 0 186.299 1.100 20 0 ADADRO CC(C)([NH3+])CNCc1ccccc1F 258844164 487136100 /nfs/dbraw/zinc/13/61/00/487136100.db2.gz NEYDJDYJQHZBOX-UHFFFAOYSA-N 1 0 196.269 1.653 20 0 ADADRO CCC(=O)NCC12CCC[NH+]1CCC2 684848711 487136137 /nfs/dbraw/zinc/13/61/37/487136137.db2.gz JYNIGTAWIXKZGH-UHFFFAOYSA-N 1 0 196.294 1.141 20 0 ADADRO CN(CCC1CCCCC1)C(=O)C[NH3+] 258853604 487136188 /nfs/dbraw/zinc/13/61/88/487136188.db2.gz RLAWZZQPYGLCBS-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO C[N@H+](CCC1CCC1)CC(C)(C)O 258889230 487136293 /nfs/dbraw/zinc/13/62/93/487136293.db2.gz QZHURLPITMBETI-UHFFFAOYSA-N 1 0 185.311 1.879 20 0 ADADRO CN(CCC1CCC1)[C@@H]1CC[NH2+]C1 258903314 487136579 /nfs/dbraw/zinc/13/65/79/487136579.db2.gz HTOIHQFKBGAYCA-LLVKDONJSA-N 1 0 182.311 1.470 20 0 ADADRO C[N@H+](CCCO)CCC1CCC1 259149839 487136652 /nfs/dbraw/zinc/13/66/52/487136652.db2.gz XOOOZUFHLCVVBI-UHFFFAOYSA-N 1 0 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Cc1ccsc1CN(C)[C@@H](C)C[NH3+] 260034687 487138175 /nfs/dbraw/zinc/13/81/75/487138175.db2.gz LRSYVFMJVUNQQF-VIFPVBQESA-N 1 0 198.335 1.836 20 0 ADADRO OC/C=C/C[NH2+]C1CCCCCC1 259802443 487138195 /nfs/dbraw/zinc/13/81/95/487138195.db2.gz RXJQXYIKMNCVNF-AATRIKPKSA-N 1 0 183.295 1.847 20 0 ADADRO C[C@H](CN)[N@H+](C)CCC1CCC1 260008727 487138290 /nfs/dbraw/zinc/13/82/90/487138290.db2.gz KIJHKIRQDBNSGX-SECBINFHSA-N 1 0 170.300 1.456 20 0 ADADRO OC/C=C/C[NH2+]C1CCSCC1 259672017 487138358 /nfs/dbraw/zinc/13/83/58/487138358.db2.gz IMGJRPMEMHFKEP-OWOJBTEDSA-N 1 0 187.308 1.020 20 0 ADADRO C[C@@H](CN)[N@H+](C)CCC1CCCC1 260146408 487138399 /nfs/dbraw/zinc/13/83/99/487138399.db2.gz QTHNZNKVWAWQMC-JTQLQIEISA-N 1 0 184.327 1.846 20 0 ADADRO OC/C=C/C[NH2+]C1CCCC1 259509493 487138466 /nfs/dbraw/zinc/13/84/66/487138466.db2.gz ZJOWJBPXTBNFKI-ONEGZZNKSA-N 1 0 155.241 1.067 20 0 ADADRO CCC(=O)N(C)CCC[NH+]1CCCC1 684986271 487138470 /nfs/dbraw/zinc/13/84/70/487138470.db2.gz TVRVQNCZPPFMQN-UHFFFAOYSA-N 1 0 198.310 1.341 20 0 ADADRO C[C@H]1CCC[C@@H]1CNC(=O)C[NH+](C)C 684996327 487138515 /nfs/dbraw/zinc/13/85/15/487138515.db2.gz RIIUTDWKCHVMLM-VHSXEESVSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H](CN)[N@H+](C)CCC1CCCC1 260146410 487138585 /nfs/dbraw/zinc/13/85/85/487138585.db2.gz QTHNZNKVWAWQMC-SNVBAGLBSA-N 1 0 184.327 1.846 20 0 ADADRO C[C@@H]1CCC[C@@H]1CNC(=O)C[NH+](C)C 684996325 487138642 /nfs/dbraw/zinc/13/86/42/487138642.db2.gz RIIUTDWKCHVMLM-NXEZZACHSA-N 1 0 198.310 1.100 20 0 ADADRO CC(C)C[C@@H](C)C[N@@H+]1CCNC(=O)C1 684999836 487138749 /nfs/dbraw/zinc/13/87/49/487138749.db2.gz YCUQRAHYAMRXFU-SNVBAGLBSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@@H]1CCC[C@H]1CNC(=O)C[NH+](C)C 684996328 487138764 /nfs/dbraw/zinc/13/87/64/487138764.db2.gz RIIUTDWKCHVMLM-ZJUUUORDSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H]1CCC[C@H]1CNC(=O)C[NH+](C)C 684996326 487138917 /nfs/dbraw/zinc/13/89/17/487138917.db2.gz RIIUTDWKCHVMLM-UWVGGRQHSA-N 1 0 198.310 1.100 20 0 ADADRO COC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1C 260470999 487138953 /nfs/dbraw/zinc/13/89/53/487138953.db2.gz UJYLUDUIFGMBKD-ZJUUUORDSA-N 1 0 199.294 1.526 20 0 ADADRO COC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C 260470981 487138998 /nfs/dbraw/zinc/13/89/98/487138998.db2.gz UJYLUDUIFGMBKD-NXEZZACHSA-N 1 0 199.294 1.526 20 0 ADADRO COC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C 260470994 487139028 /nfs/dbraw/zinc/13/90/28/487139028.db2.gz UJYLUDUIFGMBKD-VHSXEESVSA-N 1 0 199.294 1.526 20 0 ADADRO COC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C 260470986 487139048 /nfs/dbraw/zinc/13/90/48/487139048.db2.gz UJYLUDUIFGMBKD-UWVGGRQHSA-N 1 0 199.294 1.526 20 0 ADADRO CC(C)C[C@H](C)C[N@@H+]1CCNC(=O)C1 684999835 487139189 /nfs/dbraw/zinc/13/91/89/487139189.db2.gz YCUQRAHYAMRXFU-JTQLQIEISA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H](O)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 685003149 487139569 /nfs/dbraw/zinc/13/95/69/487139569.db2.gz MZBOWJAOMIXNMC-NNYUYHANSA-N 1 0 197.322 1.878 20 0 ADADRO C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 685003147 487139738 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195.306 1.918 20 0 ADADRO C[C@H]1C[N@H+](CCC2CCC2)C[C@H]1O 307216161 487176831 /nfs/dbraw/zinc/17/68/31/487176831.db2.gz LRRDUAFGDPRALM-GXSJLCMTSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@@H]1C[N@H+](CCC2CCC2)C[C@@H]1O 307216165 487176844 /nfs/dbraw/zinc/17/68/44/487176844.db2.gz LRRDUAFGDPRALM-KOLCDFICSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@H]1C[N@H+](CCC2CCC2)CC[C@H]1O 307237039 487176982 /nfs/dbraw/zinc/17/69/82/487176982.db2.gz DYMVTDXCVBUPRJ-CMPLNLGQSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@H]1OCC[C@@H]1[NH2+]CC1=CCCC1 307233965 487177066 /nfs/dbraw/zinc/17/70/66/487177066.db2.gz QVSKGNFSQWNNAY-KOLCDFICSA-N 1 0 181.279 1.864 20 0 ADADRO C[C@@H]1OCC[C@H]1[NH2+]CC1=CCCC1 307233959 487177137 /nfs/dbraw/zinc/17/71/37/487177137.db2.gz QVSKGNFSQWNNAY-GXSJLCMTSA-N 1 0 181.279 1.864 20 0 ADADRO C[C@@H]1C[N@H+](CCC2CCC2)C[C@H]1O 307216169 487177155 /nfs/dbraw/zinc/17/71/55/487177155.db2.gz LRRDUAFGDPRALM-MWLCHTKSSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@@H]1C[N@H+](CCC2CCC2)CC[C@H]1O 307237043 487177206 /nfs/dbraw/zinc/17/72/06/487177206.db2.gz DYMVTDXCVBUPRJ-ZYHUDNBSSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@H]1C[N@H+](CCC2CCC2)CC[C@@H]1O 307237041 487177228 /nfs/dbraw/zinc/17/72/28/487177228.db2.gz DYMVTDXCVBUPRJ-JQWIXIFHSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@@H]1C[N@H+](CCC2CCC2)CC[C@@H]1O 307237042 487177270 /nfs/dbraw/zinc/17/72/70/487177270.db2.gz DYMVTDXCVBUPRJ-PWSUYJOCSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@H]1C[N@H+](CCC2CCC2)C[C@@H]1O 307216174 487177311 /nfs/dbraw/zinc/17/73/11/487177311.db2.gz LRRDUAFGDPRALM-ONGXEEELSA-N 1 0 183.295 1.489 20 0 ADADRO C[NH+](C)CC(C)(C)Nc1ncccn1 307226052 487177323 /nfs/dbraw/zinc/17/73/23/487177323.db2.gz FPBIMMKOPIPVRE-UHFFFAOYSA-N 1 0 194.282 1.229 20 0 ADADRO CC[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 307255471 487177598 /nfs/dbraw/zinc/17/75/98/487177598.db2.gz BCKIZKRNLPBBFZ-AXFHLTTASA-N 1 0 183.295 1.632 20 0 ADADRO CN1CCC([NH2+]CC2=CCCC2)CC1 307261718 487177743 /nfs/dbraw/zinc/17/77/43/487177743.db2.gz QMSURASMLBVJPF-UHFFFAOYSA-N 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O[C@H]1CCC[N@@H+]([C@@H]2CCCOC2)CC1 307375666 487180514 /nfs/dbraw/zinc/18/05/14/487180514.db2.gz VJCFPEOOWAELKA-MNOVXSKESA-N 1 0 199.294 1.012 20 0 ADADRO O[C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)CC1 307375664 487180391 /nfs/dbraw/zinc/18/03/91/487180391.db2.gz VJCFPEOOWAELKA-GHMZBOCLSA-N 1 0 199.294 1.012 20 0 ADADRO O[C@@H]1CCC[N@@H+]([C@H]2CCCOC2)CC1 307375670 487180458 /nfs/dbraw/zinc/18/04/58/487180458.db2.gz VJCFPEOOWAELKA-WDEREUQCSA-N 1 0 199.294 1.012 20 0 ADADRO CC(=O)N1CC[NH2+]C2(CCCCC2)C1 307385452 487180593 /nfs/dbraw/zinc/18/05/93/487180593.db2.gz IHYDLAOYNFDECI-UHFFFAOYSA-N 1 0 196.294 1.141 20 0 ADADRO O[C@H]1CCC[N@@H+]([C@H]2CCCOC2)CC1 307375668 487180621 /nfs/dbraw/zinc/18/06/21/487180621.db2.gz VJCFPEOOWAELKA-QWRGUYRKSA-N 1 0 199.294 1.012 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 307410940 487180671 /nfs/dbraw/zinc/18/06/71/487180671.db2.gz JNTBNJHUXKTDBU-OPRDCNLKSA-N 1 0 183.295 1.800 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 307410938 487180677 /nfs/dbraw/zinc/18/06/77/487180677.db2.gz JNTBNJHUXKTDBU-BBBLOLIVSA-N 1 0 183.295 1.800 20 0 ADADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@](F)(CO)C1 307436993 487180704 /nfs/dbraw/zinc/18/07/04/487180704.db2.gz UHHIVIVLONHBGN-KXUCPTDWSA-N 1 0 187.258 1.049 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+][C@H]1COC(C)(C)C1 307410939 487180810 /nfs/dbraw/zinc/18/08/10/487180810.db2.gz JNTBNJHUXKTDBU-KXUCPTDWSA-N 1 0 183.295 1.800 20 0 ADADRO C1=C(C[NH2+][C@H]2CCOC2)CCC1 307410074 487180816 /nfs/dbraw/zinc/18/08/16/487180816.db2.gz GKWOWNFHFIZSNP-JTQLQIEISA-N 1 0 167.252 1.475 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 307410941 487180878 /nfs/dbraw/zinc/18/08/78/487180878.db2.gz JNTBNJHUXKTDBU-UTLUCORTSA-N 1 0 183.295 1.800 20 0 ADADRO CC[C@](C)([NH3+])c1cn(C(C)(C)C)nn1 307414902 487180913 /nfs/dbraw/zinc/18/09/13/487180913.db2.gz KLTXETDJUKSRGV-JTQLQIEISA-N 1 0 196.298 1.617 20 0 ADADRO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 307415561 487180954 /nfs/dbraw/zinc/18/09/54/487180954.db2.gz KSIQYKQYKKYENC-OSUNSFLBSA-N 1 0 195.306 1.942 20 0 ADADRO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@](F)(CO)C1 307437008 487181023 /nfs/dbraw/zinc/18/10/23/487181023.db2.gz UHHIVIVLONHBGN-UTLUCORTSA-N 1 0 187.258 1.049 20 0 ADADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@](F)(CO)C1 307436985 487181075 /nfs/dbraw/zinc/18/10/75/487181075.db2.gz UHHIVIVLONHBGN-BBBLOLIVSA-N 1 0 187.258 1.049 20 0 ADADRO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@H]12 307415560 487181090 /nfs/dbraw/zinc/18/10/90/487181090.db2.gz KSIQYKQYKKYENC-MJDLHHQISA-N 1 0 195.306 1.942 20 0 ADADRO c1nc(C[NH2+][C@H]2CCC[C@@H]3C[C@H]23)co1 307424435 487181178 /nfs/dbraw/zinc/18/11/78/487181178.db2.gz OKDXJDHMYZTRPS-MIMYLULJSA-N 1 0 192.262 1.953 20 0 ADADRO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 307415563 487181234 /nfs/dbraw/zinc/18/12/34/487181234.db2.gz KSIQYKQYKKYENC-RNWYCLNJSA-N 1 0 195.306 1.942 20 0 ADADRO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@](F)(CO)C1 307437000 487181279 /nfs/dbraw/zinc/18/12/79/487181279.db2.gz 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CC1(C[NH2+][C@@H]2COC(C)(C)C2)COC1 307499894 487182606 /nfs/dbraw/zinc/18/26/06/487182606.db2.gz MCKZWNUZDGTKFW-VIFPVBQESA-N 1 0 199.294 1.180 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1C[C@H](C)CC[C@H]1C 307557489 487183617 /nfs/dbraw/zinc/18/36/17/487183617.db2.gz KXJTWIFTUZSULV-DBIOUOCHSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H]1C[C@@H]1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 307563046 487183646 /nfs/dbraw/zinc/18/36/46/487183646.db2.gz OVMGBYVBPZZZRC-WRWGMCAJSA-N 1 0 194.322 1.326 20 0 ADADRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)C1(C)CC1 307563575 487183653 /nfs/dbraw/zinc/18/36/53/487183653.db2.gz PLSXAKRMTMOOER-RKDXNWHRSA-N 1 0 196.294 1.125 20 0 ADADRO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)O 307557490 487183723 /nfs/dbraw/zinc/18/37/23/487183723.db2.gz KXJTWIFTUZSULV-YTWAJWBKSA-N 1 0 185.311 1.782 20 0 ADADRO C[NH2+][C@H](C)c1cn(C2CCCC2)nn1 307563844 487183795 /nfs/dbraw/zinc/18/37/95/487183795.db2.gz CTSSROUKKJDFEY-MRVPVSSYSA-N 1 0 194.282 1.674 20 0 ADADRO C[C@H](O)C[NH+]1CCC2(CCC2)CC1 307555842 487183900 /nfs/dbraw/zinc/18/39/00/487183900.db2.gz TZOYFABDJDBDOJ-JTQLQIEISA-N 1 0 183.295 1.633 20 0 ADADRO c1cc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)n[nH]1 307562973 487183925 /nfs/dbraw/zinc/18/39/25/487183925.db2.gz LXQSBDZWAYLAIY-GDPRMGEGSA-N 1 0 191.278 1.688 20 0 ADADRO C[C@@H]1C[C@@H]1CN1CC[C@H]2CC[NH2+][C@@H]2C1 307563042 487183981 /nfs/dbraw/zinc/18/39/81/487183981.db2.gz OVMGBYVBPZZZRC-DDHJBXDOSA-N 1 0 194.322 1.326 20 0 ADADRO C[NH2+][C@@H](C)c1cn(C2CCCC2)nn1 307563845 487184011 /nfs/dbraw/zinc/18/40/11/487184011.db2.gz CTSSROUKKJDFEY-QMMMGPOBSA-N 1 0 194.282 1.674 20 0 ADADRO C[C@@H]1C[C@@H]1CN1CC[C@@H]2CC[NH2+][C@H]2C1 307563044 487184093 /nfs/dbraw/zinc/18/40/93/487184093.db2.gz OVMGBYVBPZZZRC-KXNHARMFSA-N 1 0 194.322 1.326 20 0 ADADRO C[C@@H]1C[C@@H]1CN1CC[C@H]2CC[NH2+][C@H]2C1 307563043 487184113 /nfs/dbraw/zinc/18/41/13/487184113.db2.gz OVMGBYVBPZZZRC-KKOKHZNYSA-N 1 0 194.322 1.326 20 0 ADADRO O[C@@H]1CCCC[C@H]1[NH2+]C1(C2CC2)CC1 307569702 487184638 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487221583 /nfs/dbraw/zinc/22/15/83/487221583.db2.gz WXUZMDWDAORIPY-WCBMZHEXSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)C1CCC1 322487404 487221668 /nfs/dbraw/zinc/22/16/68/487221668.db2.gz WXUZMDWDAORIPY-WPRPVWTQSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@H]([NH2+][C@H](C)CC(N)=O)C1CCC1 322487402 487221807 /nfs/dbraw/zinc/22/18/07/487221807.db2.gz WXUZMDWDAORIPY-SCZZXKLOSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)C1CCC1 322487401 487221831 /nfs/dbraw/zinc/22/18/31/487221831.db2.gz WXUZMDWDAORIPY-PSASIEDQSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@](C)(C[NH2+]Cc1ncc[nH]1)OC 322660358 487222184 /nfs/dbraw/zinc/22/21/84/487222184.db2.gz AJNGPBSQRLHQRZ-SNVBAGLBSA-N 1 0 197.282 1.314 20 0 ADADRO CC[C@@H]([NH2+]CCC(=O)NC)C1CCC1 322582310 487222202 /nfs/dbraw/zinc/22/22/02/487222202.db2.gz UVBPPVLAZRYFDN-SNVBAGLBSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@](C)(C[NH2+]Cc1ncc[nH]1)OC 322660354 487222216 /nfs/dbraw/zinc/22/22/16/487222216.db2.gz AJNGPBSQRLHQRZ-JTQLQIEISA-N 1 0 197.282 1.314 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H](C)CC(=O)NC 322620948 487222233 /nfs/dbraw/zinc/22/22/33/487222233.db2.gz NODZWDUUDBGXSQ-RKDXNWHRSA-N 1 0 186.299 1.147 20 0 ADADRO CC[C@@H](C)C[NH2+][C@@H](C)CC(=O)NC 322620945 487222311 /nfs/dbraw/zinc/22/23/11/487222311.db2.gz NODZWDUUDBGXSQ-BDAKNGLRSA-N 1 0 186.299 1.147 20 0 ADADRO CC[C@@H]([NH2+]CCO)C1CCC1 322535080 487222361 /nfs/dbraw/zinc/22/23/61/487222361.db2.gz NHZJGTBUFYODJJ-SECBINFHSA-N 1 0 157.257 1.147 20 0 ADADRO CC[C@H]([NH2+]CCO)C1CCC1 322535086 487222415 /nfs/dbraw/zinc/22/24/15/487222415.db2.gz NHZJGTBUFYODJJ-VIFPVBQESA-N 1 0 157.257 1.147 20 0 ADADRO CC[C@H]([NH2+]CCC(=O)NC)C1CCC1 322582309 487222441 /nfs/dbraw/zinc/22/24/41/487222441.db2.gz UVBPPVLAZRYFDN-JTQLQIEISA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@H](C)C[NH2+][C@@H](C)CC(=O)NC 322620947 487222458 /nfs/dbraw/zinc/22/24/58/487222458.db2.gz NODZWDUUDBGXSQ-IUCAKERBSA-N 1 0 186.299 1.147 20 0 ADADRO CC[C@H](C)C[NH2+][C@H](C)CC(=O)NC 322620946 487222591 /nfs/dbraw/zinc/22/25/91/487222591.db2.gz NODZWDUUDBGXSQ-DTWKUNHWSA-N 1 0 186.299 1.147 20 0 ADADRO CC[C@@](C)(C[NH2+][C@@H](C)COC)OC 322788574 487223011 /nfs/dbraw/zinc/22/30/11/487223011.db2.gz NASCSVUAAXNYSV-UWVGGRQHSA-N 1 0 189.299 1.426 20 0 ADADRO CCC[C@H]([NH2+][C@H](C)C(N)=O)C1CCC1 322739629 487223053 /nfs/dbraw/zinc/22/30/53/487223053.db2.gz XWZFADBADDJCBT-SCZZXKLOSA-N 1 0 198.310 1.419 20 0 ADADRO CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1CCC1 322739627 487223115 /nfs/dbraw/zinc/22/31/15/487223115.db2.gz XWZFADBADDJCBT-PSASIEDQSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@](C)(C[NH2+][C@H]1CCOC1)OC 322748236 487223137 /nfs/dbraw/zinc/22/31/37/487223137.db2.gz CXRZDLCZHLEVPV-VHSXEESVSA-N 1 0 187.283 1.180 20 0 ADADRO CCC[C@@H]([NH2+]CCO)C1CCC1 322834791 487223147 /nfs/dbraw/zinc/22/31/47/487223147.db2.gz JWHONXUHWVVCII-SNVBAGLBSA-N 1 0 171.284 1.537 20 0 ADADRO CC[C@](C)(C[NH2+][C@@H](C)COC)OC 322788575 487223214 /nfs/dbraw/zinc/22/32/14/487223214.db2.gz NASCSVUAAXNYSV-VHSXEESVSA-N 1 0 189.299 1.426 20 0 ADADRO CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1CCC1 322739633 487223164 /nfs/dbraw/zinc/22/31/64/487223164.db2.gz XWZFADBADDJCBT-WPRPVWTQSA-N 1 0 198.310 1.419 20 0 ADADRO CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CCC1 322739630 487223206 /nfs/dbraw/zinc/22/32/06/487223206.db2.gz XWZFADBADDJCBT-WCBMZHEXSA-N 1 0 198.310 1.419 20 0 ADADRO CCC[C@H]([NH2+]CC(=O)NC)C1CCC1 322726864 487223217 /nfs/dbraw/zinc/22/32/17/487223217.db2.gz UZBYSRQLDFCWRR-JTQLQIEISA-N 1 0 198.310 1.291 20 0 ADADRO CCC[C@H]([NH2+]CCO)C1CCC1 322834790 487223287 /nfs/dbraw/zinc/22/32/87/487223287.db2.gz JWHONXUHWVVCII-JTQLQIEISA-N 1 0 171.284 1.537 20 0 ADADRO CCC[C@@H]([NH2+]CC(=O)NC)C1CCC1 322726865 487223290 /nfs/dbraw/zinc/22/32/90/487223290.db2.gz UZBYSRQLDFCWRR-SNVBAGLBSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@](C)(C[NH2+][C@H]1CCOC1)OC 322748234 487223317 /nfs/dbraw/zinc/22/33/17/487223317.db2.gz CXRZDLCZHLEVPV-UWVGGRQHSA-N 1 0 187.283 1.180 20 0 ADADRO CC[C@H]([NH2+][C@H]1CCOC1)C1CCC1 322859045 487223510 /nfs/dbraw/zinc/22/35/10/487223510.db2.gz STRVFSBCBRXCFT-QWRGUYRKSA-N 1 0 183.295 1.944 20 0 ADADRO CC[C@@](C)(C[NH2+]Cc1cc[nH]n1)OC 323078919 487223557 /nfs/dbraw/zinc/22/35/57/487223557.db2.gz YIEXPVKPZFPIKN-JTQLQIEISA-N 1 0 197.282 1.314 20 0 ADADRO CC[C@@H]([NH2+][C@H]1CCOC1)C1CCC1 322859046 487223577 /nfs/dbraw/zinc/22/35/77/487223577.db2.gz STRVFSBCBRXCFT-WDEREUQCSA-N 1 0 183.295 1.944 20 0 ADADRO CC[C@H]([NH2+][C@H](C)CC(=O)NC)C1CC1 322951783 487223602 /nfs/dbraw/zinc/22/36/02/487223602.db2.gz RUKRYJQJHZCWMR-SCZZXKLOSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@](C)(C[NH2+]Cc1cc[nH]n1)OC 323078922 487223720 /nfs/dbraw/zinc/22/37/20/487223720.db2.gz YIEXPVKPZFPIKN-SNVBAGLBSA-N 1 0 197.282 1.314 20 0 ADADRO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)C1CC1 322951786 487223744 /nfs/dbraw/zinc/22/37/44/487223744.db2.gz RUKRYJQJHZCWMR-WPRPVWTQSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@@](C)(C[NH2+]Cc1cc[nH]c1)OC 323022169 487223841 /nfs/dbraw/zinc/22/38/41/487223841.db2.gz JOVUMHCWSOBOJC-NSHDSACASA-N 1 0 196.294 1.919 20 0 ADADRO CCC[C@H]([NH2+]CC(N)=O)C1CCC1 322854232 487223871 /nfs/dbraw/zinc/22/38/71/487223871.db2.gz QUVIVAFUOOBAKU-VIFPVBQESA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@](C)(C[NH2+]Cc1cc[nH]c1)OC 323022167 487223943 /nfs/dbraw/zinc/22/39/43/487223943.db2.gz JOVUMHCWSOBOJC-LLVKDONJSA-N 1 0 196.294 1.919 20 0 ADADRO CCC[C@@H]([NH2+]CC(N)=O)C1CCC1 322854231 487223973 /nfs/dbraw/zinc/22/39/73/487223973.db2.gz QUVIVAFUOOBAKU-SECBINFHSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)C1CC1 322951784 487223980 /nfs/dbraw/zinc/22/39/80/487223980.db2.gz RUKRYJQJHZCWMR-WCBMZHEXSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@H]([NH2+]CCN(C)C)C1CCC1 322845415 487223994 /nfs/dbraw/zinc/22/39/94/487223994.db2.gz NGZSCVYUIRASLX-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)C1CC1 322951781 487224017 /nfs/dbraw/zinc/22/40/17/487224017.db2.gz RUKRYJQJHZCWMR-PSASIEDQSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@@H]([NH2+]CCN(C)C)C1CCC1 322845414 487224033 /nfs/dbraw/zinc/22/40/33/487224033.db2.gz NGZSCVYUIRASLX-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@@H]([NH2+]Cc1cnns1)C1CC1 323700021 487224257 /nfs/dbraw/zinc/22/42/57/487224257.db2.gz IOYFHYIRYOIXQR-SECBINFHSA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@@H]([NH2+]Cc1cn(C)cn1)C1CC1 323692722 487224367 /nfs/dbraw/zinc/22/43/67/487224367.db2.gz HBDGOGMJSIJYJB-LLVKDONJSA-N 1 0 193.294 1.698 20 0 ADADRO CC[C@@H]([NH2+]Cc1ncccn1)C1CC1 323665417 487224383 /nfs/dbraw/zinc/22/43/83/487224383.db2.gz AXFJPPHEDLOCCO-SNVBAGLBSA-N 1 0 191.278 1.755 20 0 ADADRO CC[C@@H]([NH2+]Cc1csnn1)C1CC1 324119619 487224431 /nfs/dbraw/zinc/22/44/31/487224431.db2.gz GMWIPASYXKOAEE-SECBINFHSA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC1 323761923 487224460 /nfs/dbraw/zinc/22/44/60/487224460.db2.gz VDTXMNIFAVZRFI-GMTAPVOTSA-N 1 0 183.295 1.678 20 0 ADADRO CC[C@@H]([NH2+]Cc1nnc(C)o1)C1CC1 323740518 487224573 /nfs/dbraw/zinc/22/45/73/487224573.db2.gz QBEXNVPVGQDFSW-SECBINFHSA-N 1 0 195.266 1.656 20 0 ADADRO CC[C@H]([NH2+]Cc1csnn1)C1CC1 324119622 487224645 /nfs/dbraw/zinc/22/46/45/487224645.db2.gz GMWIPASYXKOAEE-VIFPVBQESA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@H]([NH2+]Cc1nnc(C)o1)C1CC1 323740519 487224677 /nfs/dbraw/zinc/22/46/77/487224677.db2.gz QBEXNVPVGQDFSW-VIFPVBQESA-N 1 0 195.266 1.656 20 0 ADADRO CC[C@H]([NH2+]Cc1ncccn1)C1CC1 323665416 487224704 /nfs/dbraw/zinc/22/47/04/487224704.db2.gz AXFJPPHEDLOCCO-JTQLQIEISA-N 1 0 191.278 1.755 20 0 ADADRO CC[C@H]([NH2+]Cc1cnns1)C1CC1 323700023 487224787 /nfs/dbraw/zinc/22/47/87/487224787.db2.gz IOYFHYIRYOIXQR-VIFPVBQESA-N 1 0 197.307 1.816 20 0 ADADRO CC[C@H]([NH2+]Cc1cn(C)cn1)C1CC1 323692723 487224816 /nfs/dbraw/zinc/22/48/16/487224816.db2.gz HBDGOGMJSIJYJB-NSHDSACASA-N 1 0 193.294 1.698 20 0 ADADRO OCCC[NH2+][C@H](C1CCC1)C1CC1 324955006 487225611 /nfs/dbraw/zinc/22/56/11/487225611.db2.gz CNZAIOUVZDRTMK-LLVKDONJSA-N 1 0 183.295 1.537 20 0 ADADRO OCCC[NH2+][C@@H](C1CCC1)C1CC1 324955007 487225661 /nfs/dbraw/zinc/22/56/61/487225661.db2.gz CNZAIOUVZDRTMK-NSHDSACASA-N 1 0 183.295 1.537 20 0 ADADRO C[C@H](CO)C[NH2+][C@@H](C1CCC1)C1CC1 324703543 487225676 /nfs/dbraw/zinc/22/56/76/487225676.db2.gz AECBVYWYUIDCFO-CABZTGNLSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@@H](CO)C[NH2+][C@H](C1CCC1)C1CC1 324703542 487225707 /nfs/dbraw/zinc/22/57/07/487225707.db2.gz AECBVYWYUIDCFO-BXKDBHETSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@@H](CO)C[NH2+][C@@H](C1CCC1)C1CC1 324703545 487225753 /nfs/dbraw/zinc/22/57/53/487225753.db2.gz AECBVYWYUIDCFO-SKDRFNHKSA-N 1 0 197.322 1.783 20 0 ADADRO OCC[NH2+][C@@H](C1CCC1)C1CC1 324827268 487225781 /nfs/dbraw/zinc/22/57/81/487225781.db2.gz YAZWCXKITZVREF-JTQLQIEISA-N 1 0 169.268 1.147 20 0 ADADRO OCC[NH2+][C@H](C1CCC1)C1CC1 324827269 487225906 /nfs/dbraw/zinc/22/59/06/487225906.db2.gz YAZWCXKITZVREF-SNVBAGLBSA-N 1 0 169.268 1.147 20 0 ADADRO C[C@H](CO)C[NH2+][C@H](C1CCC1)C1CC1 324703544 487226024 /nfs/dbraw/zinc/22/60/24/487226024.db2.gz AECBVYWYUIDCFO-JOYOIKCWSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@H](O)C[NH2+][C@H](C1CCC1)C1CC1 325036862 487226182 /nfs/dbraw/zinc/22/61/82/487226182.db2.gz OCOSEKRVRXIASZ-GZMMTYOYSA-N 1 0 183.295 1.536 20 0 ADADRO CCc1nc(CN[C@H](C)C[NH3+])cs1 328077339 487226191 /nfs/dbraw/zinc/22/61/91/487226191.db2.gz COWIRNCATFZJLS-SSDOTTSWSA-N 1 0 199.323 1.142 20 0 ADADRO C[C@@H](CO)[NH2+][C@@H](C1CCC1)C1CC1 325060224 487226212 /nfs/dbraw/zinc/22/62/12/487226212.db2.gz WYIIYRDNJGAWGH-KWQFWETISA-N 1 0 183.295 1.536 20 0 ADADRO OCCCC[NH2+][C@@H](C1CCC1)C1CC1 324973103 487226234 /nfs/dbraw/zinc/22/62/34/487226234.db2.gz OPMUKYBDFXCAQL-LBPRGKRZSA-N 1 0 197.322 1.927 20 0 ADADRO CN(C)CC[NH2+][C@H](C1CCC1)C1CC1 324991357 487226240 /nfs/dbraw/zinc/22/62/40/487226240.db2.gz VPRVAWAPYVGEMI-GFCCVEGCSA-N 1 0 196.338 1.716 20 0 ADADRO C[C@@H](CO)[NH2+][C@H](C1CCC1)C1CC1 325060222 487226304 /nfs/dbraw/zinc/22/63/04/487226304.db2.gz WYIIYRDNJGAWGH-GZMMTYOYSA-N 1 0 183.295 1.536 20 0 ADADRO C1CC([C@@H]([NH2+][C@H]2CCOC2)C2CC2)C1 324972717 487226318 /nfs/dbraw/zinc/22/63/18/487226318.db2.gz QDFRCUZHSNMJGF-NWDGAFQWSA-N 1 0 195.306 1.944 20 0 ADADRO OCCCC[NH2+][C@H](C1CCC1)C1CC1 324973101 487226327 /nfs/dbraw/zinc/22/63/27/487226327.db2.gz OPMUKYBDFXCAQL-GFCCVEGCSA-N 1 0 197.322 1.927 20 0 ADADRO CC(C)(O)C[NH2+][C@H](C1CCC1)C1CC1 324999274 487226348 /nfs/dbraw/zinc/22/63/48/487226348.db2.gz YMBZLJGZSHCZSX-LLVKDONJSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H](O)C[NH2+][C@H](C1CCC1)C1CC1 325036865 487226352 /nfs/dbraw/zinc/22/63/52/487226352.db2.gz OCOSEKRVRXIASZ-LDYMZIIASA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H](O)CC[NH2+][C@@H](C1CCC1)C1CC1 324997308 487226389 /nfs/dbraw/zinc/22/63/89/487226389.db2.gz XUBHJCVOJZLAAB-CABZTGNLSA-N 1 0 197.322 1.926 20 0 ADADRO CN(C)CC[NH2+][C@@H](C1CCC1)C1CC1 324991358 487226424 /nfs/dbraw/zinc/22/64/24/487226424.db2.gz VPRVAWAPYVGEMI-LBPRGKRZSA-N 1 0 196.338 1.716 20 0 ADADRO C[C@H](O)CC[NH2+][C@H](C1CCC1)C1CC1 324997310 487226434 /nfs/dbraw/zinc/22/64/34/487226434.db2.gz XUBHJCVOJZLAAB-JOYOIKCWSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H](O)C[NH2+][C@@H](C1CCC1)C1CC1 325036864 487226477 /nfs/dbraw/zinc/22/64/77/487226477.db2.gz OCOSEKRVRXIASZ-KWQFWETISA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H](CO)[NH2+][C@@H](C1CCC1)C1CC1 325060223 487226501 /nfs/dbraw/zinc/22/65/01/487226501.db2.gz WYIIYRDNJGAWGH-KCJUWKMLSA-N 1 0 183.295 1.536 20 0 ADADRO C1CC([C@H]([NH2+][C@H]2CCOC2)C2CC2)C1 324972718 487226531 /nfs/dbraw/zinc/22/65/31/487226531.db2.gz QDFRCUZHSNMJGF-RYUDHWBXSA-N 1 0 195.306 1.944 20 0 ADADRO CC(C)(O)C[NH2+][C@@H](C1CCC1)C1CC1 324999275 487226491 /nfs/dbraw/zinc/22/64/91/487226491.db2.gz YMBZLJGZSHCZSX-NSHDSACASA-N 1 0 197.322 1.926 20 0 ADADRO COCC[NH2+][C@@H](C1CCC1)C1CC1 324979469 487226595 /nfs/dbraw/zinc/22/65/95/487226595.db2.gz RZCWPZMHLMNXJM-NSHDSACASA-N 1 0 183.295 1.801 20 0 ADADRO C[C@H](CO)[NH2+][C@H](C1CCC1)C1CC1 325060225 487226611 /nfs/dbraw/zinc/22/66/11/487226611.db2.gz WYIIYRDNJGAWGH-LDYMZIIASA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H](C1CCC1)C1CC1 325036863 487226617 /nfs/dbraw/zinc/22/66/17/487226617.db2.gz OCOSEKRVRXIASZ-KCJUWKMLSA-N 1 0 183.295 1.536 20 0 ADADRO COCC[NH2+][C@H](C1CCC1)C1CC1 324979468 487226671 /nfs/dbraw/zinc/22/66/71/487226671.db2.gz RZCWPZMHLMNXJM-LLVKDONJSA-N 1 0 183.295 1.801 20 0 ADADRO CCCN1CC[C@@H]([NH2+]CC2CC2)C1 328516487 487226932 /nfs/dbraw/zinc/22/69/32/487226932.db2.gz PTTCCLQXPGJOLB-LLVKDONJSA-N 1 0 182.311 1.470 20 0 ADADRO CCCN1CC[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 328377579 487227047 /nfs/dbraw/zinc/22/70/47/487227047.db2.gz UJTSKAAEDJJTPZ-UTUOFQBUSA-N 1 0 196.338 1.716 20 0 ADADRO CCCN1CC[C@H]([NH2+]CC(C)C)C1 328507864 487227190 /nfs/dbraw/zinc/22/71/90/487227190.db2.gz MCGRLAMPVWRVLR-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CCCN1CC[C@@H]([NH2+]CC(C)C)C1 328507863 487227276 /nfs/dbraw/zinc/22/72/76/487227276.db2.gz MCGRLAMPVWRVLR-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO CCCN1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 328377577 487227523 /nfs/dbraw/zinc/22/75/23/487227523.db2.gz UJTSKAAEDJJTPZ-SRVKXCTJSA-N 1 0 196.338 1.716 20 0 ADADRO CC(C)(CC[N@@H+]1CC[C@@H](N)C1)C1CC1 328426495 487227378 /nfs/dbraw/zinc/22/73/78/487227378.db2.gz LTKYQKQBANTQGK-LLVKDONJSA-N 1 0 196.338 1.846 20 0 ADADRO CCCN1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 328156150 487227401 /nfs/dbraw/zinc/22/74/01/487227401.db2.gz GAPOYMBPYJGTLP-JQWIXIFHSA-N 1 0 196.338 1.859 20 0 ADADRO CCCN1CC[C@@H]([NH2+][C@H](C)C2CC2)C1 328156153 487227535 /nfs/dbraw/zinc/22/75/35/487227535.db2.gz GAPOYMBPYJGTLP-ZYHUDNBSSA-N 1 0 196.338 1.859 20 0 ADADRO CCCN1CC[C@H]([NH2+]C[C@H]2C[C@@H]2C)C1 328377578 487227561 /nfs/dbraw/zinc/22/75/61/487227561.db2.gz UJTSKAAEDJJTPZ-TUAOUCFPSA-N 1 0 196.338 1.716 20 0 ADADRO CCCN1CC[C@H]([NH2+][C@H](C)C2CC2)C1 328156152 487227575 /nfs/dbraw/zinc/22/75/75/487227575.db2.gz GAPOYMBPYJGTLP-PWSUYJOCSA-N 1 0 196.338 1.859 20 0 ADADRO CCc1nc(CNCC[NH2+]C)cs1 328235717 487227602 /nfs/dbraw/zinc/22/76/02/487227602.db2.gz FVLFPQVCDSVEAD-UHFFFAOYSA-N 1 0 199.323 1.015 20 0 ADADRO CCCN1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 328377580 487227624 /nfs/dbraw/zinc/22/76/24/487227624.db2.gz UJTSKAAEDJJTPZ-WOPDTQHZSA-N 1 0 196.338 1.716 20 0 ADADRO CCCN1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 328156148 487227678 /nfs/dbraw/zinc/22/76/78/487227678.db2.gz GAPOYMBPYJGTLP-CMPLNLGQSA-N 1 0 196.338 1.859 20 0 ADADRO CCCN1CC[C@H]([NH2+]CC2CC2)C1 328516489 487228090 /nfs/dbraw/zinc/22/80/90/487228090.db2.gz PTTCCLQXPGJOLB-NSHDSACASA-N 1 0 182.311 1.470 20 0 ADADRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(C)(C)N 334851435 487229108 /nfs/dbraw/zinc/22/91/08/487229108.db2.gz CCXCLLZUIKHICZ-SECBINFHSA-N 1 0 184.327 1.844 20 0 ADADRO CC1=CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 335023127 487229202 /nfs/dbraw/zinc/22/92/02/487229202.db2.gz PPILJLADPOZYQP-VXGBXAGGSA-N 1 0 195.306 1.942 20 0 ADADRO [NH3+]CCCN1Cc2cccc(F)c2C1 334856489 487229234 /nfs/dbraw/zinc/22/92/34/487229234.db2.gz ZDHRVCHXWPYFJN-UHFFFAOYSA-N 1 0 194.253 1.490 20 0 ADADRO Cc1occc1C[N@@H+]1CCCOCC1 334841100 487229288 /nfs/dbraw/zinc/22/92/88/487229288.db2.gz LSRKZWGQRGVJOU-UHFFFAOYSA-N 1 0 195.262 1.810 20 0 ADADRO [NH3+]CCCN1CCc2c(F)cccc21 334882584 487229459 /nfs/dbraw/zinc/22/94/59/487229459.db2.gz PQRSYYGCFAGRAJ-UHFFFAOYSA-N 1 0 194.253 1.537 20 0 ADADRO C[C@@H]1C[C@H]([N@H+](C)C2CC(O)C2)CCO1 335395281 487230655 /nfs/dbraw/zinc/23/06/55/487230655.db2.gz MTJFCYNMEMGVPZ-NKVNRFPTSA-N 1 0 199.294 1.009 20 0 ADADRO CCOCC[NH2+]Cc1conc1CC 378681733 487234513 /nfs/dbraw/zinc/23/45/13/487234513.db2.gz XDPWQXVTHMYRJV-UHFFFAOYSA-N 1 0 198.266 1.363 20 0 ADADRO CCOCC(C)(C)[NH2+]Cc1cc[nH]c1 378666554 487233558 /nfs/dbraw/zinc/23/35/58/487233558.db2.gz GSEIFHIQCATANZ-UHFFFAOYSA-N 1 0 196.294 1.919 20 0 ADADRO OC[C@@H]1CC[C@H](C[NH2+]C2CCCC2)O1 378666866 487233593 /nfs/dbraw/zinc/23/35/93/487233593.db2.gz GYWPGCKKVYAPDW-MNOVXSKESA-N 1 0 199.294 1.059 20 0 ADADRO CCc1nocc1C[NH2+][C@H]1CCOC1 378666619 487233729 /nfs/dbraw/zinc/23/37/29/487233729.db2.gz GUEPLPXBAIMMDS-VIFPVBQESA-N 1 0 196.250 1.116 20 0 ADADRO CCc1nocc1C[NH2+][C@@H]1CCOC1 378666616 487233770 /nfs/dbraw/zinc/23/37/70/487233770.db2.gz GUEPLPXBAIMMDS-SECBINFHSA-N 1 0 196.250 1.116 20 0 ADADRO CCOC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 378668809 487233833 /nfs/dbraw/zinc/23/38/33/487233833.db2.gz BXWXGQNWKKSXLV-DBIOUOCHSA-N 1 0 199.294 1.321 20 0 ADADRO C[C@@H](CCCO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378688622 487234251 /nfs/dbraw/zinc/23/42/51/487234251.db2.gz GVTWFWPLFIHYRO-NNYUYHANSA-N 1 0 197.322 1.926 20 0 ADADRO OCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378683517 487234259 /nfs/dbraw/zinc/23/42/59/487234259.db2.gz ZIBSGMLWPLXUNY-IVZWLZJFSA-N 1 0 169.268 1.147 20 0 ADADRO CO[C@@H](C[NH2+]Cc1ccco1)C1CC1 378669128 487234280 /nfs/dbraw/zinc/23/42/80/487234280.db2.gz CDCBSEKWEBBNQY-NSHDSACASA-N 1 0 195.262 1.794 20 0 ADADRO CCc1nocc1C[NH2+][C@H](CC)CO 378672038 487234312 /nfs/dbraw/zinc/23/43/12/487234312.db2.gz KXITYGLRQPYGKM-SECBINFHSA-N 1 0 198.266 1.098 20 0 ADADRO CCc1nocc1C[NH2+][C@@H](C)CCO 378691536 487234321 /nfs/dbraw/zinc/23/43/21/487234321.db2.gz IXCUDDVFQDBUNS-QMMMGPOBSA-N 1 0 198.266 1.098 20 0 ADADRO CCOCC(C)(C)[NH2+]Cc1ccno1 378674448 487234387 /nfs/dbraw/zinc/23/43/87/487234387.db2.gz NMKUWVPJMUQQGT-UHFFFAOYSA-N 1 0 198.266 1.579 20 0 ADADRO CO[C@H](C[NH2+]Cc1ccco1)C1CC1 378669126 487234425 /nfs/dbraw/zinc/23/44/25/487234425.db2.gz CDCBSEKWEBBNQY-LLVKDONJSA-N 1 0 195.262 1.794 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 378711433 487234430 /nfs/dbraw/zinc/23/44/30/487234430.db2.gz UDUAJXPPPHMAST-KYXWUPHJSA-N 1 0 196.294 1.042 20 0 ADADRO CO[C@H](C[NH2+]CCC1CC1)C1CC1 378690619 487234459 /nfs/dbraw/zinc/23/44/59/487234459.db2.gz IHAYLJBHVWQIEB-LLVKDONJSA-N 1 0 183.295 1.801 20 0 ADADRO CCOC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 378668810 487234480 /nfs/dbraw/zinc/23/44/80/487234480.db2.gz BXWXGQNWKKSXLV-ZDCRXTMVSA-N 1 0 199.294 1.321 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1OC 378714998 487234544 /nfs/dbraw/zinc/23/45/44/487234544.db2.gz YAKVDTUFXADSFD-IVZWLZJFSA-N 1 0 187.283 1.178 20 0 ADADRO CCc1nocc1C[NH2+][C@@H](CC)CO 378672039 487234548 /nfs/dbraw/zinc/23/45/48/487234548.db2.gz KXITYGLRQPYGKM-VIFPVBQESA-N 1 0 198.266 1.098 20 0 ADADRO CCC[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 378711431 487234568 /nfs/dbraw/zinc/23/45/68/487234568.db2.gz UDUAJXPPPHMAST-JLIMGVALSA-N 1 0 196.294 1.042 20 0 ADADRO CC(C)(CO)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 378679147 487234597 /nfs/dbraw/zinc/23/45/97/487234597.db2.gz SZASQOFNVXKHDR-AXFHLTTASA-N 1 0 197.322 1.783 20 0 ADADRO CCOCC(C)(C)[NH2+]Cc1cc[nH]n1 378674862 487234608 /nfs/dbraw/zinc/23/46/08/487234608.db2.gz NYZYPRGGTACZLB-UHFFFAOYSA-N 1 0 197.282 1.314 20 0 ADADRO OCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 378683516 487234620 /nfs/dbraw/zinc/23/46/20/487234620.db2.gz ZIBSGMLWPLXUNY-AEJSXWLSSA-N 1 0 169.268 1.147 20 0 ADADRO C[C@H](CCCO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 378688621 487234644 /nfs/dbraw/zinc/23/46/44/487234644.db2.gz GVTWFWPLFIHYRO-KXNHARMFSA-N 1 0 197.322 1.926 20 0 ADADRO CO[C@@H](C[NH2+]CCC1CC1)C1CC1 378690620 487234653 /nfs/dbraw/zinc/23/46/53/487234653.db2.gz IHAYLJBHVWQIEB-NSHDSACASA-N 1 0 183.295 1.801 20 0 ADADRO C[C@@H](CCCO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 378688623 487234693 /nfs/dbraw/zinc/23/46/93/487234693.db2.gz GVTWFWPLFIHYRO-YFKTTZPYSA-N 1 0 197.322 1.926 20 0 ADADRO CCc1nocc1C[NH2+]CC[C@H](C)O 378710722 487234705 /nfs/dbraw/zinc/23/47/05/487234705.db2.gz SWCATVGICQXXKB-QMMMGPOBSA-N 1 0 198.266 1.098 20 0 ADADRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378753357 487235009 /nfs/dbraw/zinc/23/50/09/487235009.db2.gz WJSYLEUCSODTLM-IRCOFANPSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@@H](O)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378733229 487234991 /nfs/dbraw/zinc/23/49/91/487234991.db2.gz LTFZTJTVWYLJTJ-WRWGMCAJSA-N 1 0 197.322 1.926 20 0 ADADRO OCCCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 378744358 487235035 /nfs/dbraw/zinc/23/50/35/487235035.db2.gz QPADINWMRJZSAP-TUAOUCFPSA-N 1 0 197.322 1.927 20 0 ADADRO CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 378753359 487235060 /nfs/dbraw/zinc/23/50/60/487235060.db2.gz WJSYLEUCSODTLM-WHOHXGKFSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@H](O)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 378745559 487235066 /nfs/dbraw/zinc/23/50/66/487235066.db2.gz RFZGPZVRIRJECV-MMWGEVLESA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 378763944 487235071 /nfs/dbraw/zinc/23/50/71/487235071.db2.gz CDPLCTSRMQFYHG-ZDCRXTMVSA-N 1 0 199.294 1.321 20 0 ADADRO CO[C@H](C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 378717988 487235077 /nfs/dbraw/zinc/23/50/77/487235077.db2.gz DBKXDCRBWHJOJM-YTWAJWBKSA-N 1 0 183.295 1.800 20 0 ADADRO CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378717987 487235090 /nfs/dbraw/zinc/23/50/90/487235090.db2.gz DBKXDCRBWHJOJM-UKKRHICBSA-N 1 0 183.295 1.800 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 378715061 487235097 /nfs/dbraw/zinc/23/50/97/487235097.db2.gz YBXHPBFVVFXPOQ-ILAIQSSSSA-N 1 0 199.294 1.319 20 0 ADADRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 378755635 487235293 /nfs/dbraw/zinc/23/52/93/487235293.db2.gz XVBXBWMZPBLXCP-AXTSPUMRSA-N 1 0 196.294 1.029 20 0 ADADRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 378715062 487235146 /nfs/dbraw/zinc/23/51/46/487235146.db2.gz YBXHPBFVVFXPOQ-LXUNUROVSA-N 1 0 199.294 1.319 20 0 ADADRO CCC[C@@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 378733203 487235156 /nfs/dbraw/zinc/23/51/56/487235156.db2.gz LSXTWTXRJLJUCE-QCNOEVLYSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H](O)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 378733225 487235171 /nfs/dbraw/zinc/23/51/71/487235171.db2.gz LTFZTJTVWYLJTJ-KXNHARMFSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H](O)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 378733230 487235181 /nfs/dbraw/zinc/23/51/81/487235181.db2.gz LTFZTJTVWYLJTJ-YFKTTZPYSA-N 1 0 197.322 1.926 20 0 ADADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 378715060 487235188 /nfs/dbraw/zinc/23/51/88/487235188.db2.gz 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1.313 20 0 ADADRO CCCC1(C(=O)N[C@@H](C)C[NH2+]C)CC1 393680532 487268510 /nfs/dbraw/zinc/26/85/10/487268510.db2.gz YVIAWKXBKWPUID-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CCCC1(C(=O)N[C@H](C)C[NH2+]C)CC1 393680530 487268571 /nfs/dbraw/zinc/26/85/71/487268571.db2.gz YVIAWKXBKWPUID-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@](C)(O)C[NH2+][C@H]1CCC[C@@H]2C[C@H]12 393958049 487268813 /nfs/dbraw/zinc/26/88/13/487268813.db2.gz YSBXVUBUPRSEPJ-NOOOWODRSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H](C)[NH2+]CC1(CC)COC1 393981086 487268833 /nfs/dbraw/zinc/26/88/33/487268833.db2.gz OPEANBHCLZPJHQ-SECBINFHSA-N 1 0 171.284 1.801 20 0 ADADRO C[C@@H](CCO)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 393952863 487268896 /nfs/dbraw/zinc/26/88/96/487268896.db2.gz QZQQTUYCTJHJAA-VLEAKVRGSA-N 1 0 183.295 1.536 20 0 ADADRO CC(C)[C@@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 393920626 487268922 /nfs/dbraw/zinc/26/89/22/487268922.db2.gz RSQKKBACJKIQFC-USZNOCQGSA-N 1 0 197.322 1.782 20 0 ADADRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 393920625 487268996 /nfs/dbraw/zinc/26/89/96/487268996.db2.gz RSQKKBACJKIQFC-QCNOEVLYSA-N 1 0 197.322 1.782 20 0 ADADRO CC(C)OC[C@H](C)[NH2+]CC(C)(C)O 393723723 487269165 /nfs/dbraw/zinc/26/91/65/487269165.db2.gz OVERSFUYVAWSFW-VIFPVBQESA-N 1 0 189.299 1.160 20 0 ADADRO CC(C)OC[C@@H](C)[NH2+]CC(C)(C)O 393723722 487269229 /nfs/dbraw/zinc/26/92/29/487269229.db2.gz OVERSFUYVAWSFW-SECBINFHSA-N 1 0 189.299 1.160 20 0 ADADRO C[C@H](CCO)[NH2+][C@H]1CCC[C@@H]2C[C@H]12 393952864 487269233 /nfs/dbraw/zinc/26/92/33/487269233.db2.gz QZQQTUYCTJHJAA-ZNSHCXBVSA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 393958051 487269278 /nfs/dbraw/zinc/26/92/78/487269278.db2.gz YSBXVUBUPRSEPJ-WRWGMCAJSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 393952865 487269389 /nfs/dbraw/zinc/26/93/89/487269389.db2.gz QZQQTUYCTJHJAA-ZRUFSTJUSA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]2C[C@H]12 393958050 487269408 /nfs/dbraw/zinc/26/94/08/487269408.db2.gz YSBXVUBUPRSEPJ-RHYQMDGZSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H](C)[NH2+]CC1(CC)COC1 393981087 487269449 /nfs/dbraw/zinc/26/94/49/487269449.db2.gz OPEANBHCLZPJHQ-VIFPVBQESA-N 1 0 171.284 1.801 20 0 ADADRO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 393920627 487269496 /nfs/dbraw/zinc/26/94/96/487269496.db2.gz RSQKKBACJKIQFC-WHOHXGKFSA-N 1 0 197.322 1.782 20 0 ADADRO CC[C@H](C)CC[NH2+][C@H](C)CC(N)=O 394391245 487269748 /nfs/dbraw/zinc/26/97/48/487269748.db2.gz HSLKNAFNENXNOW-DTWKUNHWSA-N 1 0 186.299 1.276 20 0 ADADRO CC[C@H](C)CC[NH2+]C[C@H](O)CC 394415097 487269761 /nfs/dbraw/zinc/26/97/61/487269761.db2.gz SPSJJZREBHOPIW-VHSXEESVSA-N 1 0 173.300 1.783 20 0 ADADRO CC[C@@H](C)CC[NH2+][C@@H](C)CC(N)=O 394391244 487269774 /nfs/dbraw/zinc/26/97/74/487269774.db2.gz HSLKNAFNENXNOW-BDAKNGLRSA-N 1 0 186.299 1.276 20 0 ADADRO CC[C@H](C)CC[NH2+]C[C@@H](O)CC 394415096 487269787 /nfs/dbraw/zinc/26/97/87/487269787.db2.gz SPSJJZREBHOPIW-UWVGGRQHSA-N 1 0 173.300 1.783 20 0 ADADRO CC[C@@H](C)CC[NH2+]Cc1ccn(C)n1 394400115 487269793 /nfs/dbraw/zinc/26/97/93/487269793.db2.gz FOKHBOZOFNLRAH-SNVBAGLBSA-N 1 0 195.310 1.946 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1ccn(C)n1 394400114 487269831 /nfs/dbraw/zinc/26/98/31/487269831.db2.gz FOKHBOZOFNLRAH-JTQLQIEISA-N 1 0 195.310 1.946 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1cncn1C 394391354 487269912 /nfs/dbraw/zinc/26/99/12/487269912.db2.gz IOFUEOWZBVJOCQ-JTQLQIEISA-N 1 0 195.310 1.946 20 0 ADADRO CC[C@H](C)CC[NH2+][C@@H](C)CC(N)=O 394391246 487269932 /nfs/dbraw/zinc/26/99/32/487269932.db2.gz HSLKNAFNENXNOW-IUCAKERBSA-N 1 0 186.299 1.276 20 0 ADADRO CC[C@@H](C)CC[NH2+][C@H](C)CC(N)=O 394391247 487269950 /nfs/dbraw/zinc/26/99/50/487269950.db2.gz HSLKNAFNENXNOW-RKDXNWHRSA-N 1 0 186.299 1.276 20 0 ADADRO CC[C@@H](C)CC[NH2+]C[C@H](O)CC 394415095 487270050 /nfs/dbraw/zinc/27/00/50/487270050.db2.gz SPSJJZREBHOPIW-NXEZZACHSA-N 1 0 173.300 1.783 20 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SQMZCXPKZFRTEQ-VHSXEESVSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@H](C)CC[NH2+][C@H]1CCOC1 394428153 487270314 /nfs/dbraw/zinc/27/03/14/487270314.db2.gz SQMZCXPKZFRTEQ-UWVGGRQHSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@@H](C)CC[NH2+]Cc1ncc[nH]1 394443118 487270417 /nfs/dbraw/zinc/27/04/17/487270417.db2.gz FPRAAJKBQSDETI-SECBINFHSA-N 1 0 181.283 1.936 20 0 ADADRO CC[C@@H](C)CC[NH2+]Cc1cc[nH]n1 394438116 487270429 /nfs/dbraw/zinc/27/04/29/487270429.db2.gz BRWJENXOTJPNBL-SECBINFHSA-N 1 0 181.283 1.936 20 0 ADADRO CC[C@H](C)CC[NH2+]C[C@@H](O)COC 394429907 487270470 /nfs/dbraw/zinc/27/04/70/487270470.db2.gz UABLLKUCDOUVEL-VHSXEESVSA-N 1 0 189.299 1.020 20 0 ADADRO CC[C@H](C)CC[NH2+]C[C@@H](C)O 394456602 487270524 /nfs/dbraw/zinc/27/05/24/487270524.db2.gz JWMHBQIJMXVVAM-DTWKUNHWSA-N 1 0 159.273 1.393 20 0 ADADRO CC[C@H](C)CC[NH2+]C[C@H](C)O 394456603 487270693 /nfs/dbraw/zinc/27/06/93/487270693.db2.gz JWMHBQIJMXVVAM-IUCAKERBSA-N 1 0 159.273 1.393 20 0 ADADRO CC[C@@H](C)CC[NH2+]C[C@H](C)O 394456601 487270579 /nfs/dbraw/zinc/27/05/79/487270579.db2.gz JWMHBQIJMXVVAM-BDAKNGLRSA-N 1 0 159.273 1.393 20 0 ADADRO CC[C@@H](C)CC[NH2+][C@H]1CCOC1 394428911 487270584 /nfs/dbraw/zinc/27/05/84/487270584.db2.gz SQMZCXPKZFRTEQ-ZJUUUORDSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@@H](C)CC[NH2+]C[C@@H](C)O 394456604 487270597 /nfs/dbraw/zinc/27/05/97/487270597.db2.gz JWMHBQIJMXVVAM-RKDXNWHRSA-N 1 0 159.273 1.393 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1cn(C)nn1 394448185 487270602 /nfs/dbraw/zinc/27/06/02/487270602.db2.gz KEBVAZFZYGJYRT-VIFPVBQESA-N 1 0 196.298 1.341 20 0 ADADRO CC[C@@H](C)CC[NH2+]C[C@H](O)COC 394429909 487270639 /nfs/dbraw/zinc/27/06/39/487270639.db2.gz UABLLKUCDOUVEL-ZJUUUORDSA-N 1 0 189.299 1.020 20 0 ADADRO CC[C@@H](C)CC[NH2+]Cc1cn(C)nn1 394448184 487270685 /nfs/dbraw/zinc/27/06/85/487270685.db2.gz KEBVAZFZYGJYRT-SECBINFHSA-N 1 0 196.298 1.341 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1ncc[nH]1 394443120 487270697 /nfs/dbraw/zinc/27/06/97/487270697.db2.gz FPRAAJKBQSDETI-VIFPVBQESA-N 1 0 181.283 1.936 20 0 ADADRO CC[C@@H](C)CC[NH2+][C@@H]1CCOC1 394428151 487270721 /nfs/dbraw/zinc/27/07/21/487270721.db2.gz SQMZCXPKZFRTEQ-NXEZZACHSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1cc[nH]n1 394438120 487270733 /nfs/dbraw/zinc/27/07/33/487270733.db2.gz BRWJENXOTJPNBL-VIFPVBQESA-N 1 0 181.283 1.936 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1ccnn1C 394460630 487270759 /nfs/dbraw/zinc/27/07/59/487270759.db2.gz QXLIVZLZYJAPMX-JTQLQIEISA-N 1 0 195.310 1.946 20 0 ADADRO CC[C@@H](C)CC[NH2+]C[C@@H](O)COC 394429904 487270779 /nfs/dbraw/zinc/27/07/79/487270779.db2.gz UABLLKUCDOUVEL-NXEZZACHSA-N 1 0 189.299 1.020 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1cnn(C)c1 394466009 487270811 /nfs/dbraw/zinc/27/08/11/487270811.db2.gz XDHPNUMVBAXFIC-JTQLQIEISA-N 1 0 195.310 1.946 20 0 ADADRO CC[C@@H](C)CC[NH2+]Cc1cnn(C)c1 394466011 487270850 /nfs/dbraw/zinc/27/08/50/487270850.db2.gz XDHPNUMVBAXFIC-SNVBAGLBSA-N 1 0 195.310 1.946 20 0 ADADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCN 394802518 487271055 /nfs/dbraw/zinc/27/10/55/487271055.db2.gz UFPNDCBIDGVGQR-GHMZBOCLSA-N 1 0 184.327 1.703 20 0 ADADRO CCc1cnc(CN(C)CC[NH3+])s1 394710767 487271138 /nfs/dbraw/zinc/27/11/38/487271138.db2.gz UHUPZRIZIGRDRO-UHFFFAOYSA-N 1 0 199.323 1.096 20 0 ADADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)CCN 394802794 487271218 /nfs/dbraw/zinc/27/12/18/487271218.db2.gz UFPNDCBIDGVGQR-WDEREUQCSA-N 1 0 184.327 1.703 20 0 ADADRO CC[C@H](C)CC[NH2+]CC1(O)CCC1 394472114 487271427 /nfs/dbraw/zinc/27/14/27/487271427.db2.gz SHAHJIZXBJAOJU-JTQLQIEISA-N 1 0 185.311 1.927 20 0 ADADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)CCN 394802522 487271488 /nfs/dbraw/zinc/27/14/88/487271488.db2.gz UFPNDCBIDGVGQR-MNOVXSKESA-N 1 0 184.327 1.703 20 0 ADADRO C[C@H]1CCCC[C@H]1C[N@H+](C)CCN 394802527 487271542 /nfs/dbraw/zinc/27/15/42/487271542.db2.gz UFPNDCBIDGVGQR-QWRGUYRKSA-N 1 0 184.327 1.703 20 0 ADADRO CC[C@@H](C)CC[NH2+]CC1(O)CCC1 394472116 487271560 /nfs/dbraw/zinc/27/15/60/487271560.db2.gz SHAHJIZXBJAOJU-SNVBAGLBSA-N 1 0 185.311 1.927 20 0 ADADRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC1 395332160 487272109 /nfs/dbraw/zinc/27/21/09/487272109.db2.gz HHBGJKZMBAIYGQ-GMTAPVOTSA-N 1 0 183.295 1.800 20 0 ADADRO CC[C@H](C)[NH2+]CCC(C)(C)CO 395179795 487272145 /nfs/dbraw/zinc/27/21/45/487272145.db2.gz UWVRIPIIGOIDQT-VIFPVBQESA-N 1 0 173.300 1.783 20 0 ADADRO CC[C@@H](C)[NH2+]CCC(C)(C)CO 395179793 487272206 /nfs/dbraw/zinc/27/22/06/487272206.db2.gz UWVRIPIIGOIDQT-SECBINFHSA-N 1 0 173.300 1.783 20 0 ADADRO CC1(C)CC([NH2+]CC(=O)NC2CC2)C1 395232596 487272378 /nfs/dbraw/zinc/27/23/78/487272378.db2.gz VIEABNOFAODZEU-UHFFFAOYSA-N 1 0 196.294 1.043 20 0 ADADRO CC[C@](C)([NH3+])c1cn(CC(C)C)nn1 395267833 487272415 /nfs/dbraw/zinc/27/24/15/487272415.db2.gz OCTGFONTBYPDJT-JTQLQIEISA-N 1 0 196.298 1.518 20 0 ADADRO CC[C@@](C)([NH3+])c1cn(CC(C)C)nn1 395267834 487272425 /nfs/dbraw/zinc/27/24/25/487272425.db2.gz OCTGFONTBYPDJT-SNVBAGLBSA-N 1 0 196.298 1.518 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H](C)CCCOC 395424778 487272906 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20 0 ADADRO CN(Cc1cncs1)CC(C)(C)[NH3+] 400358296 487288044 /nfs/dbraw/zinc/28/80/44/487288044.db2.gz LVAKCDZDLCYGJC-UHFFFAOYSA-N 1 0 199.323 1.312 20 0 ADADRO COC1CC([NH2+]CC2=CCCC2)C1 401080234 487288402 /nfs/dbraw/zinc/28/84/02/487288402.db2.gz MZXYIDHDJSUYIA-UHFFFAOYSA-N 1 0 181.279 1.864 20 0 ADADRO CC[C@H](O)C[NH2+]CC1=CCCC1 401164347 487288455 /nfs/dbraw/zinc/28/84/55/487288455.db2.gz KJDWKRPPVIBVMW-JTQLQIEISA-N 1 0 169.268 1.457 20 0 ADADRO Cn1cc(C[NH2+]CC2=CCCC2)nn1 401147253 487288469 /nfs/dbraw/zinc/28/84/69/487288469.db2.gz JKQZFNLBPNZKAL-UHFFFAOYSA-N 1 0 192.266 1.015 20 0 ADADRO Cn1nncc1C[NH2+]CC1=CCCC1 401151782 487288564 /nfs/dbraw/zinc/28/85/64/487288564.db2.gz LBUXSHGZSLYSEM-UHFFFAOYSA-N 1 0 192.266 1.015 20 0 ADADRO Cn1ccc(C[NH2+]CC2=CCCC2)n1 401051553 487288556 /nfs/dbraw/zinc/28/85/56/487288556.db2.gz WSCOFPCDZZRNSQ-UHFFFAOYSA-N 1 0 191.278 1.620 20 0 ADADRO CC[C@@H](O)C[NH2+]CC1=CCCC1 401164348 487288569 /nfs/dbraw/zinc/28/85/69/487288569.db2.gz 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/nfs/dbraw/zinc/60/42/90/582604290.db2.gz ATFPXGMJORPMLT-VIFPVBQESA-N 1 0 174.288 1.291 20 0 ADADRO CC1(C)CC[C@H]([NH2+]CCCON)C1 902425423 582604293 /nfs/dbraw/zinc/60/42/93/582604293.db2.gz NKJZKKYQTOTARU-VIFPVBQESA-N 1 0 186.299 1.435 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCON 902418382 582604315 /nfs/dbraw/zinc/60/43/15/582604315.db2.gz FAQZDRVBRTXLJM-ZJUUUORDSA-N 1 0 186.299 1.435 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]CC1(N)CC1 902418569 582604321 /nfs/dbraw/zinc/60/43/21/582604321.db2.gz WRABGECLKBVPMU-BDAKNGLRSA-N 1 0 168.284 1.256 20 0 ADADRO CC[C@H]1CCC[C@@H]1[NH2+]CCCON 902420472 582604349 /nfs/dbraw/zinc/60/43/49/582604349.db2.gz XCIFLQQMENMIIN-UWVGGRQHSA-N 1 0 186.299 1.435 20 0 ADADRO NOCCC[NH2+]C1CCC2(CC1)CC2 902422119 582604351 /nfs/dbraw/zinc/60/43/51/582604351.db2.gz CYNIQCGLYNFDSK-UHFFFAOYSA-N 1 0 198.310 1.579 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCON 902417788 582604362 /nfs/dbraw/zinc/60/43/62/582604362.db2.gz ZXCKOAIHQWVZSQ-BDAKNGLRSA-N 1 0 172.272 1.045 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]CCCON)C1 902423482 582604369 /nfs/dbraw/zinc/60/43/69/582604369.db2.gz XPIUCIDZQMPGRY-IUCAKERBSA-N 1 0 172.272 1.045 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]CCCON 902420981 582604371 /nfs/dbraw/zinc/60/43/71/582604371.db2.gz MODGDPPEKDNYQP-BDAKNGLRSA-N 1 0 172.272 1.045 20 0 ADADRO CC(C)[C@@H]([NH2+]CCCON)C1CC1 902418898 582604379 /nfs/dbraw/zinc/60/43/79/582604379.db2.gz OPTMNKDMKVJDJA-SNVBAGLBSA-N 1 0 186.299 1.291 20 0 ADADRO CCCC[C@H](CC)[NH2+]CCCON 902418981 582604381 /nfs/dbraw/zinc/60/43/81/582604381.db2.gz GCABKHPPWBOIPH-JTQLQIEISA-N 1 0 188.315 1.825 20 0 ADADRO CCC[C@H](C)[NH2+]CCCON 902422254 582604383 /nfs/dbraw/zinc/60/43/83/582604383.db2.gz RGYBQZDISHUKLV-QMMMGPOBSA-N 1 0 160.261 1.045 20 0 ADADRO CC[C@@H]([NH2+]CCCON)C(C)C 902431580 582604388 /nfs/dbraw/zinc/60/43/88/582604388.db2.gz MQWGUEJVFLHQJY-SECBINFHSA-N 1 0 174.288 1.291 20 0 ADADRO CCCCC[C@H](C)[NH2+]CCCON 902424189 582604397 /nfs/dbraw/zinc/60/43/97/582604397.db2.gz ZNRJZEZOWBKODT-JTQLQIEISA-N 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MODGDPPEKDNYQP-IUCAKERBSA-N 1 0 172.272 1.045 20 0 ADADRO C[C@H](CCC1CC1)[NH2+]CCCON 902426109 582604419 /nfs/dbraw/zinc/60/44/19/582604419.db2.gz QLGRUGZLBKEJJK-SECBINFHSA-N 1 0 186.299 1.435 20 0 ADADRO C[C@@H]([NH2+]CCCON)C(C)(C)C 902420984 582604424 /nfs/dbraw/zinc/60/44/24/582604424.db2.gz ZESQGKOWWIDOAQ-MRVPVSSYSA-N 1 0 174.288 1.291 20 0 ADADRO CC[C@H]([NH2+]CCCON)C(C)C 902431582 582604442 /nfs/dbraw/zinc/60/44/42/582604442.db2.gz MQWGUEJVFLHQJY-VIFPVBQESA-N 1 0 174.288 1.291 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+]CCCON 902418381 582604443 /nfs/dbraw/zinc/60/44/43/582604443.db2.gz FAQZDRVBRTXLJM-VHSXEESVSA-N 1 0 186.299 1.435 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]CCCON 902420988 582604446 /nfs/dbraw/zinc/60/44/46/582604446.db2.gz MODGDPPEKDNYQP-RKDXNWHRSA-N 1 0 172.272 1.045 20 0 ADADRO CC[C@H]1CCC[C@H]1[NH2+]CCCON 902420473 582604449 /nfs/dbraw/zinc/60/44/49/582604449.db2.gz XCIFLQQMENMIIN-VHSXEESVSA-N 1 0 186.299 1.435 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]CC1(N)CC1 902418572 582604453 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20 0 ADADRO COC[C@H](C)[N@@H+]1CCC[C@H](F)C1 902992064 582620552 /nfs/dbraw/zinc/62/05/52/582620552.db2.gz GJURPFISHXXRSN-IUCAKERBSA-N 1 0 175.247 1.455 20 0 ADADRO F[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 902996144 582620624 /nfs/dbraw/zinc/62/06/24/582620624.db2.gz QHHSSLIUHWNRNP-VHSXEESVSA-N 1 0 187.258 1.457 20 0 ADADRO CC[C@@H](CO)[N@@H+]1CCC[C@H](F)C1 902992118 582620676 /nfs/dbraw/zinc/62/06/76/582620676.db2.gz HJFNARDFLCAYCA-IUCAKERBSA-N 1 0 175.247 1.191 20 0 ADADRO F[C@H]1CCC[N@H+](CCn2cccn2)C1 902993553 582620710 /nfs/dbraw/zinc/62/07/10/582620710.db2.gz URMCLAAGPYPBGG-JTQLQIEISA-N 1 0 197.257 1.317 20 0 ADADRO CC[C@H](CO)[N@@H+]1CCC[C@@H](F)C1 902992119 582620797 /nfs/dbraw/zinc/62/07/97/582620797.db2.gz HJFNARDFLCAYCA-RKDXNWHRSA-N 1 0 175.247 1.191 20 0 ADADRO COCC[N@@H+]1CCC[C@H](F)C1 902995502 582620813 /nfs/dbraw/zinc/62/08/13/582620813.db2.gz NCSVIPNVAFBGOR-QMMMGPOBSA-N 1 0 161.220 1.067 20 0 ADADRO CC[C@H](C[N@@H+]1CCC[C@H](F)C1)OC 902992420 582620882 /nfs/dbraw/zinc/62/08/82/582620882.db2.gz KTOZJYZSPMXLEI-VHSXEESVSA-N 1 0 189.274 1.845 20 0 ADADRO CC(C)OCC[N@@H+]1CCC[C@H](F)C1 902994489 582620888 /nfs/dbraw/zinc/62/08/88/582620888.db2.gz CWYNIEZASLIIFI-JTQLQIEISA-N 1 0 189.274 1.845 20 0 ADADRO F[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 903000426 582620967 /nfs/dbraw/zinc/62/09/67/582620967.db2.gz GBMWJKGUNBHLDV-NXEZZACHSA-N 1 0 187.258 1.599 20 0 ADADRO CCOCCC[N@@H+]1CCC[C@H](F)C1 902998768 582620983 /nfs/dbraw/zinc/62/09/83/582620983.db2.gz PFYBVPZINPNBPR-JTQLQIEISA-N 1 0 189.274 1.847 20 0 ADADRO CCC1([NH2+][C@@H](C)c2cn(C)nn2)CC1 903007205 582620990 /nfs/dbraw/zinc/62/09/90/582620990.db2.gz WESQBLHGXVECGC-QMMMGPOBSA-N 1 0 194.282 1.408 20 0 ADADRO COCC[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 902998820 582621053 /nfs/dbraw/zinc/62/10/53/582621053.db2.gz QHSSWGJZVUMTLD-NXEZZACHSA-N 1 0 189.274 1.845 20 0 ADADRO FCCC[N@@H+]1CCC[C@@H](F)C1 902998903 582621153 /nfs/dbraw/zinc/62/11/53/582621153.db2.gz RQDNIUJNQGCJFG-MRVPVSSYSA-N 1 0 163.211 1.780 20 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KUUJFERSVWVWLF-GORDUTHDSA-N 1 0 174.675 1.210 20 0 ADADRO CC(C)(C)[C@@H](C[NH3+])NC/C=C/Cl 846220762 583154146 /nfs/dbraw/zinc/15/41/46/583154146.db2.gz PQWZQCNCXXMQRG-WTSVBCDHSA-N 1 0 190.718 1.702 20 0 ADADRO CN(CC[NH3+])C(=O)/C=C/C1CCCC1 846682391 583159009 /nfs/dbraw/zinc/15/90/09/583159009.db2.gz OVFGGTLYVWHZGT-VOTSOKGWSA-N 1 0 196.294 1.150 20 0 ADADRO C[NH2+]CCNC(=O)/C=C\C1CCCC1 846665558 583158633 /nfs/dbraw/zinc/15/86/33/583158633.db2.gz MJZOQZKZYQIXHN-SREVYHEPSA-N 1 0 196.294 1.068 20 0 ADADRO CCCC(C)(C)C(=O)N[C@@H](C)C[NH3+] 846675029 583158689 /nfs/dbraw/zinc/15/86/89/583158689.db2.gz JQDXYQGFXNGFGM-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO C[C@@H]([NH3+])CNC(=O)/C=C/C1CCCC1 846681709 583158772 /nfs/dbraw/zinc/15/87/72/583158772.db2.gz VGSHEZZDQCRIBN-XCODYQFDSA-N 1 0 196.294 1.196 20 0 ADADRO C[NH2+]CCNC(=O)/C=C/C1CCCC1 846665559 583158884 /nfs/dbraw/zinc/15/88/84/583158884.db2.gz MJZOQZKZYQIXHN-VOTSOKGWSA-N 1 0 196.294 1.068 20 0 ADADRO C[C@H](C[NH3+])NC(=O)/C=C/C1CCCC1 846675995 583158896 /nfs/dbraw/zinc/15/88/96/583158896.db2.gz AODCUPVGEYENGN-XCODYQFDSA-N 1 0 196.294 1.196 20 0 ADADRO C[C@H]([NH3+])CNC(=O)/C=C/C1CCCC1 846681707 583158952 /nfs/dbraw/zinc/15/89/52/583158952.db2.gz VGSHEZZDQCRIBN-UCUJLANTSA-N 1 0 196.294 1.196 20 0 ADADRO C[C@@H]([NH3+])CNC(=O)/C=C\C1CCCC1 846681702 583159036 /nfs/dbraw/zinc/15/90/36/583159036.db2.gz VGSHEZZDQCRIBN-ATJFRQLMSA-N 1 0 196.294 1.196 20 0 ADADRO C[C@H](C[NH3+])NC(=O)/C=C\C1CCCC1 846675994 583159061 /nfs/dbraw/zinc/15/90/61/583159061.db2.gz AODCUPVGEYENGN-ATJFRQLMSA-N 1 0 196.294 1.196 20 0 ADADRO CN(CC[NH3+])C(=O)/C=C\C1CCCC1 846682389 583159100 /nfs/dbraw/zinc/15/91/00/583159100.db2.gz OVFGGTLYVWHZGT-SREVYHEPSA-N 1 0 196.294 1.150 20 0 ADADRO C[C@@H](C[NH3+])NC(=O)[C@H]1CC[C@H](C)CC1 846674532 583159154 /nfs/dbraw/zinc/15/91/54/583159154.db2.gz AMIOCCCKHPSSDC-GUBZILKMSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@H]([NH3+])CNC(=O)/C=C\C1CCCC1 846681705 583159159 /nfs/dbraw/zinc/15/91/59/583159159.db2.gz VGSHEZZDQCRIBN-NMTCXDENSA-N 1 0 196.294 1.196 20 0 ADADRO C[C@@H](C[NH3+])NC(=O)/C=C\C1CCCC1 846674533 583159219 /nfs/dbraw/zinc/15/92/19/583159219.db2.gz AODCUPVGEYENGN-NMTCXDENSA-N 1 0 196.294 1.196 20 0 ADADRO C[C@@H](C[NH3+])NC(=O)/C=C/C1CCCC1 846674534 583159233 /nfs/dbraw/zinc/15/92/33/583159233.db2.gz AODCUPVGEYENGN-UCUJLANTSA-N 1 0 196.294 1.196 20 0 ADADRO CC[N@H+](CCCC(=O)NC)C(C)C 846778651 583159666 /nfs/dbraw/zinc/15/96/66/583159666.db2.gz YLZJFJUOVCSEHD-UHFFFAOYSA-N 1 0 186.299 1.243 20 0 ADADRO CC[N@H+](CC[C@@H]1CCNC1=O)C(C)C 846777070 583160381 /nfs/dbraw/zinc/16/03/81/583160381.db2.gz DFXFNSXXYIZOEC-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[N@H+](CC[C@H]1CCNC1=O)C(C)C 846777071 583160398 /nfs/dbraw/zinc/16/03/98/583160398.db2.gz DFXFNSXXYIZOEC-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO FCC[N@@H+]1CC[C@@H](c2ccncc2)C1 846908509 583160816 /nfs/dbraw/zinc/16/08/16/583160816.db2.gz VHMKVGVHJOSVRE-LLVKDONJSA-N 1 0 194.253 1.840 20 0 ADADRO FCC[N@@H+]1CC[C@H](c2ccncc2)C1 846908511 583160832 /nfs/dbraw/zinc/16/08/32/583160832.db2.gz VHMKVGVHJOSVRE-NSHDSACASA-N 1 0 194.253 1.840 20 0 ADADRO OC[C@@H]([NH2+]Cc1ccco1)C1CC1 107128239 583164663 /nfs/dbraw/zinc/16/46/63/583164663.db2.gz WYIIEYZIONGIQL-SNVBAGLBSA-N 1 0 181.235 1.140 20 0 ADADRO CON1CC[NH+](CC=C(C)C)CC1 846971667 583160934 /nfs/dbraw/zinc/16/09/34/583160934.db2.gz MWFQNWQZPZJSMT-UHFFFAOYSA-N 1 0 184.283 1.132 20 0 ADADRO OC[C@H]([NH2+]Cc1ccco1)C1CC1 107128238 583164666 /nfs/dbraw/zinc/16/46/66/583164666.db2.gz WYIIEYZIONGIQL-JTQLQIEISA-N 1 0 181.235 1.140 20 0 ADADRO OCC[C@@H]([NH2+]Cc1ccco1)C1CC1 107138521 583164676 /nfs/dbraw/zinc/16/46/76/583164676.db2.gz VWXYJQYVEWGMSU-LLVKDONJSA-N 1 0 195.262 1.530 20 0 ADADRO CCC[N@H+](CC1OCCO1)C(C)C 847029948 583161388 /nfs/dbraw/zinc/16/13/88/583161388.db2.gz YYXSHROMAWTRQN-UHFFFAOYSA-N 1 0 187.283 1.480 20 0 ADADRO CCC[N@H+](Cc1cnn(C)n1)C(C)C 847028960 583161434 /nfs/dbraw/zinc/16/14/34/583161434.db2.gz SMOAULZKDUGCND-UHFFFAOYSA-N 1 0 196.298 1.436 20 0 ADADRO CCC[N@H+](Cc1nonc1C)C(C)C 847023306 583161568 /nfs/dbraw/zinc/16/15/68/583161568.db2.gz BTQNMWASXAXKAE-UHFFFAOYSA-N 1 0 197.282 1.998 20 0 ADADRO CC(C)[NH2+][C@@H](CCO)C1CC1 107118805 583164529 /nfs/dbraw/zinc/16/45/29/583164529.db2.gz VTGLFLYMWBUGRZ-VIFPVBQESA-N 1 0 157.257 1.145 20 0 ADADRO OCC[C@H]([NH2+]Cc1ccco1)C1CC1 107138518 583164624 /nfs/dbraw/zinc/16/46/24/583164624.db2.gz VWXYJQYVEWGMSU-NSHDSACASA-N 1 0 195.262 1.530 20 0 ADADRO CC(C)[NH2+][C@H](CCO)C1CC1 107118808 583164809 /nfs/dbraw/zinc/16/48/09/583164809.db2.gz VTGLFLYMWBUGRZ-SECBINFHSA-N 1 0 157.257 1.145 20 0 ADADRO [NH3+]Cc1cnn(-c2ccc(O)cc2)c1 107349794 583165313 /nfs/dbraw/zinc/16/53/13/583165313.db2.gz VERXENQHCHTZLO-UHFFFAOYSA-N 1 0 189.218 1.037 20 0 ADADRO C=C=CCNC(=O)[C@@H](C(C)C)[NH+](C)C 848115522 583166811 /nfs/dbraw/zinc/16/68/11/583166811.db2.gz IOTQEMOTLOBQDQ-SNVBAGLBSA-N 1 0 196.294 1.030 20 0 ADADRO C=C=CCNC(=O)CCCC[NH+](C)C 848116385 583166968 /nfs/dbraw/zinc/16/69/68/583166968.db2.gz KCKWJYVRPSCROV-UHFFFAOYSA-N 1 0 196.294 1.176 20 0 ADADRO C=C=CCNC(=O)[C@H](C(C)C)[NH+](C)C 848115521 583167002 /nfs/dbraw/zinc/16/70/02/583167002.db2.gz IOTQEMOTLOBQDQ-JTQLQIEISA-N 1 0 196.294 1.030 20 0 ADADRO CCC(N)=[NH+]OCc1ccc(C)nc1 848511045 583168613 /nfs/dbraw/zinc/16/86/13/583168613.db2.gz XCPVFCALWJOFOX-UHFFFAOYSA-N 1 0 193.250 1.798 20 0 ADADRO CCC(N)=[NH+]OCc1conc1CC 848511125 583169191 /nfs/dbraw/zinc/16/91/91/583169191.db2.gz YAEYKYACBABDQE-UHFFFAOYSA-N 1 0 197.238 1.645 20 0 ADADRO CCCCNC(=[NH2+])NC[C@H]1CC1(C)C 849008415 583173646 /nfs/dbraw/zinc/17/36/46/583173646.db2.gz DZDOJJSGAUHELC-SECBINFHSA-N 1 0 197.326 1.947 20 0 ADADRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC1(C)C 849009007 583173783 /nfs/dbraw/zinc/17/37/83/583173783.db2.gz XWWOKAYESBHFFA-RKDXNWHRSA-N 1 0 197.326 1.945 20 0 ADADRO C[NH2+][C@@H](C)c1nc(-c2cocn2)no1 848626304 583170321 /nfs/dbraw/zinc/17/03/21/583170321.db2.gz AFTYCBMCWKXTJY-YFKPBYRVSA-N 1 0 194.194 1.005 20 0 ADADRO CC(C)CCNC(=[NH2+])NC[C@@H]1C[C@H]1C 848990480 583170559 /nfs/dbraw/zinc/17/05/59/583170559.db2.gz NPBJPAHUXXQFGD-ZJUUUORDSA-N 1 0 197.326 1.802 20 0 ADADRO CCOC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 107936758 583170691 /nfs/dbraw/zinc/17/06/91/583170691.db2.gz LGSFEQCSOIAEAK-SNVBAGLBSA-N 1 0 199.294 1.527 20 0 ADADRO C/C=C(\C)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C 848940624 583170758 /nfs/dbraw/zinc/17/07/58/583170758.db2.gz RSWXYZZLSDVKLD-PSVJHUJZSA-N 1 0 196.294 1.291 20 0 ADADRO CCN(CC)C(=[NH2+])NCC1CCC1 848991010 583170848 /nfs/dbraw/zinc/17/08/48/583170848.db2.gz RMXJYPZOIDTYJR-UHFFFAOYSA-N 1 0 183.299 1.653 20 0 ADADRO Cc1nc(CNC(=[NH2+])N(C)C)cs1 848983768 583170852 /nfs/dbraw/zinc/17/08/52/583170852.db2.gz ZSUHQYQKQKWJTH-UHFFFAOYSA-N 1 0 198.295 1.037 20 0 ADADRO [NH2+]=C(NCC1CCCC1)NC1CCC1 848986486 583170954 /nfs/dbraw/zinc/17/09/54/583170954.db2.gz XMOBWHLATJJEFF-UHFFFAOYSA-N 1 0 195.310 1.843 20 0 ADADRO CCOC(=O)[C@H]1CC[N@H+](CC(C)C)C1 107936761 583171133 /nfs/dbraw/zinc/17/11/33/583171133.db2.gz LGSFEQCSOIAEAK-JTQLQIEISA-N 1 0 199.294 1.527 20 0 ADADRO C/C=C(/C)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C 848940625 583171256 /nfs/dbraw/zinc/17/12/56/583171256.db2.gz RSWXYZZLSDVKLD-QPGUZKIZSA-N 1 0 196.294 1.291 20 0 ADADRO CCOCCCNC(=[NH2+])NC1CCC1 848980803 583171438 /nfs/dbraw/zinc/17/14/38/583171438.db2.gz MYGLNOXGMALWBZ-UHFFFAOYSA-N 1 0 199.298 1.079 20 0 ADADRO Cc1ccccc1CNC(=[NH2+])N(C)C 848981829 583171666 /nfs/dbraw/zinc/17/16/66/583171666.db2.gz KGKWKIWCORDDCU-UHFFFAOYSA-N 1 0 191.278 1.581 20 0 ADADRO CCCCNC(=[NH2+])Nc1ccccn1 848980518 583171467 /nfs/dbraw/zinc/17/14/67/583171467.db2.gz VPHHOCLJOJDBDE-UHFFFAOYSA-N 1 0 192.266 1.818 20 0 ADADRO CC(C)CCNC(=[NH2+])NC1CCC1 848980357 583171469 /nfs/dbraw/zinc/17/14/69/583171469.db2.gz DWZNRNHBLDYZGF-UHFFFAOYSA-N 1 0 183.299 1.699 20 0 ADADRO CN(C)C(=[NH2+])NCc1ccccc1F 848980867 583171476 /nfs/dbraw/zinc/17/14/76/583171476.db2.gz CIRXZUSFTYIQCX-UHFFFAOYSA-N 1 0 195.241 1.412 20 0 ADADRO COCCCNC(=[NH2+])N1CCCCC1 848980374 583171489 /nfs/dbraw/zinc/17/14/89/583171489.db2.gz GLCXGZWZHDNHDQ-UHFFFAOYSA-N 1 0 199.298 1.033 20 0 ADADRO CCCCCNC(=[NH2+])N(C)C1CC1 848980593 583171514 /nfs/dbraw/zinc/17/15/14/583171514.db2.gz LFHSZKXWYOEVMT-UHFFFAOYSA-N 1 0 183.299 1.795 20 0 ADADRO CCN(CC)C(=[NH2+])NCc1ccco1 848980331 583171517 /nfs/dbraw/zinc/17/15/17/583171517.db2.gz WSKSWGMFUFSEBY-UHFFFAOYSA-N 1 0 195.266 1.646 20 0 ADADRO CN(C)C(=[NH2+])NCCc1cccs1 848981362 583171521 /nfs/dbraw/zinc/17/15/21/583171521.db2.gz HLASSUBZNOQQGP-UHFFFAOYSA-N 1 0 197.307 1.377 20 0 ADADRO CN(C)C(=[NH2+])NCc1ccc(F)cc1 848980788 583171523 /nfs/dbraw/zinc/17/15/23/583171523.db2.gz LNMPMHHKRNHZJB-UHFFFAOYSA-N 1 0 195.241 1.412 20 0 ADADRO CN(C(=[NH2+])NCc1ccco1)C1CC1 848980322 583171539 /nfs/dbraw/zinc/17/15/39/583171539.db2.gz SQAGXEHJYLMETD-UHFFFAOYSA-N 1 0 193.250 1.398 20 0 ADADRO CC[C@@H](C)NC(=[NH2+])NCCC(C)C 848980467 583171543 /nfs/dbraw/zinc/17/15/43/583171543.db2.gz PZUZGBFHSODOCY-SECBINFHSA-N 1 0 185.315 1.945 20 0 ADADRO CC(C)CNC(=[NH2+])Nc1ccccn1 848980667 583171565 /nfs/dbraw/zinc/17/15/65/583171565.db2.gz KEFLCFGSXRVBFP-UHFFFAOYSA-N 1 0 192.266 1.674 20 0 ADADRO COCCNC(=[NH2+])N1CCCCCC1 848980584 583171580 /nfs/dbraw/zinc/17/15/80/583171580.db2.gz ISVGVHBUGMZLAF-UHFFFAOYSA-N 1 0 199.298 1.033 20 0 ADADRO [NH2+]=C(Nc1ccccn1)NC1CC1 848980663 583171616 /nfs/dbraw/zinc/17/16/16/583171616.db2.gz IPTVQPDGVVBKBF-UHFFFAOYSA-N 1 0 176.223 1.180 20 0 ADADRO CC(C)CCNC(=[NH2+])NCC1CCC1 848980541 583171647 /nfs/dbraw/zinc/17/16/47/583171647.db2.gz YFDFXMWWVLGZTG-UHFFFAOYSA-N 1 0 197.326 1.947 20 0 ADADRO CCN(CC)C(=[NH2+])NC[C@H]1CCCO1 848980633 583171687 /nfs/dbraw/zinc/17/16/87/583171687.db2.gz VPRAEIHPAICUIX-SECBINFHSA-N 1 0 199.298 1.032 20 0 ADADRO CC(C)CCNC(=[NH2+])N(C)C1CC1 848980494 583171697 /nfs/dbraw/zinc/17/16/97/583171697.db2.gz ULDVZDGMCFZIFM-UHFFFAOYSA-N 1 0 183.299 1.651 20 0 ADADRO CCCCCCNC(=[NH2+])N1CCC1 848980342 583171715 /nfs/dbraw/zinc/17/17/15/583171715.db2.gz BXACESWIRBQELA-UHFFFAOYSA-N 1 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MDIRBALASQPLCU-UHFFFAOYSA-N 1 0 169.272 1.407 20 0 ADADRO Cc1ccc(CNC(=[NH2+])N(C)C)cc1 848980964 583171855 /nfs/dbraw/zinc/17/18/55/583171855.db2.gz OVPWHPRUZXPRAK-UHFFFAOYSA-N 1 0 191.278 1.581 20 0 ADADRO [NH2+]=C(NCc1cccs1)N1CCC1 848980857 583171875 /nfs/dbraw/zinc/17/18/75/583171875.db2.gz BZZIAXWGHKQGHY-UHFFFAOYSA-N 1 0 195.291 1.478 20 0 ADADRO CN(C)C(=[NH2+])NCCC1=CCCCC1 848980746 583171893 /nfs/dbraw/zinc/17/18/93/583171893.db2.gz SLBMHHKXVOUHTI-UHFFFAOYSA-N 1 0 195.310 1.963 20 0 ADADRO [NH2+]=C(NCCc1ccco1)N1CCC1 848981761 583171901 /nfs/dbraw/zinc/17/19/01/583171901.db2.gz DPOJVVZLHZYSFY-UHFFFAOYSA-N 1 0 193.250 1.052 20 0 ADADRO [NH2+]=C(NCc1ccco1)NC1CCC1 848980290 583171911 /nfs/dbraw/zinc/17/19/11/583171911.db2.gz JWTJLFXZGAOKLM-UHFFFAOYSA-N 1 0 193.250 1.446 20 0 ADADRO CCCCCNC(=[NH2+])NC1CCC1 848980555 583171920 /nfs/dbraw/zinc/17/19/20/583171920.db2.gz BHPYWIIBQZKBNW-UHFFFAOYSA-N 1 0 183.299 1.843 20 0 ADADRO CN(C)C(=[NH2+])NCCc1ccccc1 848980647 583171924 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CCCNC(=[NH2+])N[C@@H]1C[C@H]1C1CCC1 849045468 583179303 /nfs/dbraw/zinc/17/93/03/583179303.db2.gz ZZRAMNMIJZBGGK-VHSXEESVSA-N 1 0 195.310 1.699 20 0 ADADRO C[C@@H]1C[NH+]=C(N[C@@H]2C[C@H]2C2CCC2)N1 849045334 583179310 /nfs/dbraw/zinc/17/93/10/583179310.db2.gz VNJTVUNDWQPQKV-FKTZTGRPSA-N 1 0 193.294 1.112 20 0 ADADRO Cc1cc(CNC(N)=[NH2+])ccc1Cl 849081736 583179344 /nfs/dbraw/zinc/17/93/44/583179344.db2.gz KJSHBNZGQAZUFP-UHFFFAOYSA-N 1 0 197.669 1.631 20 0 ADADRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccn(C)n1 850508320 583186190 /nfs/dbraw/zinc/18/61/90/583186190.db2.gz MNNAAUVLDAJUFP-ZJUUUORDSA-N 1 0 191.278 1.789 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CCC[C@@H]1C 850480385 583185084 /nfs/dbraw/zinc/18/50/84/583185084.db2.gz QVIHABWGQUNIHO-VHSXEESVSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+]C(C1CC1)C1CC1 850479130 583185116 /nfs/dbraw/zinc/18/51/16/583185116.db2.gz MDGYKRAZNUYIAB-UHFFFAOYSA-N 1 0 198.310 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H]1CCC12CCC2 850478103 583185120 /nfs/dbraw/zinc/18/51/20/583185120.db2.gz NUXSJVHYGVVKQS-JTQLQIEISA-N 1 0 198.310 1.402 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]CCN(C)OC 850477881 583185131 /nfs/dbraw/zinc/18/51/31/583185131.db2.gz LJUXIFBDORCTDK-NXEZZACHSA-N 1 0 186.299 1.258 20 0 ADADRO CCn1nncc1C[NH2+][C@@H]1C=CCC1 850360083 583185144 /nfs/dbraw/zinc/18/51/44/583185144.db2.gz YWWMQDGRIDDJTH-SECBINFHSA-N 1 0 192.266 1.106 20 0 ADADRO CON(C)CC[NH2+][C@@H](C)CC1CC1 850480186 583185154 /nfs/dbraw/zinc/18/51/54/583185154.db2.gz MIUMJRWHGVQGDE-VIFPVBQESA-N 1 0 186.299 1.258 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]CCN(C)OC 850477883 583185164 /nfs/dbraw/zinc/18/51/64/583185164.db2.gz LJUXIFBDORCTDK-UWVGGRQHSA-N 1 0 186.299 1.258 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCN(C)OC 850480476 583185176 /nfs/dbraw/zinc/18/51/76/583185176.db2.gz RPTBBDXQVZUBFW-UWVGGRQHSA-N 1 0 188.315 1.504 20 0 ADADRO CON(C)CC[NH2+][C@H]1CCC1(C)C 850477857 583185245 /nfs/dbraw/zinc/18/52/45/583185245.db2.gz LFWAVEOUJLVWTA-VIFPVBQESA-N 1 0 186.299 1.258 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]CCN(C)OC 850480479 583185253 /nfs/dbraw/zinc/18/52/53/583185253.db2.gz RPTBBDXQVZUBFW-ZJUUUORDSA-N 1 0 188.315 1.504 20 0 ADADRO CON(C)CC[NH2+][C@H](C)c1ccoc1 850479618 583185256 /nfs/dbraw/zinc/18/52/56/583185256.db2.gz AHXBIIFLCJOUNG-SECBINFHSA-N 1 0 198.266 1.423 20 0 ADADRO CCC[C@H](C)[NH2+]CCN(C)OC 850480314 583185280 /nfs/dbraw/zinc/18/52/80/583185280.db2.gz PEXJNZNFNCCKNA-VIFPVBQESA-N 1 0 174.288 1.258 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CCC1(C)C 850477856 583185327 /nfs/dbraw/zinc/18/53/27/583185327.db2.gz LFWAVEOUJLVWTA-SECBINFHSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CCC[C@H]1C 850480383 583185347 /nfs/dbraw/zinc/18/53/47/583185347.db2.gz QVIHABWGQUNIHO-NXEZZACHSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 850478417 583185353 /nfs/dbraw/zinc/18/53/53/583185353.db2.gz TYMNDHFHZGAANR-AXFHLTTASA-N 1 0 198.310 1.258 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 850477097 583185367 /nfs/dbraw/zinc/18/53/67/583185367.db2.gz DMNRFPXYDPMOAP-WDEREUQCSA-N 1 0 198.310 1.258 20 0 ADADRO CON(C)CC[NH2+][C@@H](C)c1ccco1 850480288 583185377 /nfs/dbraw/zinc/18/53/77/583185377.db2.gz ORYBXAVATLVXLX-VIFPVBQESA-N 1 0 198.266 1.423 20 0 ADADRO CON(C)CC[NH2+][C@H](C)CC(C)C 850480295 583185390 /nfs/dbraw/zinc/18/53/90/583185390.db2.gz OVRBFIJLUZVGFO-SNVBAGLBSA-N 1 0 188.315 1.504 20 0 ADADRO CCC[C@@H](C)[NH2+]CCN(C)OC 850480313 583185391 /nfs/dbraw/zinc/18/53/91/583185391.db2.gz PEXJNZNFNCCKNA-SECBINFHSA-N 1 0 174.288 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H](C)C(C)C 850480257 583185407 /nfs/dbraw/zinc/18/54/07/583185407.db2.gz OAHVCCPIBCANKZ-SECBINFHSA-N 1 0 174.288 1.114 20 0 ADADRO CON(C)CC[NH2+][C@@H](C)C(C)(C)C 850479485 583185415 /nfs/dbraw/zinc/18/54/15/583185415.db2.gz VCYODCAZVZQDMZ-VIFPVBQESA-N 1 0 188.315 1.504 20 0 ADADRO Cc1cn[nH]c1C[NH2+][C@H]1C=CCC1 850359008 583185430 /nfs/dbraw/zinc/18/54/30/583185430.db2.gz RVFWCQKMMQZOAJ-VIFPVBQESA-N 1 0 177.251 1.526 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CCN(C)OC 850480475 583185437 /nfs/dbraw/zinc/18/54/37/583185437.db2.gz RPTBBDXQVZUBFW-NXEZZACHSA-N 1 0 188.315 1.504 20 0 ADADRO Cc1csc(C[NH2+][C@H]2C[C@H](O)C2)n1 850418052 583185441 /nfs/dbraw/zinc/18/54/41/583185441.db2.gz WPOZKLYTULKNTD-ZKCHVHJHSA-N 1 0 198.291 1.064 20 0 ADADRO CON(C)CC[NH2+][C@H]1CC[C@H](C)C1 850480497 583185446 /nfs/dbraw/zinc/18/54/46/583185446.db2.gz RXNBAFYEHXSKHY-UWVGGRQHSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H]1CC[C@@H](C)C1 850480499 583185448 /nfs/dbraw/zinc/18/54/48/583185448.db2.gz RXNBAFYEHXSKHY-ZJUUUORDSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CCC12CCC2 850478104 583185453 /nfs/dbraw/zinc/18/54/53/583185453.db2.gz NUXSJVHYGVVKQS-SNVBAGLBSA-N 1 0 198.310 1.402 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 850477093 583185459 /nfs/dbraw/zinc/18/54/59/583185459.db2.gz DMNRFPXYDPMOAP-GHMZBOCLSA-N 1 0 198.310 1.258 20 0 ADADRO CON(C)CC[NH2+][C@@H](C)CC(C)C 850480294 583185462 /nfs/dbraw/zinc/18/54/62/583185462.db2.gz OVRBFIJLUZVGFO-JTQLQIEISA-N 1 0 188.315 1.504 20 0 ADADRO Cc1cc(C[NH2+]C/C=C/CO)c(C)o1 850357754 583185494 /nfs/dbraw/zinc/18/54/94/583185494.db2.gz UJFVYXJUWCGOJW-ONEGZZNKSA-N 1 0 195.262 1.535 20 0 ADADRO CC[C@H](C)[C@@H](C)[NH2+]CCN(C)OC 850480477 583185507 /nfs/dbraw/zinc/18/55/07/583185507.db2.gz RPTBBDXQVZUBFW-VHSXEESVSA-N 1 0 188.315 1.504 20 0 ADADRO CCC[C@H](CC)[NH2+]CCN(C)OC 850479189 583185514 /nfs/dbraw/zinc/18/55/14/583185514.db2.gz NDAYXSKDSCZRPX-JTQLQIEISA-N 1 0 188.315 1.648 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1cc(C)oc1C 850373072 583185529 /nfs/dbraw/zinc/18/55/29/583185529.db2.gz BHNHURXLMKAQRV-LLVKDONJSA-N 1 0 197.278 1.757 20 0 ADADRO CON(C)CC[NH2+]C1CC(C)(C)C1 850478598 583185540 /nfs/dbraw/zinc/18/55/40/583185540.db2.gz VXKJWRNJFUGSAC-UHFFFAOYSA-N 1 0 186.299 1.258 20 0 ADADRO Cc1ncc(C[NH2+][C@H]2C[C@H](O)C2)s1 850417983 583185596 /nfs/dbraw/zinc/18/55/96/583185596.db2.gz UTXNNCYRCRKWEF-ZKCHVHJHSA-N 1 0 198.291 1.064 20 0 ADADRO CON(C)CC[NH2+][C@@H](C)c1ccoc1 850479621 583185622 /nfs/dbraw/zinc/18/56/22/583185622.db2.gz AHXBIIFLCJOUNG-VIFPVBQESA-N 1 0 198.266 1.423 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1ccc(F)nc1 850373453 583185646 /nfs/dbraw/zinc/18/56/46/583185646.db2.gz KJJWKXIJVPVHRU-SECBINFHSA-N 1 0 198.241 1.081 20 0 ADADRO CON(C)CC[NH2+][C@H]1CC[C@H]1C1CC1 850477095 583185691 /nfs/dbraw/zinc/18/56/91/583185691.db2.gz DMNRFPXYDPMOAP-QWRGUYRKSA-N 1 0 198.310 1.258 20 0 ADADRO Cc1cc(C[NH2+]C/C=C\CO)c(C)o1 850357753 583185706 /nfs/dbraw/zinc/18/57/06/583185706.db2.gz UJFVYXJUWCGOJW-ARJAWSKDSA-N 1 0 195.262 1.535 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CC[C@H](C)C1 850480498 583185739 /nfs/dbraw/zinc/18/57/39/583185739.db2.gz RXNBAFYEHXSKHY-VHSXEESVSA-N 1 0 186.299 1.258 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]CCN(C)OC 850477884 583185740 /nfs/dbraw/zinc/18/57/40/583185740.db2.gz LJUXIFBDORCTDK-VHSXEESVSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H]1CCC[C@H]1C 850480386 583185742 /nfs/dbraw/zinc/18/57/42/583185742.db2.gz QVIHABWGQUNIHO-ZJUUUORDSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H](C)CC1CC1 850480185 583185749 /nfs/dbraw/zinc/18/57/49/583185749.db2.gz MIUMJRWHGVQGDE-SECBINFHSA-N 1 0 186.299 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H](C)c1ccco1 850480287 583185751 /nfs/dbraw/zinc/18/57/51/583185751.db2.gz ORYBXAVATLVXLX-SECBINFHSA-N 1 0 198.266 1.423 20 0 ADADRO Cc1ccc(C[NH2+][C@@H]2C=CCC2)nn1 850359651 583185755 /nfs/dbraw/zinc/18/57/55/583185755.db2.gz NLIKINBINVGJQR-SNVBAGLBSA-N 1 0 189.262 1.593 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCN(C)OC 850477886 583185759 /nfs/dbraw/zinc/18/57/59/583185759.db2.gz LJUXIFBDORCTDK-ZJUUUORDSA-N 1 0 186.299 1.258 20 0 ADADRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cn1 850417637 583185760 /nfs/dbraw/zinc/18/57/60/583185760.db2.gz GOQAVSOUZCCOOZ-XYPYZODXSA-N 1 0 192.262 1.003 20 0 ADADRO CON(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 850478419 583185764 /nfs/dbraw/zinc/18/57/64/583185764.db2.gz TYMNDHFHZGAANR-HBNTYKKESA-N 1 0 198.310 1.258 20 0 ADADRO CON(C)CC[NH2+][C@H]1CCC[C@@H]1C 850480384 583185771 /nfs/dbraw/zinc/18/57/71/583185771.db2.gz QVIHABWGQUNIHO-UWVGGRQHSA-N 1 0 186.299 1.258 20 0 ADADRO CCn1nncc1C[NH2+][C@H]1C=CCC1 850360084 583185778 /nfs/dbraw/zinc/18/57/78/583185778.db2.gz YWWMQDGRIDDJTH-VIFPVBQESA-N 1 0 192.266 1.106 20 0 ADADRO CON(C)CC[NH2+][C@@H](C)C(C)C 850480258 583185787 /nfs/dbraw/zinc/18/57/87/583185787.db2.gz OAHVCCPIBCANKZ-VIFPVBQESA-N 1 0 174.288 1.114 20 0 ADADRO Cc1cn[nH]c1C[NH2+][C@@H]1C=CCC1 850359007 583185793 /nfs/dbraw/zinc/18/57/93/583185793.db2.gz RVFWCQKMMQZOAJ-SECBINFHSA-N 1 0 177.251 1.526 20 0 ADADRO CCC[C@@H](CC)[NH2+]CCN(C)OC 850479190 583185800 /nfs/dbraw/zinc/18/58/00/583185800.db2.gz NDAYXSKDSCZRPX-SNVBAGLBSA-N 1 0 188.315 1.648 20 0 ADADRO CON(C)CC[NH2+][C@H](C)C(C)(C)C 850479484 583185801 /nfs/dbraw/zinc/18/58/01/583185801.db2.gz VCYODCAZVZQDMZ-SECBINFHSA-N 1 0 188.315 1.504 20 0 ADADRO Cc1ccc(C[NH2+][C@H]2C=CCC2)nn1 850359650 583185806 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FSMUBIAVAPDIIH-VIFPVBQESA-N 1 0 191.278 1.755 20 0 ADADRO O[C@H]1C[C@H](C[NH2+][C@H]2CCC23CCC3)C1 872127161 583360370 /nfs/dbraw/zinc/36/03/70/583360370.db2.gz PUSRWLGJFRBTLB-DCAQKATOSA-N 1 0 195.306 1.680 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 872126905 583360423 /nfs/dbraw/zinc/36/04/23/583360423.db2.gz OYSXTGYBMNLJAP-NAKRPEOUSA-N 1 0 183.295 1.536 20 0 ADADRO O[C@H]1C[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 872127232 583360527 /nfs/dbraw/zinc/36/05/27/583360527.db2.gz RFKGGFJEGFGOAE-VGDYDELISA-N 1 0 195.306 1.536 20 0 ADADRO O[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 872125880 583360597 /nfs/dbraw/zinc/36/05/97/583360597.db2.gz GMVXFFKDUFWQHH-NGDQXYMTSA-N 1 0 195.306 1.536 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 872126897 583360618 /nfs/dbraw/zinc/36/06/18/583360618.db2.gz OYSXTGYBMNLJAP-DBIOUOCHSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H](CCC1CC1)[NH2+]C[C@H]1C[C@H](O)C1 872125913 583360621 /nfs/dbraw/zinc/36/06/21/583360621.db2.gz IUJLEMRYCUIPSC-YUSALJHKSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 872126906 583360656 /nfs/dbraw/zinc/36/06/56/583360656.db2.gz OYSXTGYBMNLJAP-XWLWVQCSSA-N 1 0 183.295 1.536 20 0 ADADRO CCC[C@@H](CC)c1nc(CC[NH3+])no1 872171062 583360663 /nfs/dbraw/zinc/36/06/63/583360663.db2.gz LUMPBRGSIXYUBY-MRVPVSSYSA-N 1 0 197.282 1.865 20 0 ADADRO C(CC1CC1)C[N@H+]1C[C@H]2COC[C@H]2C1 872320446 583361894 /nfs/dbraw/zinc/36/18/94/583361894.db2.gz WSXLCBBPTXDSBS-TXEJJXNPSA-N 1 0 195.306 1.755 20 0 ADADRO CC[C@H]1[NH2+]CCC[C@@H]1C 19431302 583362056 /nfs/dbraw/zinc/36/20/56/583362056.db2.gz WEVYSVSXPOFSSX-JGVFFNPUSA-N 1 0 127.231 1.785 20 0 ADADRO Cc1nonc1C[NH2+][C@H](C)C1CCC1 124040782 583362144 /nfs/dbraw/zinc/36/21/44/583362144.db2.gz HZAUORMPNDUJOJ-SSDOTTSWSA-N 1 0 195.266 1.656 20 0 ADADRO Cc1nonc1C[NH2+][C@@H](C)C1CCC1 124040628 583362166 /nfs/dbraw/zinc/36/21/66/583362166.db2.gz HZAUORMPNDUJOJ-ZETCQYMHSA-N 1 0 195.266 1.656 20 0 ADADRO CC[C@@H]1[NH2+]CCC[C@H]1C 19431304 583362181 /nfs/dbraw/zinc/36/21/81/583362181.db2.gz WEVYSVSXPOFSSX-SFYZADRCSA-N 1 0 127.231 1.785 20 0 ADADRO Cl/C=C/C[N@H+]1C[C@H]2COC[C@H]2C1 872320657 583362281 /nfs/dbraw/zinc/36/22/81/583362281.db2.gz GSVUHBGWWCEZOE-YLSDFIPESA-N 1 0 187.670 1.317 20 0 ADADRO C[Si](C)(C)C[N@H+]1C[C@H]2COC[C@H]2C1 872321424 583362606 /nfs/dbraw/zinc/36/26/06/583362606.db2.gz YSOCZBKZBJSWGT-AOOOYVTPSA-N 1 0 199.370 1.442 20 0 ADADRO Cl/C=C\C[N@H+]1C[C@H]2COC[C@H]2C1 872320656 583362629 /nfs/dbraw/zinc/36/26/29/583362629.db2.gz GSVUHBGWWCEZOE-HBLOBNAQSA-N 1 0 187.670 1.317 20 0 ADADRO C[C@H]([NH3+])C(=O)NC1CCCCCCC1 19440458 583362676 /nfs/dbraw/zinc/36/26/76/583362676.db2.gz XYNPWWATWUEWNE-VIFPVBQESA-N 1 0 198.310 1.563 20 0 ADADRO C1CC1[NH2+][C@@H]1CC[C@H]1C1CC1 19452695 583364752 /nfs/dbraw/zinc/36/47/52/583364752.db2.gz SOLHXWQHRLSQHH-VHSXEESVSA-N 1 0 151.253 1.927 20 0 ADADRO [NH2+]=C(NO)C(C1CC1)C1CC1 19458226 583364818 /nfs/dbraw/zinc/36/48/18/583364818.db2.gz RYRFOYSPSOHZJW-UHFFFAOYSA-N 1 0 154.213 1.379 20 0 ADADRO CCCCNC(=O)CCCCC[NH3+] 19474192 583366329 /nfs/dbraw/zinc/36/63/29/583366329.db2.gz SMTWQVVRGPMXGQ-UHFFFAOYSA-N 1 0 186.299 1.422 20 0 ADADRO C[S@](=O)CC[NH2+]CC(C)(C)C 124160732 583369276 /nfs/dbraw/zinc/36/92/76/583369276.db2.gz IXKSCAQITFVVIN-LLVKDONJSA-N 1 0 177.313 1.001 20 0 ADADRO C[S@@](=O)CC[NH2+]CC(C)(C)C 124160967 583369337 /nfs/dbraw/zinc/36/93/37/583369337.db2.gz IXKSCAQITFVVIN-NSHDSACASA-N 1 0 177.313 1.001 20 0 ADADRO CCCNC(=O)CCCCCC[NH3+] 19519281 583369394 /nfs/dbraw/zinc/36/93/94/583369394.db2.gz SXQRFFBWRYDYGM-UHFFFAOYSA-N 1 0 186.299 1.422 20 0 ADADRO CC[C@@H](C)NC(=O)CCCCC[NH3+] 19502976 583369654 /nfs/dbraw/zinc/36/96/54/583369654.db2.gz LPQQWAGPSPVZGW-SECBINFHSA-N 1 0 186.299 1.420 20 0 ADADRO C[S@](=O)CC[NH2+]Cc1ccccc1 124177112 583370097 /nfs/dbraw/zinc/37/00/97/583370097.db2.gz ZFEBBXPGTVVZJK-CYBMUJFWSA-N 1 0 197.303 1.155 20 0 ADADRO C[S@@](=O)CC[NH2+]Cc1ccccc1 124176909 583370152 /nfs/dbraw/zinc/37/01/52/583370152.db2.gz ZFEBBXPGTVVZJK-ZDUSSCGKSA-N 1 0 197.303 1.155 20 0 ADADRO C[S@@](=O)CCC[NH2+]CC(C)(C)C 124216281 583370445 /nfs/dbraw/zinc/37/04/45/583370445.db2.gz SHTKSYCLKMIOJC-LBPRGKRZSA-N 1 0 191.340 1.391 20 0 ADADRO C[S@](=O)CCC[NH2+]CC(C)(C)C 124216082 583370513 /nfs/dbraw/zinc/37/05/13/583370513.db2.gz SHTKSYCLKMIOJC-GFCCVEGCSA-N 1 0 191.340 1.391 20 0 ADADRO C[S@@](=O)CCC[NH2+]C1CCCC1 124226472 583370800 /nfs/dbraw/zinc/37/08/00/583370800.db2.gz WKZGDBHKZBCWSD-LBPRGKRZSA-N 1 0 189.324 1.287 20 0 ADADRO CC(C)CCn1cc([C@@H](C)[NH3+])nn1 124194665 583370940 /nfs/dbraw/zinc/37/09/40/583370940.db2.gz WQZDDJPTHJTKGU-MRVPVSSYSA-N 1 0 182.271 1.344 20 0 ADADRO C[S@](=O)CCC[NH2+]C1CCCC1 124226656 583371095 /nfs/dbraw/zinc/37/10/95/583371095.db2.gz WKZGDBHKZBCWSD-GFCCVEGCSA-N 1 0 189.324 1.287 20 0 ADADRO CC1(F)CC[NH+](Cn2cnnc2)CC1 872692010 583371166 /nfs/dbraw/zinc/37/11/66/583371166.db2.gz UVWTWVKNFWEPOO-UHFFFAOYSA-N 1 0 198.245 1.060 20 0 ADADRO CCCC[NH2+]CC(=O)N(CC)CC 20044283 583376277 /nfs/dbraw/zinc/37/62/77/583376277.db2.gz FZJVUFBABPIQBM-UHFFFAOYSA-N 1 0 186.299 1.245 20 0 ADADRO COC[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 124653698 583376080 /nfs/dbraw/zinc/37/60/80/583376080.db2.gz KPSXLWYZUUDABN-YUMQZZPRSA-N 1 0 183.255 1.095 20 0 ADADRO CC[C@H](C)[NH2+]CC(=O)N(CC)CC 20036375 583376193 /nfs/dbraw/zinc/37/61/93/583376193.db2.gz KUIWEXLQBVRFTA-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ncc[nH]1 124693356 583376903 /nfs/dbraw/zinc/37/69/03/583376903.db2.gz YFFVHXWYWWOPKU-IUCAKERBSA-N 1 0 195.266 1.097 20 0 ADADRO CC(C)C[NH2+][C@H](C)c1ncc[nH]1 124675052 583377008 /nfs/dbraw/zinc/37/70/08/583377008.db2.gz ZRYHXZMBVVJXFL-MRVPVSSYSA-N 1 0 167.256 1.716 20 0 ADADRO CC[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 124681410 583377024 /nfs/dbraw/zinc/37/70/24/583377024.db2.gz UFMOVMRPVWHUTG-HTQZYQBOSA-N 1 0 167.256 1.859 20 0 ADADRO CC[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 124680994 583377035 /nfs/dbraw/zinc/37/70/35/583377035.db2.gz UFMOVMRPVWHUTG-SFYZADRCSA-N 1 0 167.256 1.859 20 0 ADADRO C[C@H]([NH2+][C@H](C)C1CC1)c1ncc[nH]1 124673920 583377045 /nfs/dbraw/zinc/37/70/45/583377045.db2.gz HPXPNZRWKQGQLA-SFYZADRCSA-N 1 0 179.267 1.859 20 0 ADADRO CC[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 124681598 583377098 /nfs/dbraw/zinc/37/70/98/583377098.db2.gz UFMOVMRPVWHUTG-JGVFFNPUSA-N 1 0 167.256 1.859 20 0 ADADRO COC[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 124653958 583377124 /nfs/dbraw/zinc/37/71/24/583377124.db2.gz KPSXLWYZUUDABN-SFYZADRCSA-N 1 0 183.255 1.095 20 0 ADADRO CCCC[NH2+]CC(C)(C)N(C)C 20125908 583377134 /nfs/dbraw/zinc/37/71/34/583377134.db2.gz NRAFVCIZZIZZHJ-UHFFFAOYSA-N 1 0 172.316 1.716 20 0 ADADRO CC[C@@H](COC)[NH2+][C@H](C)c1ncc[nH]1 124665686 583377138 /nfs/dbraw/zinc/37/71/38/583377138.db2.gz QXTVEVAXIBOECR-BDAKNGLRSA-N 1 0 197.282 1.485 20 0 ADADRO CSCCC[NH2+][C@H](C)c1ncc[nH]1 124685115 583377143 /nfs/dbraw/zinc/37/71/43/583377143.db2.gz GXTCRPXJHXTXDE-MRVPVSSYSA-N 1 0 199.323 1.813 20 0 ADADRO CC[C@H](COC)[NH2+][C@@H](C)c1ncc[nH]1 124665489 583377153 /nfs/dbraw/zinc/37/71/53/583377153.db2.gz QXTVEVAXIBOECR-DTWKUNHWSA-N 1 0 197.282 1.485 20 0 ADADRO CSCCC[NH2+][C@@H](C)c1ncc[nH]1 124684967 583377213 /nfs/dbraw/zinc/37/72/13/583377213.db2.gz GXTCRPXJHXTXDE-QMMMGPOBSA-N 1 0 199.323 1.813 20 0 ADADRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ncc[nH]1 124694068 583377265 /nfs/dbraw/zinc/37/72/65/583377265.db2.gz YFFVHXWYWWOPKU-RKDXNWHRSA-N 1 0 195.266 1.097 20 0 ADADRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ncc[nH]1 124693564 583377274 /nfs/dbraw/zinc/37/72/74/583377274.db2.gz YFFVHXWYWWOPKU-BDAKNGLRSA-N 1 0 195.266 1.097 20 0 ADADRO CC[C@H](COC)[NH2+][C@H](C)c1ncc[nH]1 124665887 583377319 /nfs/dbraw/zinc/37/73/19/583377319.db2.gz QXTVEVAXIBOECR-RKDXNWHRSA-N 1 0 197.282 1.485 20 0 ADADRO CC(C)C[NH2+][C@@H](C)c1ncc[nH]1 124674793 583377476 /nfs/dbraw/zinc/37/74/76/583377476.db2.gz ZRYHXZMBVVJXFL-QMMMGPOBSA-N 1 0 167.256 1.716 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 124706301 583377501 /nfs/dbraw/zinc/37/75/01/583377501.db2.gz 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/nfs/dbraw/zinc/37/85/23/583378523.db2.gz OAOXNEKPIPHGOV-DTWKUNHWSA-N 1 0 197.282 1.485 20 0 ADADRO COCC[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 124721238 583378557 /nfs/dbraw/zinc/37/85/57/583378557.db2.gz OAOXNEKPIPHGOV-BDAKNGLRSA-N 1 0 197.282 1.485 20 0 ADADRO COCC[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 124721073 583378582 /nfs/dbraw/zinc/37/85/82/583378582.db2.gz OAOXNEKPIPHGOV-IUCAKERBSA-N 1 0 197.282 1.485 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ncc[nH]1 124722733 583378635 /nfs/dbraw/zinc/37/86/35/583378635.db2.gz NOGWKBQXESZKJE-IUCAKERBSA-N 1 0 195.266 1.239 20 0 ADADRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ncc[nH]1 124722960 583378685 /nfs/dbraw/zinc/37/86/85/583378685.db2.gz NOGWKBQXESZKJE-BDAKNGLRSA-N 1 0 195.266 1.239 20 0 ADADRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ncc[nH]1 124723425 583378754 /nfs/dbraw/zinc/37/87/54/583378754.db2.gz NOGWKBQXESZKJE-RKDXNWHRSA-N 1 0 195.266 1.239 20 0 ADADRO C[C@H]([NH2+]C1CCOCC1)c1ncc[nH]1 124782359 583379029 /nfs/dbraw/zinc/37/90/29/583379029.db2.gz DCBXNSPKNOQQCS-QMMMGPOBSA-N 1 0 195.266 1.239 20 0 ADADRO OC[C@H]1CCCCC[N@@H+]1CCF 124813132 583379343 /nfs/dbraw/zinc/37/93/43/583379343.db2.gz OZVWIPIBXRCPLZ-SECBINFHSA-N 1 0 175.247 1.193 20 0 ADADRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 20365336 583380564 /nfs/dbraw/zinc/38/05/64/583380564.db2.gz OUPHYQRPLSEEAY-SFYZADRCSA-N 1 0 184.283 1.042 20 0 ADADRO OC[C@@H]1CCCCC[N@@H+]1CCF 124813399 583379666 /nfs/dbraw/zinc/37/96/66/583379666.db2.gz OZVWIPIBXRCPLZ-VIFPVBQESA-N 1 0 175.247 1.193 20 0 ADADRO C[C@@H]([NH2+]CC1CC1)c1ncc[nH]1 124784082 583379806 /nfs/dbraw/zinc/37/98/06/583379806.db2.gz UXVDUXWIBDDMAJ-SSDOTTSWSA-N 1 0 165.240 1.470 20 0 ADADRO C[C@H]([NH2+]CC1CC1)c1ncc[nH]1 124783804 583379857 /nfs/dbraw/zinc/37/98/57/583379857.db2.gz UXVDUXWIBDDMAJ-ZETCQYMHSA-N 1 0 165.240 1.470 20 0 ADADRO C[C@@H]([NH2+]C1CCOCC1)c1ncc[nH]1 124782634 583379867 /nfs/dbraw/zinc/37/98/67/583379867.db2.gz DCBXNSPKNOQQCS-MRVPVSSYSA-N 1 0 195.266 1.239 20 0 ADADRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC1 20365359 583380104 /nfs/dbraw/zinc/38/01/04/583380104.db2.gz IUBXUUCMSGXHMK-DTWKUNHWSA-N 1 0 198.310 1.432 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC1 20365358 583380247 /nfs/dbraw/zinc/38/02/47/583380247.db2.gz IUBXUUCMSGXHMK-RKDXNWHRSA-N 1 0 198.310 1.432 20 0 ADADRO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C1CC1 20365365 583380277 /nfs/dbraw/zinc/38/02/77/583380277.db2.gz HKKMDAGEDAZFEW-QMMMGPOBSA-N 1 0 198.310 1.432 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 20365361 583380284 /nfs/dbraw/zinc/38/02/84/583380284.db2.gz IUBXUUCMSGXHMK-BDAKNGLRSA-N 1 0 198.310 1.432 20 0 ADADRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 20365363 583380294 /nfs/dbraw/zinc/38/02/94/583380294.db2.gz IUBXUUCMSGXHMK-IUCAKERBSA-N 1 0 198.310 1.432 20 0 ADADRO CCC(CC)NC(=O)[C@@H](C)[NH2+]C1CC1 20365354 583380300 /nfs/dbraw/zinc/38/03/00/583380300.db2.gz VPGPIGDDZZCWIU-MRVPVSSYSA-N 1 0 198.310 1.432 20 0 ADADRO CCCCNC(=O)[C@@H](C)[NH2+]C1CC1 20365343 583380418 /nfs/dbraw/zinc/38/04/18/583380418.db2.gz BIRQKGGQXXEREE-MRVPVSSYSA-N 1 0 184.283 1.043 20 0 ADADRO CCN(C(=O)C[NH+]1CCCC1)C(C)C 874110711 583380628 /nfs/dbraw/zinc/38/06/28/583380628.db2.gz WSZKBVPJRFNNPA-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO CCCCCNC(=O)[C@H](C)[NH2+]C1CC1 20365341 583380666 /nfs/dbraw/zinc/38/06/66/583380666.db2.gz DVDAPIZVENYSTA-VIFPVBQESA-N 1 0 198.310 1.433 20 0 ADADRO CCN(C(=O)[C@@H](C)[NH+](C)C)C(C)C 874110562 583380669 /nfs/dbraw/zinc/38/06/69/583380669.db2.gz FOBHTBTYCFTEDF-SECBINFHSA-N 1 0 186.299 1.193 20 0 ADADRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC1 20365332 583380732 /nfs/dbraw/zinc/38/07/32/583380732.db2.gz OUPHYQRPLSEEAY-HTQZYQBOSA-N 1 0 184.283 1.042 20 0 ADADRO CCCCNC(=O)[C@H](C)[NH2+]C1CC1 20365345 583380807 /nfs/dbraw/zinc/38/08/07/583380807.db2.gz BIRQKGGQXXEREE-QMMMGPOBSA-N 1 0 184.283 1.043 20 0 ADADRO CCC(CC)NC(=O)[C@H](C)[NH2+]C1CC1 20365356 583380911 /nfs/dbraw/zinc/38/09/11/583380911.db2.gz VPGPIGDDZZCWIU-QMMMGPOBSA-N 1 0 198.310 1.432 20 0 ADADRO Cc1ccc(N(C)C(=O)CC[NH3+])cc1 20262263 583380963 /nfs/dbraw/zinc/38/09/63/583380963.db2.gz NYKSKVVEVSQYSZ-UHFFFAOYSA-N 1 0 192.262 1.307 20 0 ADADRO CCCCCNC(=O)[C@@H](C)[NH2+]C1CC1 20365340 583380993 /nfs/dbraw/zinc/38/09/93/583380993.db2.gz DVDAPIZVENYSTA-SECBINFHSA-N 1 0 198.310 1.433 20 0 ADADRO CC(C)CCNC(=O)[C@@H](C)[NH2+]C1CC1 20365350 583381046 /nfs/dbraw/zinc/38/10/46/583381046.db2.gz ZWSXTAQGWBUISI-SECBINFHSA-N 1 0 198.310 1.289 20 0 ADADRO CC(C)CCNC(=O)[C@H](C)[NH2+]C1CC1 20365352 583381074 /nfs/dbraw/zinc/38/10/74/583381074.db2.gz ZWSXTAQGWBUISI-VIFPVBQESA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC1 20365338 583381103 /nfs/dbraw/zinc/38/11/03/583381103.db2.gz OUPHYQRPLSEEAY-YUMQZZPRSA-N 1 0 184.283 1.042 20 0 ADADRO CSCC[C@H](C)[NH2+]Cc1ncc[nH]1 125018293 583381381 /nfs/dbraw/zinc/38/13/81/583381381.db2.gz JWMXXSDOULEZFO-QMMMGPOBSA-N 1 0 199.323 1.641 20 0 ADADRO CSCC[C@H](C)[NH2+]Cc1cc[nH]n1 125030915 583381452 /nfs/dbraw/zinc/38/14/52/583381452.db2.gz NVNHLBQIYBRAEQ-QMMMGPOBSA-N 1 0 199.323 1.641 20 0 ADADRO CSCC[C@@H](C)[NH2+]Cc1cc[nH]n1 125031143 583381470 /nfs/dbraw/zinc/38/14/70/583381470.db2.gz NVNHLBQIYBRAEQ-MRVPVSSYSA-N 1 0 199.323 1.641 20 0 ADADRO CCCCCC[N@@H+]1CCC[C@@H]1CN 20519815 583381756 /nfs/dbraw/zinc/38/17/56/583381756.db2.gz ZUKKYYUPKNWVFZ-LLVKDONJSA-N 1 0 184.327 1.990 20 0 ADADRO CSCC[C@@H](C)[NH2+]Cc1ncc[nH]1 125018477 583381885 /nfs/dbraw/zinc/38/18/85/583381885.db2.gz JWMXXSDOULEZFO-MRVPVSSYSA-N 1 0 199.323 1.641 20 0 ADADRO CC(C)Cc1noc([C@H]2CCC[NH2+]2)n1 20545653 583382212 /nfs/dbraw/zinc/38/22/12/583382212.db2.gz OAQWIERZORFVBR-MRVPVSSYSA-N 1 0 195.266 1.693 20 0 ADADRO CCCCCCn1cc(CC[NH3+])nn1 125379775 583383749 /nfs/dbraw/zinc/38/37/49/583383749.db2.gz IFNBYKOKPNJGOV-UHFFFAOYSA-N 1 0 196.298 1.360 20 0 ADADRO FCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 20880239 583383793 /nfs/dbraw/zinc/38/37/93/583383793.db2.gz FWWCZNRMLXHVCM-HTQZYQBOSA-N 1 0 143.205 1.298 20 0 ADADRO COCC(C)(C)[NH2+]C[C@@H]1CCC=CO1 125336171 583384091 /nfs/dbraw/zinc/38/40/91/583384091.db2.gz DDUKMGSSJDMZHY-JTQLQIEISA-N 1 0 199.294 1.694 20 0 ADADRO [NH3+]CCCCCc1nc(C2CC2)no1 21012674 583384141 /nfs/dbraw/zinc/38/41/41/583384141.db2.gz OHLLVHAMGHJDOG-UHFFFAOYSA-N 1 0 195.266 1.619 20 0 ADADRO COCC(C)(C)[NH2+]C[C@H]1CCC=CO1 125336387 583384155 /nfs/dbraw/zinc/38/41/55/583384155.db2.gz DDUKMGSSJDMZHY-SNVBAGLBSA-N 1 0 199.294 1.694 20 0 ADADRO CC(C)(CCO)[NH2+]C[C@H]1CCC=CO1 125626787 583384583 /nfs/dbraw/zinc/38/45/83/583384583.db2.gz NUQYJQOXBIGGIY-SNVBAGLBSA-N 1 0 199.294 1.430 20 0 ADADRO CC(C)(CCO)[NH2+]C[C@@H]1CCC=CO1 125626668 583384824 /nfs/dbraw/zinc/38/48/24/583384824.db2.gz NUQYJQOXBIGGIY-JTQLQIEISA-N 1 0 199.294 1.430 20 0 ADADRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C 876546185 583386994 /nfs/dbraw/zinc/38/69/94/583386994.db2.gz SVLWBWQAXHLDOF-JGVFFNPUSA-N 1 0 198.310 1.275 20 0 ADADRO CC(C)N(C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C 876549861 583387024 /nfs/dbraw/zinc/38/70/24/583387024.db2.gz XKATUFCXTTXCDG-DTWKUNHWSA-N 1 0 198.310 1.227 20 0 ADADRO CC(C)CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C 876547352 583387097 /nfs/dbraw/zinc/38/70/97/583387097.db2.gz PLLFRVFPASEWKG-BDAKNGLRSA-N 1 0 198.310 1.132 20 0 ADADRO CC(C)CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C 876547355 583387116 /nfs/dbraw/zinc/38/71/16/583387116.db2.gz PLLFRVFPASEWKG-RKDXNWHRSA-N 1 0 198.310 1.132 20 0 ADADRO CC(C)(C)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C 876546186 583387185 /nfs/dbraw/zinc/38/71/85/583387185.db2.gz SVLWBWQAXHLDOF-SFYZADRCSA-N 1 0 198.310 1.275 20 0 ADADRO CC(C)(C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C 876546187 583387212 /nfs/dbraw/zinc/38/72/12/583387212.db2.gz SVLWBWQAXHLDOF-YUMQZZPRSA-N 1 0 198.310 1.275 20 0 ADADRO CC(C)CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C 876547354 583387248 /nfs/dbraw/zinc/38/72/48/583387248.db2.gz PLLFRVFPASEWKG-IUCAKERBSA-N 1 0 198.310 1.132 20 0 ADADRO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C 876545514 583387268 /nfs/dbraw/zinc/38/72/68/583387268.db2.gz HRJBPLRIJQMFBN-DTWKUNHWSA-N 1 0 198.310 1.228 20 0 ADADRO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C 876545515 583387271 /nfs/dbraw/zinc/38/72/71/583387271.db2.gz HRJBPLRIJQMFBN-IUCAKERBSA-N 1 0 198.310 1.228 20 0 ADADRO CCC[C@H](CC)C(=O)NCC[NH2+]C 876521133 583387327 /nfs/dbraw/zinc/38/73/27/583387327.db2.gz HYIVHQBTEQGIDW-VIFPVBQESA-N 1 0 186.299 1.148 20 0 ADADRO CC(C)N(C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C 876549860 583387345 /nfs/dbraw/zinc/38/73/45/583387345.db2.gz XKATUFCXTTXCDG-BDAKNGLRSA-N 1 0 198.310 1.227 20 0 ADADRO CC(C)(C)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C 876546184 583387351 /nfs/dbraw/zinc/38/73/51/583387351.db2.gz SVLWBWQAXHLDOF-HTQZYQBOSA-N 1 0 198.310 1.275 20 0 ADADRO CCC[C@@H](CC)C(=O)NCC[NH2+]C 876521132 583387397 /nfs/dbraw/zinc/38/73/97/583387397.db2.gz HYIVHQBTEQGIDW-SECBINFHSA-N 1 0 186.299 1.148 20 0 ADADRO CC(C)N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C 876549863 583387430 /nfs/dbraw/zinc/38/74/30/583387430.db2.gz XKATUFCXTTXCDG-RKDXNWHRSA-N 1 0 198.310 1.227 20 0 ADADRO CC(C)N(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C 876549862 583387433 /nfs/dbraw/zinc/38/74/33/583387433.db2.gz XKATUFCXTTXCDG-IUCAKERBSA-N 1 0 198.310 1.227 20 0 ADADRO CCN(CC)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C 876545516 583387460 /nfs/dbraw/zinc/38/74/60/583387460.db2.gz HRJBPLRIJQMFBN-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO CCN(CC)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C 876545513 583387471 /nfs/dbraw/zinc/38/74/71/583387471.db2.gz HRJBPLRIJQMFBN-BDAKNGLRSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C 876547353 583387571 /nfs/dbraw/zinc/38/75/71/583387571.db2.gz PLLFRVFPASEWKG-DTWKUNHWSA-N 1 0 198.310 1.132 20 0 ADADRO C[C@@H]([NH3+])CN(C)C(=O)C[C@@H](C)C1CC1 877101043 583391674 /nfs/dbraw/zinc/39/16/74/583391674.db2.gz ZTJUDDRIFFJTFG-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO CCCN(C)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C 876579207 583388023 /nfs/dbraw/zinc/38/80/23/583388023.db2.gz OCXFLDDQPBUFTP-BDAKNGLRSA-N 1 0 198.310 1.228 20 0 ADADRO CCCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C 876579208 583388086 /nfs/dbraw/zinc/38/80/86/583388086.db2.gz OCXFLDDQPBUFTP-DTWKUNHWSA-N 1 0 198.310 1.228 20 0 ADADRO CCCN(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C 876579209 583388128 /nfs/dbraw/zinc/38/81/28/583388128.db2.gz OCXFLDDQPBUFTP-IUCAKERBSA-N 1 0 198.310 1.228 20 0 ADADRO CCCN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C 876579210 583388157 /nfs/dbraw/zinc/38/81/57/583388157.db2.gz OCXFLDDQPBUFTP-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO CCC[C@@H](CC)C(=O)N[C@@H](C)C[NH3+] 876830442 583388487 /nfs/dbraw/zinc/38/84/87/583388487.db2.gz KGBIJZHYZLNDSV-DTWKUNHWSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@H](CC)C(=O)N[C@@H](C)C[NH3+] 876830443 583388566 /nfs/dbraw/zinc/38/85/66/583388566.db2.gz KGBIJZHYZLNDSV-IUCAKERBSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H](CC)C(=O)NC[C@@H](C)[NH3+] 876833171 583388578 /nfs/dbraw/zinc/38/85/78/583388578.db2.gz FROOHRBYGNWRIH-RKDXNWHRSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H](CC)C(=O)NC[C@H](C)[NH3+] 876833167 583388685 /nfs/dbraw/zinc/38/86/85/583388685.db2.gz FROOHRBYGNWRIH-DTWKUNHWSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H](CC)C(=O)NCC1C[NH2+]C1 876791109 583388768 /nfs/dbraw/zinc/38/87/68/583388768.db2.gz IYFNNOZKZWLNDU-SNVBAGLBSA-N 1 0 198.310 1.148 20 0 ADADRO CCC[C@H](CC)C(=O)N[C@H](C)C[NH3+] 876807789 583388791 /nfs/dbraw/zinc/38/87/91/583388791.db2.gz KGBIJZHYZLNDSV-BDAKNGLRSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H](CC)C(=O)N[C@H](C)C[NH3+] 876807790 583388825 /nfs/dbraw/zinc/38/88/25/583388825.db2.gz KGBIJZHYZLNDSV-RKDXNWHRSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@H](CC)C(=O)NC[C@@H](C)[NH3+] 876833166 583388847 /nfs/dbraw/zinc/38/88/47/583388847.db2.gz FROOHRBYGNWRIH-BDAKNGLRSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@H](CC)C(=O)NC[C@H](C)[NH3+] 876833169 583388982 /nfs/dbraw/zinc/38/89/82/583388982.db2.gz FROOHRBYGNWRIH-IUCAKERBSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@H](CC)C(=O)NCC1C[NH2+]C1 876791108 583389052 /nfs/dbraw/zinc/38/90/52/583389052.db2.gz IYFNNOZKZWLNDU-JTQLQIEISA-N 1 0 198.310 1.148 20 0 ADADRO CO[C@@H]1CC[N@H+](Cc2ccns2)C1 876750711 583389109 /nfs/dbraw/zinc/38/91/09/583389109.db2.gz RMBBDSXIVLJKPT-MRVPVSSYSA-N 1 0 198.291 1.364 20 0 ADADRO CCN(CC[NH3+])C(=O)C[C@H](C)C1CC1 877007303 583389288 /nfs/dbraw/zinc/38/92/88/583389288.db2.gz LLBZNITZPRPSPC-VIFPVBQESA-N 1 0 198.310 1.230 20 0 ADADRO CCN(CC[NH3+])C(=O)C[C@@H](C)C1CC1 877007302 583389316 /nfs/dbraw/zinc/38/93/16/583389316.db2.gz LLBZNITZPRPSPC-SECBINFHSA-N 1 0 198.310 1.230 20 0 ADADRO CO[C@H](C[NH3+])c1csc(C)n1 126229616 583389685 /nfs/dbraw/zinc/38/96/85/583389685.db2.gz XJMMACQZIGXGNW-SSDOTTSWSA-N 1 0 172.253 1.098 20 0 ADADRO CCC/C(C)=C\C(=O)N(CC)CC[NH3+] 877007601 583389642 /nfs/dbraw/zinc/38/96/42/583389642.db2.gz XKXBKSZTUMPJQC-KTKRTIGZSA-N 1 0 198.310 1.540 20 0 ADADRO CC(C)C[NH2+]Cc1ccc(Cl)nn1 876886581 583389695 /nfs/dbraw/zinc/38/96/95/583389695.db2.gz ZHLMRZBSLOXWOA-UHFFFAOYSA-N 1 0 199.685 1.876 20 0 ADADRO CCC/C=C\C(=O)N(CC)CC[NH3+] 877006384 583389853 /nfs/dbraw/zinc/38/98/53/583389853.db2.gz JOFQQOZZMLEWMZ-SREVYHEPSA-N 1 0 184.283 1.150 20 0 ADADRO Cc1cccc(C)c1COC1C[NH2+]C1 126214743 583389920 /nfs/dbraw/zinc/38/99/20/583389920.db2.gz FERGRRLOLLUPMH-UHFFFAOYSA-N 1 0 191.274 1.792 20 0 ADADRO CCN(CC[NH3+])C(=O)C=C1CCCC1 877007379 583389934 /nfs/dbraw/zinc/38/99/34/583389934.db2.gz NVLPPLSRYWIXAY-UHFFFAOYSA-N 1 0 196.294 1.294 20 0 ADADRO CC(C)c1noc(CCCCC[NH3+])n1 21950235 583389953 /nfs/dbraw/zinc/38/99/53/583389953.db2.gz XNLIDKOKQOZQOV-UHFFFAOYSA-N 1 0 197.282 1.865 20 0 ADADRO CCC[NH2+]Cc1ccc(Cl)nn1 876892400 583390012 /nfs/dbraw/zinc/39/00/12/583390012.db2.gz CEVDARKFDAXZDY-UHFFFAOYSA-N 1 0 185.658 1.630 20 0 ADADRO CCC/C=C/C(=O)N(CC)CC[NH3+] 877006388 583390047 /nfs/dbraw/zinc/39/00/47/583390047.db2.gz JOFQQOZZMLEWMZ-VOTSOKGWSA-N 1 0 184.283 1.150 20 0 ADADRO CO[C@@H](C[NH3+])c1csc(C)n1 126229872 583390057 /nfs/dbraw/zinc/39/00/57/583390057.db2.gz XJMMACQZIGXGNW-ZETCQYMHSA-N 1 0 172.253 1.098 20 0 ADADRO CC[NH2+]Cc1cc(C2CC2)no1 876878070 583390110 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[NH3+][C@H](CC(=O)NC1CCCC1)C1CC1 129736328 583453720 /nfs/dbraw/zinc/45/37/20/583453720.db2.gz LHQMNJLGHSHWGK-SNVBAGLBSA-N 1 0 196.294 1.173 20 0 ADADRO CC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC 882482992 583453762 /nfs/dbraw/zinc/45/37/62/583453762.db2.gz XQPPKECJHLQABM-UWVGGRQHSA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@H](C)C(=O)NC[C@H]1CC[N@@H+]1CC 882482993 583453765 /nfs/dbraw/zinc/45/37/65/583453765.db2.gz XQPPKECJHLQABM-VHSXEESVSA-N 1 0 198.310 1.243 20 0 ADADRO CCCCCC[NH2+]Cc1cnnn1C 129681859 583453893 /nfs/dbraw/zinc/45/38/93/583453893.db2.gz DEQCORZCBMETFM-UHFFFAOYSA-N 1 0 196.298 1.485 20 0 ADADRO CCCCC(=O)NC[C@H]1CC[N@@H+]1CC 882479316 583453911 /nfs/dbraw/zinc/45/39/11/583453911.db2.gz SILCLMAVTHMFFI-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO CC[N@@H+]1CC[C@H]1CNC(=O)CC(C)C 882478707 583453964 /nfs/dbraw/zinc/45/39/64/583453964.db2.gz BYIIHDXGOPHIMS-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+]1CC 882482994 583454051 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70881260 490017676 /nfs/dbraw/zinc/01/76/76/490017676.db2.gz FMCKXBANYHZLRV-QXEWZRGKSA-N 1 0 185.311 1.782 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@@H](O)C1CC1 70881506 490017742 /nfs/dbraw/zinc/01/77/42/490017742.db2.gz YZINTIULBLMKHI-PSASIEDQSA-N 1 0 171.284 1.393 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@H](O)C1CC1 70881499 490017746 /nfs/dbraw/zinc/01/77/46/490017746.db2.gz YZINTIULBLMKHI-WPRPVWTQSA-N 1 0 171.284 1.393 20 0 ADADRO CCC(CC)CN(C)[C@H]1CC[NH2+]C1 70892583 490018060 /nfs/dbraw/zinc/01/80/60/490018060.db2.gz CPWJWSIAIPWRIX-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CCOC[C@H](C)[NH2+]CCC(F)(F)F 70912847 490018072 /nfs/dbraw/zinc/01/80/72/490018072.db2.gz QBRXPCFGGRNPND-ZETCQYMHSA-N 1 0 199.216 1.953 20 0 ADADRO CCCCN(CCC)[C@H]1CC[NH2+]C1 70901669 490018100 /nfs/dbraw/zinc/01/81/00/490018100.db2.gz MVVCIKYEIQDCRM-NSHDSACASA-N 1 0 184.327 1.860 20 0 ADADRO CCN(CCC[NH3+])CCC(F)(F)F 70911805 490018114 /nfs/dbraw/zinc/01/81/14/490018114.db2.gz NMSVEUGZVBISQC-UHFFFAOYSA-N 1 0 198.232 1.610 20 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DXYAMSFZWLEOOP-NXEZZACHSA-N 1 0 173.300 1.783 20 0 ADADRO CN(CCC(C)(C)C)[C@H]1CC[NH2+]C1 70893157 490018267 /nfs/dbraw/zinc/01/82/67/490018267.db2.gz FKVIPTKMFABFKB-JTQLQIEISA-N 1 0 184.327 1.716 20 0 ADADRO CCC(CC)CN(C)[C@@H]1CC[NH2+]C1 70892576 490018283 /nfs/dbraw/zinc/01/82/83/490018283.db2.gz CPWJWSIAIPWRIX-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO CC[C@@](C)(CO)[NH2+]Cc1ccncc1 70898349 490018284 /nfs/dbraw/zinc/01/82/84/490018284.db2.gz SNZNPNLBIQIMJP-NSHDSACASA-N 1 0 194.278 1.332 20 0 ADADRO CC[C@](C)(CO)[NH2+]Cc1ccncc1 70898352 490018328 /nfs/dbraw/zinc/01/83/28/490018328.db2.gz SNZNPNLBIQIMJP-LLVKDONJSA-N 1 0 194.278 1.332 20 0 ADADRO COC[C@@H](C)[NH2+]Cc1ncccc1C 70908370 490018334 /nfs/dbraw/zinc/01/83/34/490018334.db2.gz ZPXLSPQCSHNJRK-SNVBAGLBSA-N 1 0 194.278 1.515 20 0 ADADRO CCOC[C@@H](C)[NH2+]CCC(F)(F)F 70912843 490018370 /nfs/dbraw/zinc/01/83/70/490018370.db2.gz QBRXPCFGGRNPND-SSDOTTSWSA-N 1 0 199.216 1.953 20 0 ADADRO CN(CCC(C)(C)C)[C@@H]1CC[NH2+]C1 70893153 490018388 /nfs/dbraw/zinc/01/83/88/490018388.db2.gz FKVIPTKMFABFKB-SNVBAGLBSA-N 1 0 184.327 1.716 20 0 ADADRO CCCCC[NH2+][C@H]1CCOC1 70962561 490018660 /nfs/dbraw/zinc/01/86/60/490018660.db2.gz XNBRHYLJPYUPMN-VIFPVBQESA-N 1 0 157.257 1.555 20 0 ADADRO CCCCOCC[NH2+][C@@H]1CCOC1 70968157 490018721 /nfs/dbraw/zinc/01/87/21/490018721.db2.gz KTRAQZZSUPGZNO-SNVBAGLBSA-N 1 0 187.283 1.182 20 0 ADADRO c1coc(CC[NH2+][C@H]2CCOC2)c1 70965512 490018753 /nfs/dbraw/zinc/01/87/53/490018753.db2.gz FCDWVSMHZHNGNH-VIFPVBQESA-N 1 0 181.235 1.201 20 0 ADADRO CCCCC[NH2+][C@@H]1CCOC1 70962557 490018890 /nfs/dbraw/zinc/01/88/90/490018890.db2.gz XNBRHYLJPYUPMN-SECBINFHSA-N 1 0 157.257 1.555 20 0 ADADRO C[C@H]([NH2+][C@H]1CCOC1)c1ccco1 70965539 490018924 /nfs/dbraw/zinc/01/89/24/490018924.db2.gz LAFBTDRHEMVNPV-IUCAKERBSA-N 1 0 181.235 1.719 20 0 ADADRO c1ccc(CC[NH2+][C@@H]2CCOC2)nc1 70963805 490018933 /nfs/dbraw/zinc/01/89/33/490018933.db2.gz WQSRKUQGCFWMDN-LLVKDONJSA-N 1 0 192.262 1.003 20 0 ADADRO C(C[NH2+][C@@H]1CCOC1)COCC1CC1 70964987 490018943 /nfs/dbraw/zinc/01/89/43/490018943.db2.gz JWUVLDBNVGUXKR-LLVKDONJSA-N 1 0 199.294 1.182 20 0 ADADRO CC(C)OCCC[NH2+][C@H]1CCOC1 70965052 490018952 /nfs/dbraw/zinc/01/89/52/490018952.db2.gz BSBNGTBKJSLBCG-JTQLQIEISA-N 1 0 187.283 1.180 20 0 ADADRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccco1 70965542 490018964 /nfs/dbraw/zinc/01/89/64/490018964.db2.gz LAFBTDRHEMVNPV-BDAKNGLRSA-N 1 0 181.235 1.719 20 0 ADADRO CCC[C@@H](C)[NH2+][C@H]1CCOC1 70962598 490018977 /nfs/dbraw/zinc/01/89/77/490018977.db2.gz CAGOAYMWMMEYPV-BDAKNGLRSA-N 1 0 157.257 1.554 20 0 ADADRO CC(C)CC[NH2+][C@H]1CCOC1 70963709 490018997 /nfs/dbraw/zinc/01/89/97/490018997.db2.gz XNUWMXMSZNYQJL-VIFPVBQESA-N 1 0 157.257 1.411 20 0 ADADRO C(C[NH2+][C@H]1CCOC1)COCC1CC1 70964990 490019007 /nfs/dbraw/zinc/01/90/07/490019007.db2.gz JWUVLDBNVGUXKR-NSHDSACASA-N 1 0 199.294 1.182 20 0 ADADRO c1ccc(CC[NH2+][C@H]2CCOC2)nc1 70963811 490019019 /nfs/dbraw/zinc/01/90/19/490019019.db2.gz WQSRKUQGCFWMDN-NSHDSACASA-N 1 0 192.262 1.003 20 0 ADADRO CCC[C@H](C)[NH2+][C@H]1CCOC1 70962603 490019035 /nfs/dbraw/zinc/01/90/35/490019035.db2.gz CAGOAYMWMMEYPV-IUCAKERBSA-N 1 0 157.257 1.554 20 0 ADADRO C1C[C@H]([NH2+]C(C2CC2)C2CC2)CO1 70964620 490019069 /nfs/dbraw/zinc/01/90/69/490019069.db2.gz CCZOCPBCJLBRMD-JTQLQIEISA-N 1 0 181.279 1.554 20 0 ADADRO CC(C)CC[NH2+][C@@H]1CCOC1 70963706 490019074 /nfs/dbraw/zinc/01/90/74/490019074.db2.gz XNUWMXMSZNYQJL-SECBINFHSA-N 1 0 157.257 1.411 20 0 ADADRO CC(C)CCC[NH2+][C@H]1CCOC1 70968112 490019078 /nfs/dbraw/zinc/01/90/78/490019078.db2.gz KCMOHECMUABHKR-JTQLQIEISA-N 1 0 171.284 1.801 20 0 ADADRO CCCCOCC[NH2+][C@H]1CCOC1 70968162 490019083 /nfs/dbraw/zinc/01/90/83/490019083.db2.gz KTRAQZZSUPGZNO-JTQLQIEISA-N 1 0 187.283 1.182 20 0 ADADRO c1coc(CC[NH2+][C@@H]2CCOC2)c1 70965509 490019088 /nfs/dbraw/zinc/01/90/88/490019088.db2.gz FCDWVSMHZHNGNH-SECBINFHSA-N 1 0 181.235 1.201 20 0 ADADRO CC(C)OCCC[NH2+][C@@H]1CCOC1 70965048 490019112 /nfs/dbraw/zinc/01/91/12/490019112.db2.gz BSBNGTBKJSLBCG-SNVBAGLBSA-N 1 0 187.283 1.180 20 0 ADADRO CCC(CC)[NH2+][C@@H]1CCCOC1 71011417 490019516 /nfs/dbraw/zinc/01/95/16/490019516.db2.gz RRQPVVHDEKYAMO-SNVBAGLBSA-N 1 0 171.284 1.944 20 0 ADADRO c1csc(CC[NH2+][C@H]2CCOC2)n1 70969637 490019522 /nfs/dbraw/zinc/01/95/22/490019522.db2.gz PBFLOZAZVVNKMP-QMMMGPOBSA-N 1 0 198.291 1.064 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H]1CCOC1 70969373 490019595 /nfs/dbraw/zinc/01/95/95/490019595.db2.gz RGWVPQJVHUIZTL-BDAKNGLRSA-N 1 0 157.257 1.411 20 0 ADADRO CC[C@H](C)C[NH2+][C@H]1CCCOC1 71011871 490019618 /nfs/dbraw/zinc/01/96/18/490019618.db2.gz ZEGIKXLRFQVYPL-UWVGGRQHSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@@H](C)C[NH2+][C@H]1CCCOC1 71011868 490019632 /nfs/dbraw/zinc/01/96/32/490019632.db2.gz ZEGIKXLRFQVYPL-ZJUUUORDSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@H](C)C[NH2+][C@@H]1CCCOC1 71011864 490019646 /nfs/dbraw/zinc/01/96/46/490019646.db2.gz ZEGIKXLRFQVYPL-VHSXEESVSA-N 1 0 171.284 1.801 20 0 ADADRO CC[C@@H](C)C[NH2+][C@@H]1CCCOC1 71011858 490019658 /nfs/dbraw/zinc/01/96/58/490019658.db2.gz ZEGIKXLRFQVYPL-NXEZZACHSA-N 1 0 171.284 1.801 20 0 ADADRO CCC(CC)[NH2+][C@H]1CCCOC1 71011419 490019662 /nfs/dbraw/zinc/01/96/62/490019662.db2.gz RRQPVVHDEKYAMO-JTQLQIEISA-N 1 0 171.284 1.944 20 0 ADADRO CCC[C@H](CC)[NH2+][C@H]1CCOC1 70969093 490019682 /nfs/dbraw/zinc/01/96/82/490019682.db2.gz GATJQURLIADAMR-UWVGGRQHSA-N 1 0 171.284 1.944 20 0 ADADRO CCCC[NH2+][C@H]1CCCOC1 71011629 490019745 /nfs/dbraw/zinc/01/97/45/490019745.db2.gz WMKCEAAWLXOOAK-VIFPVBQESA-N 1 0 157.257 1.555 20 0 ADADRO CCCC[C@H](C)[NH2+][C@H]1CCOC1 70969127 490019748 /nfs/dbraw/zinc/01/97/48/490019748.db2.gz XEJMIUHTNYJZSR-UWVGGRQHSA-N 1 0 171.284 1.944 20 0 ADADRO CCCC[C@@H](C)[NH2+][C@H]1CCOC1 70969123 490019760 /nfs/dbraw/zinc/01/97/60/490019760.db2.gz XEJMIUHTNYJZSR-ZJUUUORDSA-N 1 0 171.284 1.944 20 0 ADADRO CCC[C@@H](CC)[NH2+][C@H]1CCOC1 70969090 490019766 /nfs/dbraw/zinc/01/97/66/490019766.db2.gz GATJQURLIADAMR-ZJUUUORDSA-N 1 0 171.284 1.944 20 0 ADADRO c1csc(CC[NH2+][C@@H]2CCOC2)n1 70969634 490019771 /nfs/dbraw/zinc/01/97/71/490019771.db2.gz PBFLOZAZVVNKMP-MRVPVSSYSA-N 1 0 198.291 1.064 20 0 ADADRO CCCC[NH2+][C@@H]1CCCOC1 71011626 490019777 /nfs/dbraw/zinc/01/97/77/490019777.db2.gz WMKCEAAWLXOOAK-SECBINFHSA-N 1 0 157.257 1.555 20 0 ADADRO CC[C@H](C)C[NH2+][C@H]1CCOC1 70969380 490019804 /nfs/dbraw/zinc/01/98/04/490019804.db2.gz RGWVPQJVHUIZTL-IUCAKERBSA-N 1 0 157.257 1.411 20 0 ADADRO CCC[NH2+][C@H](C)c1nc(COC)no1 71002460 490019819 /nfs/dbraw/zinc/01/98/19/490019819.db2.gz GRHRTJUFSNOXDB-SSDOTTSWSA-N 1 0 199.254 1.277 20 0 ADADRO CCC[NH2+][C@@H](C)c1nc(COC)no1 71002458 490019836 /nfs/dbraw/zinc/01/98/36/490019836.db2.gz GRHRTJUFSNOXDB-ZETCQYMHSA-N 1 0 199.254 1.277 20 0 ADADRO Cc1ccc2c(c1)CN(CC[NH3+])CC2 71494831 490020177 /nfs/dbraw/zinc/02/01/77/490020177.db2.gz VCLLOMUVQCVXDL-UHFFFAOYSA-N 1 0 190.290 1.312 20 0 ADADRO C[NH+](C)CCSc1ncccn1 72263015 490020418 /nfs/dbraw/zinc/02/04/18/490020418.db2.gz ZQKKNAQCHCJXDH-UHFFFAOYSA-N 1 0 183.280 1.130 20 0 ADADRO CC(C)C[NH2+]Cc1cocn1 74342850 490021294 /nfs/dbraw/zinc/02/12/94/490021294.db2.gz CPIXNAZIDOEQSA-UHFFFAOYSA-N 1 0 154.213 1.420 20 0 ADADRO CC(C)C[C@@H]1CCC[N@@H+]1CCN 75560536 490022487 /nfs/dbraw/zinc/02/24/87/490022487.db2.gz DSKXKZVLGXVCSZ-JTQLQIEISA-N 1 0 170.300 1.456 20 0 ADADRO CC(C)C[C@H]1CCC[N@@H+]1CCN 75560541 490022533 /nfs/dbraw/zinc/02/25/33/490022533.db2.gz DSKXKZVLGXVCSZ-SNVBAGLBSA-N 1 0 170.300 1.456 20 0 ADADRO OC/C=C/C[NH2+]Cc1ccccc1 75567874 490022568 /nfs/dbraw/zinc/02/25/68/490022568.db2.gz WACKDSXYGOYGIG-SNAWJCMRSA-N 1 0 177.247 1.325 20 0 ADADRO Cc1[nH+]c2c(n1C)CCCC2 75838646 490022638 /nfs/dbraw/zinc/02/26/38/490022638.db2.gz HRLAIPZELGTTDG-UHFFFAOYSA-N 1 0 150.225 1.607 20 0 ADADRO Cc1noc(C)c1C[NH2+]C1CSC1 75124600 490022772 /nfs/dbraw/zinc/02/27/72/490022772.db2.gz HKSBQQHWXSGKCW-UHFFFAOYSA-N 1 0 198.291 1.496 20 0 ADADRO C[C@H](O)C[NH2+]CCCc1cccs1 76277263 490023104 /nfs/dbraw/zinc/02/31/04/490023104.db2.gz FSFXCBZIFNZFPZ-VIFPVBQESA-N 1 0 199.319 1.651 20 0 ADADRO CC(C)C[C@H](C[NH3+])CC(=O)NC1CC1 76582376 490023148 /nfs/dbraw/zinc/02/31/48/490023148.db2.gz POOCHJYTKIPXRL-VIFPVBQESA-N 1 0 198.310 1.276 20 0 ADADRO c1ncc(C[NH2+][C@@H]2CCOC2)s1 76628870 490023236 /nfs/dbraw/zinc/02/32/36/490023236.db2.gz QAAYXWIJRJAKJO-SSDOTTSWSA-N 1 0 184.264 1.022 20 0 ADADRO Cc1[nH+]c2c(n1CCO)CCCC2 76095323 490023250 /nfs/dbraw/zinc/02/32/50/490023250.db2.gz OEBGHTCVVRCZKC-UHFFFAOYSA-N 1 0 180.251 1.063 20 0 ADADRO c1coc(C[NH2+]C2CSC2)c1 76597371 490023271 /nfs/dbraw/zinc/02/32/71/490023271.db2.gz CFBFWGUYGXXQQO-UHFFFAOYSA-N 1 0 169.249 1.485 20 0 ADADRO C[C@H](O)C[NH2+]CCCc1ccco1 76276461 490023399 /nfs/dbraw/zinc/02/33/99/490023399.db2.gz BJGPLCOSVCFGIA-VIFPVBQESA-N 1 0 183.251 1.183 20 0 ADADRO c1ccc(C[NH2+]C2CSC2)cc1 76603621 490023404 /nfs/dbraw/zinc/02/34/04/490023404.db2.gz FVGVICLAJDUELH-UHFFFAOYSA-N 1 0 179.288 1.892 20 0 ADADRO C[C@@H](O)C[NH2+]CCCc1ccco1 76276462 490023489 /nfs/dbraw/zinc/02/34/89/490023489.db2.gz BJGPLCOSVCFGIA-SECBINFHSA-N 1 0 183.251 1.183 20 0 ADADRO CC(C)C[NH2+]C1CSC1 76577012 490023580 /nfs/dbraw/zinc/02/35/80/490023580.db2.gz VRGCQCMCZSWXGL-UHFFFAOYSA-N 1 0 145.271 1.347 20 0 ADADRO c1ncc(C[NH2+][C@H]2CCOC2)s1 76628875 490023602 /nfs/dbraw/zinc/02/36/02/490023602.db2.gz QAAYXWIJRJAKJO-ZETCQYMHSA-N 1 0 184.264 1.022 20 0 ADADRO C[C@@H](O)C[NH2+]CCCc1cccs1 76277264 490023632 /nfs/dbraw/zinc/02/36/32/490023632.db2.gz FSFXCBZIFNZFPZ-SECBINFHSA-N 1 0 199.319 1.651 20 0 ADADRO Cc1ccc(C[NH2+]C2CSC2)o1 76608150 490023637 /nfs/dbraw/zinc/02/36/37/490023637.db2.gz JQMKMZYKTQNHRS-UHFFFAOYSA-N 1 0 183.276 1.793 20 0 ADADRO c1ccc(C[NH2+]C2CSC2)nc1 76604503 490023661 /nfs/dbraw/zinc/02/36/61/490023661.db2.gz GEBNMWZZYSYJGP-UHFFFAOYSA-N 1 0 180.276 1.287 20 0 ADADRO CC(C)CN(C(=O)C[NH3+])C1CCCC1 76582512 490023671 /nfs/dbraw/zinc/02/36/71/490023671.db2.gz GTZPUYNYIDVADO-UHFFFAOYSA-N 1 0 198.310 1.372 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183.295 1.633 20 0 ADADRO OCC[N@H+](C[C@H]1CCCO1)C1CCC1 221175114 490078404 /nfs/dbraw/zinc/07/84/04/490078404.db2.gz HVFJNSHWRVPROI-LLVKDONJSA-N 1 0 199.294 1.012 20 0 ADADRO CCC1(C[NH2+]C2CC(OC)C2)CC1 221233067 490079109 /nfs/dbraw/zinc/07/91/09/490079109.db2.gz LMBGQSBYCCYUQL-UHFFFAOYSA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C[NH2+]C[C@@H]2CCOC2)CC1 221316637 490079119 /nfs/dbraw/zinc/07/91/19/490079119.db2.gz OTCAXDJHFSDRFM-VIFPVBQESA-N 1 0 169.268 1.413 20 0 ADADRO COC1CC([NH2+]CC2(OC)CCC2)C1 221263819 490079139 /nfs/dbraw/zinc/07/91/39/490079139.db2.gz UQOULNJWTTWZRC-UHFFFAOYSA-N 1 0 199.294 1.323 20 0 ADADRO COC1CC([NH2+]CC2(C3CC3)CC2)C1 221243250 490079181 /nfs/dbraw/zinc/07/91/81/490079181.db2.gz VBLWSERTVWHLIS-UHFFFAOYSA-N 1 0 195.306 1.944 20 0 ADADRO COC1CC([NH2+]C[C@@]2(C)CCCO2)C1 221241591 490079244 /nfs/dbraw/zinc/07/92/44/490079244.db2.gz ZTAYTTQMPKUULB-VQXHTEKXSA-N 1 0 199.294 1.323 20 0 ADADRO COC1CC([NH2+]CC(C)(C)OC)C1 221214721 490079269 /nfs/dbraw/zinc/07/92/69/490079269.db2.gz KLWRZDBIVCYVHK-UHFFFAOYSA-N 1 0 187.283 1.178 20 0 ADADRO OCC[N@H+](Cc1ccno1)C1CCC1 221204114 490079280 /nfs/dbraw/zinc/07/92/80/490079280.db2.gz FFCPIIZAWNIVOL-UHFFFAOYSA-N 1 0 196.250 1.021 20 0 ADADRO COC1CC([NH2+]CCC(F)(F)F)C1 221211755 490079320 /nfs/dbraw/zinc/07/93/20/490079320.db2.gz LNNZDWFZEGQAOU-UHFFFAOYSA-N 1 0 197.200 1.706 20 0 ADADRO COC1CC([NH2+]CCOC(C)C)C1 221272351 490079378 /nfs/dbraw/zinc/07/93/78/490079378.db2.gz DQULHPUNAYLONU-UHFFFAOYSA-N 1 0 187.283 1.178 20 0 ADADRO COC1CC([NH2+]C[C@]2(C)CCCO2)C1 221241652 490079573 /nfs/dbraw/zinc/07/95/73/490079573.db2.gz ZTAYTTQMPKUULB-ILDUYXDCSA-N 1 0 199.294 1.323 20 0 ADADRO CC(C)(CCCO)C[NH2+]CC1CC1 221396178 490080145 /nfs/dbraw/zinc/08/01/45/490080145.db2.gz JBBDKQHZANHMGN-UHFFFAOYSA-N 1 0 185.311 1.785 20 0 ADADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCO)C1 221765589 490080166 /nfs/dbraw/zinc/08/01/66/490080166.db2.gz HRZZIICAVIGUSC-BBBLOLIVSA-N 1 0 171.284 1.393 20 0 ADADRO C[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C)C1 221670194 490080257 /nfs/dbraw/zinc/08/02/57/490080257.db2.gz SQRYXJOECNKGDW-UTLUCORTSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CCN 221971295 490080322 /nfs/dbraw/zinc/08/03/22/490080322.db2.gz WOUCBYXZQHPGDQ-KXUCPTDWSA-N 1 0 170.300 1.359 20 0 ADADRO CC[N@@H+]1CCC[C@@H](OC(C)C)C1 221991291 490080342 /nfs/dbraw/zinc/08/03/42/490080342.db2.gz OFAVKQKQCMLJIO-SNVBAGLBSA-N 1 0 171.284 1.896 20 0 ADADRO C[C@H](O)CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 221760341 490080400 /nfs/dbraw/zinc/08/04/00/490080400.db2.gz QWCBXKQVXYMCTK-VWYCJHECSA-N 1 0 185.311 1.735 20 0 ADADRO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCO 221714298 490080501 /nfs/dbraw/zinc/08/05/01/490080501.db2.gz YPLOBBBIBFSUAA-VWYCJHECSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCN 221971395 490080516 /nfs/dbraw/zinc/08/05/16/490080516.db2.gz WOUCBYXZQHPGDQ-UTLUCORTSA-N 1 0 170.300 1.359 20 0 ADADRO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 221772395 490080569 /nfs/dbraw/zinc/08/05/69/490080569.db2.gz YUEQWZGDTOTCPQ-GRYCIOLGSA-N 1 0 199.338 1.981 20 0 ADADRO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCO 221765702 490080577 /nfs/dbraw/zinc/08/05/77/490080577.db2.gz HRZZIICAVIGUSC-UTLUCORTSA-N 1 0 171.284 1.393 20 0 ADADRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCO)C1 221714199 490080585 /nfs/dbraw/zinc/08/05/85/490080585.db2.gz YPLOBBBIBFSUAA-MXWKQRLJSA-N 1 0 185.311 1.783 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC1 221805516 490080677 /nfs/dbraw/zinc/08/06/77/490080677.db2.gz NXLSRDFNXBTACZ-VGMNWLOBSA-N 1 0 171.284 1.798 20 0 ADADRO CC[N@@H+]1CCC[C@H](OC(C)C)C1 221991229 490080740 /nfs/dbraw/zinc/08/07/40/490080740.db2.gz OFAVKQKQCMLJIO-JTQLQIEISA-N 1 0 171.284 1.896 20 0 ADADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CC1 221805583 490080751 /nfs/dbraw/zinc/08/07/51/490080751.db2.gz NXLSRDFNXBTACZ-CIUDSAMLSA-N 1 0 171.284 1.798 20 0 ADADRO CC[C@H]([NH2+]C1CCCC1)C(=O)NC 221978297 490080760 /nfs/dbraw/zinc/08/07/60/490080760.db2.gz BEKQWYPZXXXXKC-VIFPVBQESA-N 1 0 184.283 1.043 20 0 ADADRO C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H](C)C1 221670246 490080779 /nfs/dbraw/zinc/08/07/79/490080779.db2.gz SQRYXJOECNKGDW-GUBZILKMSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 221786736 490080846 /nfs/dbraw/zinc/08/08/46/490080846.db2.gz KXJTWIFTUZSULV-XWLWVQCSSA-N 1 0 185.311 1.782 20 0 ADADRO CCOCC[N@@H+]1CC[C@H](F)C1 222252831 490081351 /nfs/dbraw/zinc/08/13/51/490081351.db2.gz LMKUXYSZMBRZQX-QMMMGPOBSA-N 1 0 161.220 1.067 20 0 ADADRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccncc1 231367676 490085416 /nfs/dbraw/zinc/08/54/16/490085416.db2.gz ZNHZZTXUOBNKGF-GXSJLCMTSA-N 1 0 193.294 1.470 20 0 ADADRO CC[C@@H](C)C[N@@H+]1CCN[C@@H](C(C)C)C1 223592105 490082339 /nfs/dbraw/zinc/08/23/39/490082339.db2.gz HRBNPOPIVNXIDP-VXGBXAGGSA-N 1 0 198.354 1.962 20 0 ADADRO CC[C@H](C)C[N@@H+]1CCN[C@@H](C(C)C)C1 223592163 490082490 /nfs/dbraw/zinc/08/24/90/490082490.db2.gz HRBNPOPIVNXIDP-NWDGAFQWSA-N 1 0 198.354 1.962 20 0 ADADRO C[C@H]([NH3+])CN1C[C@H](C)S[C@@H](C)C1 226682921 490083461 /nfs/dbraw/zinc/08/34/61/490083461.db2.gz LGDLMHSUWAZNNG-CIUDSAMLSA-N 1 0 188.340 1.159 20 0 ADADRO CO[C@@]1(C)CCC[N@H+](CC(C)=O)C1 230275528 490084198 /nfs/dbraw/zinc/08/41/98/490084198.db2.gz XSEROYCWKWQPQH-JTQLQIEISA-N 1 0 185.267 1.076 20 0 ADADRO CC[N@H+](CC1CCC1)CC(C)(C)N 230321099 490084432 /nfs/dbraw/zinc/08/44/32/490084432.db2.gz SSIHBQHCGMLITF-UHFFFAOYSA-N 1 0 184.327 1.846 20 0 ADADRO CO[C@]1(C)CCC[N@H+](CC(C)=O)C1 230275531 490084607 /nfs/dbraw/zinc/08/46/07/490084607.db2.gz XSEROYCWKWQPQH-SNVBAGLBSA-N 1 0 185.267 1.076 20 0 ADADRO CC[C@H]([NH3+])CN[C@H](C)c1ccncc1 231367705 490085253 /nfs/dbraw/zinc/08/52/53/490085253.db2.gz ZNHZZTXUOBNKGF-KOLCDFICSA-N 1 0 193.294 1.470 20 0 ADADRO CCC[N@@H+]1CCCC[C@@H]1COC 231393077 490085288 /nfs/dbraw/zinc/08/52/88/490085288.db2.gz SIAABQDAVBWGMG-SNVBAGLBSA-N 1 0 171.284 1.897 20 0 ADADRO CCC[N@@H+]1CCCC[C@H]1COC 231393105 490085329 /nfs/dbraw/zinc/08/53/29/490085329.db2.gz SIAABQDAVBWGMG-JTQLQIEISA-N 1 0 171.284 1.897 20 0 ADADRO CC[C@@H]([NH3+])CN[C@H](C)c1ccncc1 231367732 490085376 /nfs/dbraw/zinc/08/53/76/490085376.db2.gz ZNHZZTXUOBNKGF-MWLCHTKSSA-N 1 0 193.294 1.470 20 0 ADADRO CCN(CC[NH3+])CCc1cccs1 231360790 490085389 /nfs/dbraw/zinc/08/53/89/490085389.db2.gz NUMPVOVDGKZLRE-UHFFFAOYSA-N 1 0 198.335 1.571 20 0 ADADRO CC[C@H]([NH3+])CN[C@@H](C)c1ccncc1 231367653 490085479 /nfs/dbraw/zinc/08/54/79/490085479.db2.gz ZNHZZTXUOBNKGF-ONGXEEELSA-N 1 0 193.294 1.470 20 0 ADADRO CCCC[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1 238251691 490085987 /nfs/dbraw/zinc/08/59/87/490085987.db2.gz VJQWBSRREMFSII-NXEZZACHSA-N 1 0 198.310 1.291 20 0 ADADRO CCCC[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 238251699 490086122 /nfs/dbraw/zinc/08/61/22/490086122.db2.gz VJQWBSRREMFSII-ZJUUUORDSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H](O)C[NH2+][C@H]1CC(C)(C)C[C@H]1C 300061960 490089077 /nfs/dbraw/zinc/08/90/77/490089077.db2.gz LDLBWBRNUKWJSO-UTLUCORTSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 300215043 490089094 /nfs/dbraw/zinc/08/90/94/490089094.db2.gz IAHCTXWYPROTJT-GWOFURMSSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@](C)(O)C2)O1 300029594 490089191 /nfs/dbraw/zinc/08/91/91/490089191.db2.gz LKCUINGUEVPZAY-MXWKQRLJSA-N 1 0 199.294 1.011 20 0 ADADRO C[C@]1(O)CCC[N@@H+]([C@H]2CCCOC2)C1 300215190 490089232 /nfs/dbraw/zinc/08/92/32/490089232.db2.gz QGWJOHLAIQKQSE-QWRGUYRKSA-N 1 0 199.294 1.012 20 0 ADADRO C[C@H](O)C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 300215044 490089374 /nfs/dbraw/zinc/08/93/74/490089374.db2.gz IAHCTXWYPROTJT-ZNSHCXBVSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@](C)(O)C2)O1 300029595 490089447 /nfs/dbraw/zinc/08/94/47/490089447.db2.gz LKCUINGUEVPZAY-VWYCJHECSA-N 1 0 199.294 1.011 20 0 ADADRO C[C@H](CO)[NH2+][C@@H]1CC(C)(C)C[C@H]1C 300212082 490089456 /nfs/dbraw/zinc/08/94/56/490089456.db2.gz OXACCNYTXJKIRE-OPRDCNLKSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@H](CO)[NH2+][C@H]1CC(C)(C)C[C@H]1C 300212081 490089468 /nfs/dbraw/zinc/08/94/68/490089468.db2.gz OXACCNYTXJKIRE-BBBLOLIVSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 300215042 490089493 /nfs/dbraw/zinc/08/94/93/490089493.db2.gz IAHCTXWYPROTJT-DBIOUOCHSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@]1(O)CCC[N@@H+]([C@H]2CCCOC2)C1 300215191 490089510 /nfs/dbraw/zinc/08/95/10/490089510.db2.gz QGWJOHLAIQKQSE-WDEREUQCSA-N 1 0 199.294 1.012 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCSC1 300211008 490089541 /nfs/dbraw/zinc/08/95/41/490089541.db2.gz MZJYRKXFNWBPNU-BBBLOLIVSA-N 1 0 185.336 1.985 20 0 ADADRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCSC1 300211010 490089667 /nfs/dbraw/zinc/08/96/67/490089667.db2.gz MZJYRKXFNWBPNU-OPRDCNLKSA-N 1 0 185.336 1.985 20 0 ADADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 300332819 490092789 /nfs/dbraw/zinc/09/27/89/490092789.db2.gz YAKOJMJIEJZXEH-MNOVXSKESA-N 1 0 185.311 1.879 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C 300061958 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185.311 1.783 20 0 ADADRO CCNC(=O)C[NH2+][C@@H]1CCC(C)(C)C1 87770108 491031912 /nfs/dbraw/zinc/03/19/12/491031912.db2.gz DWJALHYOLYEAOQ-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(N)=O 87770059 491031922 /nfs/dbraw/zinc/03/19/22/491031922.db2.gz PGIWIBKZXBVIOB-HTQZYQBOSA-N 1 0 184.283 1.029 20 0 ADADRO CC1(C)CC[C@H]([NH2+]C[C@H](O)C2CC2)C1 87771786 491031935 /nfs/dbraw/zinc/03/19/35/491031935.db2.gz OLCSISGRGTUQGX-QWRGUYRKSA-N 1 0 197.322 1.926 20 0 ADADRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 87771787 491031937 /nfs/dbraw/zinc/03/19/37/491031937.db2.gz OLCSISGRGTUQGX-MNOVXSKESA-N 1 0 197.322 1.926 20 0 ADADRO FCC[NH2+]Cc1ccncc1 87774694 491031947 /nfs/dbraw/zinc/03/19/47/491031947.db2.gz YBSSRMAQHJLFFM-UHFFFAOYSA-N 1 0 154.188 1.141 20 0 ADADRO COCc1cccc(C[NH2+]CCF)c1 87774826 491031958 /nfs/dbraw/zinc/03/19/58/491031958.db2.gz WYXBZFXBTDITNM-UHFFFAOYSA-N 1 0 197.253 1.892 20 0 ADADRO CCC[NH+]1CCC(NCCF)CC1 87774957 491031971 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CC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 135085337 491039656 /nfs/dbraw/zinc/03/96/56/491039656.db2.gz UJGWKJHWLNCXOP-HBNTYKKESA-N 1 0 185.311 1.735 20 0 ADADRO C[C@@H]1CC[N@H+](CCCCO)C[C@@H]1C 135084883 491039658 /nfs/dbraw/zinc/03/96/58/491039658.db2.gz OPLKEGGALYICNH-MNOVXSKESA-N 1 0 185.311 1.737 20 0 ADADRO CC[C@H](CO)[NH2+]Cc1cnccc1C 135436023 491039670 /nfs/dbraw/zinc/03/96/70/491039670.db2.gz ZSJRPIKDSSCOJN-LLVKDONJSA-N 1 0 194.278 1.251 20 0 ADADRO COC[C@@H](C)[NH2+]Cc1cnccc1C 135429550 491039674 /nfs/dbraw/zinc/03/96/74/491039674.db2.gz OBFJMLKUGOLQAW-SNVBAGLBSA-N 1 0 194.278 1.515 20 0 ADADRO CC(C)OCC[NH2+]CC1=CCCOC1 134985351 491039677 /nfs/dbraw/zinc/03/96/77/491039677.db2.gz JCLOXSMZKVPEOA-UHFFFAOYSA-N 1 0 199.294 1.348 20 0 ADADRO CC(C)CC[N@H+](C)[C@H](C)CO 135510165 491039699 /nfs/dbraw/zinc/03/96/99/491039699.db2.gz KJSHIQPHAFHYBO-SECBINFHSA-N 1 0 159.273 1.345 20 0 ADADRO CC(C)C[C@H]([NH3+])C(=O)NC1CC(C)C1 158247991 491039915 /nfs/dbraw/zinc/03/99/15/491039915.db2.gz 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222145226 491040817 /nfs/dbraw/zinc/04/08/17/491040817.db2.gz SJWLBNCPOUNDJO-HRDYMLBCSA-N 1 0 189.324 1.505 20 0 ADADRO [NH3+]CCNC(=O)CC1CCCCCC1 157908373 491039861 /nfs/dbraw/zinc/03/98/61/491039861.db2.gz IJOYEJROQJZQKA-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO CC1CC(NC(=O)CC(C)(C)[NH3+])C1 158252638 491039866 /nfs/dbraw/zinc/03/98/66/491039866.db2.gz QHYIVOSJIJYZHC-UHFFFAOYSA-N 1 0 184.283 1.029 20 0 ADADRO CCC[C@@](C)([NH3+])C(=O)NC1CC(C)C1 158260336 491039869 /nfs/dbraw/zinc/03/98/69/491039869.db2.gz ZSLCFTJELMKJLR-NWGYLPEXSA-N 1 0 198.310 1.419 20 0 ADADRO CC1CC(NC(=O)CC2([NH3+])CCC2)C1 158259756 491039880 /nfs/dbraw/zinc/03/98/80/491039880.db2.gz JRYARFPPLICSOO-UHFFFAOYSA-N 1 0 196.294 1.173 20 0 ADADRO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC(C)C1 158258408 491039901 /nfs/dbraw/zinc/03/99/01/491039901.db2.gz LHBKGILCRGSTLU-LRHRNSLUSA-N 1 0 198.310 1.275 20 0 ADADRO C[C@H](C[NH3+])N(C)C(=O)CC1CCCC1 158291481 491039908 /nfs/dbraw/zinc/03/99/08/491039908.db2.gz WZKDOWUCVHRCNZ-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO CCC[C@](C)([NH3+])C(=O)NC1CC(C)C1 158260202 491039917 /nfs/dbraw/zinc/03/99/17/491039917.db2.gz ZSLCFTJELMKJLR-AMUVOQDHSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC(C)C1 158258307 491039919 /nfs/dbraw/zinc/03/99/19/491039919.db2.gz LHBKGILCRGSTLU-RGWUEKKESA-N 1 0 198.310 1.275 20 0 ADADRO CC(C)C[C@@H]([NH3+])C(=O)NC1CC(C)C1 158247839 491039923 /nfs/dbraw/zinc/03/99/23/491039923.db2.gz QTVBYCFYQKNWTL-UDNWOFFPSA-N 1 0 198.310 1.275 20 0 ADADRO CC1CC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 158248766 491039928 /nfs/dbraw/zinc/03/99/28/491039928.db2.gz OYJCCBXKPHPRGF-BMNUFHGDSA-N 1 0 196.294 1.029 20 0 ADADRO C[C@@H](C[NH3+])N(C)C(=O)CC1CCCC1 158291350 491039943 /nfs/dbraw/zinc/03/99/43/491039943.db2.gz WZKDOWUCVHRCNZ-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO CC1CC(NC(=O)CCC(C)(C)[NH3+])C1 158253361 491039946 /nfs/dbraw/zinc/03/99/46/491039946.db2.gz MUSNZXSTPBRGFZ-UHFFFAOYSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 158490340 491039952 /nfs/dbraw/zinc/03/99/52/491039952.db2.gz MZKAPNHXPXVVDO-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 158493997 491039957 /nfs/dbraw/zinc/03/99/57/491039957.db2.gz MZQKEKSOVRTBMN-VHSXEESVSA-N 1 0 198.310 1.100 20 0 ADADRO CC[C@H]1CCN(C(=O)[C@@H](C)C[NH2+]C)C1 158494142 491039968 /nfs/dbraw/zinc/03/99/68/491039968.db2.gz MZQKEKSOVRTBMN-UWVGGRQHSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 158504791 491039969 /nfs/dbraw/zinc/03/99/69/491039969.db2.gz QWSGBWGWOBKMKB-DCAQKATOSA-N 1 0 183.295 1.632 20 0 ADADRO CC[C@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 158494449 491039971 /nfs/dbraw/zinc/03/99/71/491039971.db2.gz MZQKEKSOVRTBMN-ZJUUUORDSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1C 158495119 491039972 /nfs/dbraw/zinc/03/99/72/491039972.db2.gz HHYNCDVXYOPULL-DCAQKATOSA-N 1 0 185.311 1.878 20 0 ADADRO C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1C 158495268 491039979 /nfs/dbraw/zinc/03/99/79/491039979.db2.gz HHYNCDVXYOPULL-OUAUKWLOSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@@H]1CCN(C(=O)[C@H](C)C[NH2+]C)C1 158494300 491039989 /nfs/dbraw/zinc/03/99/89/491039989.db2.gz MZQKEKSOVRTBMN-NXEZZACHSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@H](N)C[N@H+](C)[C@@H]1CCCC[C@@H]1C 158478210 491039990 /nfs/dbraw/zinc/03/99/90/491039990.db2.gz COSFQCIDGKYCMK-GARJFASQSA-N 1 0 184.327 1.844 20 0 ADADRO C[C@H](N)C[N@H+](C)[C@@H]1CCCC[C@H]1C 158478056 491039994 /nfs/dbraw/zinc/03/99/94/491039994.db2.gz COSFQCIDGKYCMK-OUAUKWLOSA-N 1 0 184.327 1.844 20 0 ADADRO C[C@H](N)C[N@H+](C)[C@H]1CCCC[C@@H]1C 158477921 491040003 /nfs/dbraw/zinc/04/00/03/491040003.db2.gz COSFQCIDGKYCMK-DCAQKATOSA-N 1 0 184.327 1.844 20 0 ADADRO C[C@@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 158504625 491040010 /nfs/dbraw/zinc/04/00/10/491040010.db2.gz QWSGBWGWOBKMKB-VWYCJHECSA-N 1 0 183.295 1.632 20 0 ADADRO C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C 158495407 491040014 /nfs/dbraw/zinc/04/00/14/491040014.db2.gz HHYNCDVXYOPULL-GARJFASQSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@@H]1CCN(C(=O)CCC[NH2+]C)C1 158487892 491040016 /nfs/dbraw/zinc/04/00/16/491040016.db2.gz UWKVZSHQLLHGGT-SNVBAGLBSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C 158494996 491040017 /nfs/dbraw/zinc/04/00/17/491040017.db2.gz HHYNCDVXYOPULL-VWYCJHECSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@H]1CCN(C(=O)CCC[NH2+]C)C1 158488040 491040025 /nfs/dbraw/zinc/04/00/25/491040025.db2.gz UWKVZSHQLLHGGT-JTQLQIEISA-N 1 0 198.310 1.245 20 0 ADADRO C[C@H](N)C[N@H+](C)[C@H]1CCCC[C@H]1C 158477769 491040026 /nfs/dbraw/zinc/04/00/26/491040026.db2.gz COSFQCIDGKYCMK-VWYCJHECSA-N 1 0 184.327 1.844 20 0 ADADRO COC[C@@H]1CC[N@@H+](C(C)C)C1 200516113 491040241 /nfs/dbraw/zinc/04/02/41/491040241.db2.gz BXBZZRYBDLKNGJ-SECBINFHSA-N 1 0 157.257 1.363 20 0 ADADRO CC[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 158490213 491040035 /nfs/dbraw/zinc/04/00/35/491040035.db2.gz MZKAPNHXPXVVDO-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H](C)CC(=O)N(C)[C@@H](C)C[NH3+] 164786736 491040097 /nfs/dbraw/zinc/04/00/97/491040097.db2.gz VJZVLPOSWBSHKN-BDAKNGLRSA-N 1 0 186.299 1.228 20 0 ADADRO CC[C@H](C)CC(=O)N(C)[C@@H](C)C[NH3+] 164786826 491040099 /nfs/dbraw/zinc/04/00/99/491040099.db2.gz VJZVLPOSWBSHKN-IUCAKERBSA-N 1 0 186.299 1.228 20 0 ADADRO CC[C@@H](C)CC(=O)N(C)[C@H](C)C[NH3+] 164786896 491040106 /nfs/dbraw/zinc/04/01/06/491040106.db2.gz VJZVLPOSWBSHKN-RKDXNWHRSA-N 1 0 186.299 1.228 20 0 ADADRO CC[C@H](C)CC(=O)N(C)[C@H](C)C[NH3+] 164786961 491040107 /nfs/dbraw/zinc/04/01/07/491040107.db2.gz VJZVLPOSWBSHKN-DTWKUNHWSA-N 1 0 186.299 1.228 20 0 ADADRO COC[C@H]1CC[N@@H+](C(C)C)C1 200516083 491040260 /nfs/dbraw/zinc/04/02/60/491040260.db2.gz BXBZZRYBDLKNGJ-VIFPVBQESA-N 1 0 157.257 1.363 20 0 ADADRO CCOC(=O)C[N@H+](C)C(C)(C)C 196280779 491040135 /nfs/dbraw/zinc/04/01/35/491040135.db2.gz QTPDJZUDXNDDGE-UHFFFAOYSA-N 1 0 173.256 1.280 20 0 ADADRO CCCCCC(=O)NCC[NH+](C)C 196625530 491040147 /nfs/dbraw/zinc/04/01/47/491040147.db2.gz UCMIHHNXXZIFRT-UHFFFAOYSA-N 1 0 186.299 1.245 20 0 ADADRO Clc1ccn2c[nH+]cc2c1 200664644 491040264 /nfs/dbraw/zinc/04/02/64/491040264.db2.gz XPWKAAMGBASEPA-UHFFFAOYSA-N 1 0 152.584 1.988 20 0 ADADRO CCCC[NH2+]C(C)(C)CN(C)C 196624128 491040159 /nfs/dbraw/zinc/04/01/59/491040159.db2.gz VKBPDGZAFBNTAE-UHFFFAOYSA-N 1 0 172.316 1.716 20 0 ADADRO CC(=O)C[N@H+](C)CCC(C)(C)C 199906278 491040189 /nfs/dbraw/zinc/04/01/89/491040189.db2.gz AHMZXSDGIWJGIK-UHFFFAOYSA-N 1 0 171.284 1.943 20 0 ADADRO CC[N@H+](CC(=O)OC)CC(C)(C)C 199905769 491040199 /nfs/dbraw/zinc/04/01/99/491040199.db2.gz HDSSYNAAHTZTEC-UHFFFAOYSA-N 1 0 187.283 1.527 20 0 ADADRO CC[N@H+](CC(C)=O)CC(C)(C)C 199907259 491040204 /nfs/dbraw/zinc/04/02/04/491040204.db2.gz XJEJMQKOWBWUPN-UHFFFAOYSA-N 1 0 171.284 1.943 20 0 ADADRO CC1(C)C[C@H]1C[NH2+]Cc1csnn1 224807938 491041960 /nfs/dbraw/zinc/04/19/60/491041960.db2.gz STDILYMJVMCDPC-ZETCQYMHSA-N 1 0 197.307 1.674 20 0 ADADRO CC[C@@H](C)C[N@@H+]1CC[C@@H](CO)C1 225976381 491042476 /nfs/dbraw/zinc/04/24/76/491042476.db2.gz IVCPNHQUMOBOJF-NXEZZACHSA-N 1 0 171.284 1.347 20 0 ADADRO CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 227189730 491043515 /nfs/dbraw/zinc/04/35/15/491043515.db2.gz CIVLAQUWCPCIJQ-UTLUCORTSA-N 1 0 198.310 1.289 20 0 ADADRO CC1(C[NH2+]CC2CC2)CCOCC1 227834709 491044059 /nfs/dbraw/zinc/04/40/59/491044059.db2.gz BNOZPNQLHCDKIJ-UHFFFAOYSA-N 1 0 183.295 1.803 20 0 ADADRO C[C@@H](O)CCC[NH2+][C@H]1CCSC1 228025297 491044305 /nfs/dbraw/zinc/04/43/05/491044305.db2.gz OTBVYNSMQKZFJV-BDAKNGLRSA-N 1 0 189.324 1.243 20 0 ADADRO COCC[C@H](C)[NH2+]CCC[C@@H](C)O 228030351 491044307 /nfs/dbraw/zinc/04/43/07/491044307.db2.gz HMLNYBAKHITTEB-VHSXEESVSA-N 1 0 189.299 1.162 20 0 ADADRO CC[C@H](COC)[NH2+]CCC[C@H](C)O 228037668 491044310 /nfs/dbraw/zinc/04/43/10/491044310.db2.gz IHXZCZDDODBZJC-VHSXEESVSA-N 1 0 189.299 1.162 20 0 ADADRO CC1CC([NH2+]CCC[C@H](C)O)C1 228035264 491044312 /nfs/dbraw/zinc/04/43/12/491044312.db2.gz XBVRPPBWZARHQH-KYHHOPLUSA-N 1 0 171.284 1.536 20 0 ADADRO CC1(C[NH2+]CC2CCOCC2)CC1 228043798 491044313 /nfs/dbraw/zinc/04/43/13/491044313.db2.gz RTCCLIJCVZCJSE-UHFFFAOYSA-N 1 0 183.295 1.803 20 0 ADADRO CCC(CC)[NH2+]CCC[C@@H](C)O 228035684 491044315 /nfs/dbraw/zinc/04/43/15/491044315.db2.gz GNIWYHMFNZGVDF-SECBINFHSA-N 1 0 173.300 1.926 20 0 ADADRO CCC[C@@H](C)[NH2+]CCC[C@@H](C)O 228042626 491044316 /nfs/dbraw/zinc/04/43/16/491044316.db2.gz OCDAMXSCVXNECA-NXEZZACHSA-N 1 0 173.300 1.926 20 0 ADADRO C[C@@H]([NH2+]CC1(C)CC1)[C@H]1CCOC1 222185673 491040848 /nfs/dbraw/zinc/04/08/48/491040848.db2.gz RDPFRXCUKVGYCN-ZJUUUORDSA-N 1 0 183.295 1.801 20 0 ADADRO CO[C@H](C)[C@H](C)[NH2+]CC1(C)CC1 222190361 491040850 /nfs/dbraw/zinc/04/08/50/491040850.db2.gz DSSAUSPTHPPMAE-DTWKUNHWSA-N 1 0 171.284 1.800 20 0 ADADRO CC[C@@H](COC)[NH2+]CC1(C)CC1 222185430 491040855 /nfs/dbraw/zinc/04/08/55/491040855.db2.gz PMQZPCSUCILKOU-VIFPVBQESA-N 1 0 171.284 1.801 20 0 ADADRO C[C@H]([NH2+]CC1(C)CC1)[C@@H]1CCOC1 222185612 491040857 /nfs/dbraw/zinc/04/08/57/491040857.db2.gz RDPFRXCUKVGYCN-VHSXEESVSA-N 1 0 183.295 1.801 20 0 ADADRO C[C@H]([NH2+]CC1(C)CC1)[C@H]1CCOC1 222185728 491040868 /nfs/dbraw/zinc/04/08/68/491040868.db2.gz RDPFRXCUKVGYCN-UWVGGRQHSA-N 1 0 183.295 1.801 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+]CC1(C)CC1 222190242 491040869 /nfs/dbraw/zinc/04/08/69/491040869.db2.gz DSSAUSPTHPPMAE-RKDXNWHRSA-N 1 0 171.284 1.800 20 0 ADADRO C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1CCOC1 222185553 491040874 /nfs/dbraw/zinc/04/08/74/491040874.db2.gz RDPFRXCUKVGYCN-NXEZZACHSA-N 1 0 183.295 1.801 20 0 ADADRO CC1(C[NH2+][C@H]2CCN(C3CC3)C2)CC1 222182247 491040879 /nfs/dbraw/zinc/04/08/79/491040879.db2.gz KFBKPGQROJCROJ-JTQLQIEISA-N 1 0 194.322 1.613 20 0 ADADRO CC1(C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 222182199 491040884 /nfs/dbraw/zinc/04/08/84/491040884.db2.gz KFBKPGQROJCROJ-SNVBAGLBSA-N 1 0 194.322 1.613 20 0 ADADRO CC[C@H](COC)[NH2+]CC1(C)CC1 222185484 491040885 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20 0 ADADRO C[C@H]([NH2+]CC1(C)CC1)c1cnn(C)c1 222177367 491040937 /nfs/dbraw/zinc/04/09/37/491040937.db2.gz UZDGDPXMMPKZST-VIFPVBQESA-N 1 0 193.294 1.871 20 0 ADADRO C[C@@H]([NH2+]CC1(C)CC1)c1cnn(C)c1 222177312 491040938 /nfs/dbraw/zinc/04/09/38/491040938.db2.gz UZDGDPXMMPKZST-SECBINFHSA-N 1 0 193.294 1.871 20 0 ADADRO CO[C@@H](C)[C@H](C)[NH2+]CC1(C)CC1 222190300 491040945 /nfs/dbraw/zinc/04/09/45/491040945.db2.gz DSSAUSPTHPPMAE-IUCAKERBSA-N 1 0 171.284 1.800 20 0 ADADRO CC[C@@H](COC)[NH2+]CCC[C@H](C)O 228037656 491044323 /nfs/dbraw/zinc/04/43/23/491044323.db2.gz IHXZCZDDODBZJC-UWVGGRQHSA-N 1 0 189.299 1.162 20 0 ADADRO COC[C@H]([NH2+]CC1(C)CC1)C1CC1 222173730 491040949 /nfs/dbraw/zinc/04/09/49/491040949.db2.gz FNCCUDGNWOEZHL-JTQLQIEISA-N 1 0 183.295 1.801 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC1 222190177 491040957 /nfs/dbraw/zinc/04/09/57/491040957.db2.gz DSSAUSPTHPPMAE-BDAKNGLRSA-N 1 0 171.284 1.800 20 0 ADADRO CCC[N@H+](CC)CCNC(=O)C1CC1 222269836 491040974 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SRHNUXWTSDAQIU-QMMMGPOBSA-N 1 0 184.283 1.029 20 0 ADADRO CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]1C 379371779 697849194 /nfs/dbraw/zinc/84/91/94/697849194.db2.gz UGVGZDOEMKFXNC-MXWKQRLJSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]1C 379371777 697849203 /nfs/dbraw/zinc/84/92/03/697849203.db2.gz UGVGZDOEMKFXNC-AXFHLTTASA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@](C)(O)C[NH2+][C@H]1CC[C@@H]1C 379371778 697849205 /nfs/dbraw/zinc/84/92/05/697849205.db2.gz UGVGZDOEMKFXNC-DCAQKATOSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@](C)(O)C[NH2+][C@H]1CC[C@H]1C 379371780 697849348 /nfs/dbraw/zinc/84/93/48/697849348.db2.gz UGVGZDOEMKFXNC-VWYCJHECSA-N 1 0 185.311 1.926 20 0 ADADRO CCCCC[N@@H+]1CCN(C)[C@H](C)C1 379373300 697849701 /nfs/dbraw/zinc/84/97/01/697849701.db2.gz LABPWNRLHIVXCO-LLVKDONJSA-N 1 0 184.327 1.813 20 0 ADADRO CCC[N@H+](CC)C[C@H](N)CC(F)F 379372752 697849754 /nfs/dbraw/zinc/84/97/54/697849754.db2.gz VWBOOTAPCQZQEX-MRVPVSSYSA-N 1 0 194.269 1.701 20 0 ADADRO 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/nfs/dbraw/zinc/85/04/13/697850413.db2.gz XNDJTDBARVWCBB-GARJFASQSA-N 1 0 185.311 1.782 20 0 ADADRO CC(C)[C@H](CCO)[NH2+][C@H]1CC[C@H]1C 379373750 697850421 /nfs/dbraw/zinc/85/04/21/697850421.db2.gz XNDJTDBARVWCBB-VWYCJHECSA-N 1 0 185.311 1.782 20 0 ADADRO CC[N@H+](Cn1cnnc1)C1CCC1 379375925 697851489 /nfs/dbraw/zinc/85/14/89/697851489.db2.gz RCOWJIRNPAGKCY-UHFFFAOYSA-N 1 0 180.255 1.110 20 0 ADADRO OCCCC1CC[NH+](CCF)CC1 379375891 697851545 /nfs/dbraw/zinc/85/15/45/697851545.db2.gz QYJLYCCXGWYNQO-UHFFFAOYSA-N 1 0 189.274 1.440 20 0 ADADRO CCNC(=[NH2+])NCCC1(C)CC1 379377093 697852822 /nfs/dbraw/zinc/85/28/22/697852822.db2.gz WFEUOUIOOQTLMJ-UHFFFAOYSA-N 1 0 169.272 1.310 20 0 ADADRO CC1(CC[NH2+]Cc2cnc[nH]2)CC1 379379243 697854884 /nfs/dbraw/zinc/85/48/84/697854884.db2.gz BLEKTYCSLKWJKF-UHFFFAOYSA-N 1 0 179.267 1.690 20 0 ADADRO CCCC[C@@H](C)[NH2+][C@H](CO)C1CC1 379380269 697855997 /nfs/dbraw/zinc/85/59/97/697855997.db2.gz DMXRDHOZQSTSKV-MWLCHTKSSA-N 1 0 185.311 1.926 20 0 ADADRO CCCCCC[NH2+][C@@H](CO)C1CC1 379379910 697856140 /nfs/dbraw/zinc/85/61/40/697856140.db2.gz BJXIJCGVEZSXRV-NSHDSACASA-N 1 0 185.311 1.927 20 0 ADADRO CC(C)C(N)=[NH+]OCc1ccon1 379380203 697856156 /nfs/dbraw/zinc/85/61/56/697856156.db2.gz BRWUHWXSQIXLJZ-UHFFFAOYSA-N 1 0 183.211 1.329 20 0 ADADRO c1coc(SCC[NH+]2CCCC2)n1 379380023 697856163 /nfs/dbraw/zinc/85/61/63/697856163.db2.gz BOHWORUJYSXAFB-UHFFFAOYSA-N 1 0 198.291 1.863 20 0 ADADRO CCCCCC[NH2+][C@H](CO)C1CC1 379379909 697856173 /nfs/dbraw/zinc/85/61/73/697856173.db2.gz BJXIJCGVEZSXRV-LLVKDONJSA-N 1 0 185.311 1.927 20 0 ADADRO CCCC[C@H](C)[NH2+][C@H](CO)C1CC1 379380267 697856202 /nfs/dbraw/zinc/85/62/02/697856202.db2.gz DMXRDHOZQSTSKV-GXSJLCMTSA-N 1 0 185.311 1.926 20 0 ADADRO CCCC[C@@H](C)[NH2+][C@@H](CO)C1CC1 379380268 697856217 /nfs/dbraw/zinc/85/62/17/697856217.db2.gz DMXRDHOZQSTSKV-KOLCDFICSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]C[C@](C)(O)C1CC1 379380502 697856473 /nfs/dbraw/zinc/85/64/73/697856473.db2.gz 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C[C@@H]1CC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 379380501 697856714 /nfs/dbraw/zinc/85/67/14/697856714.db2.gz BZBRQIYJMQVJJE-FBIMIBRVSA-N 1 0 183.295 1.536 20 0 ADADRO CCCC[C@H](C)[NH2+][C@@H](CO)C1CC1 379380270 697856736 /nfs/dbraw/zinc/85/67/36/697856736.db2.gz DMXRDHOZQSTSKV-ONGXEEELSA-N 1 0 185.311 1.926 20 0 ADADRO OC[C@@H]([NH2+]Cc1ccsc1)C1CC1 379380346 697856745 /nfs/dbraw/zinc/85/67/45/697856745.db2.gz DSKXKDWIAOSRSW-SNVBAGLBSA-N 1 0 197.303 1.609 20 0 ADADRO CN(C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 379380574 697856753 /nfs/dbraw/zinc/85/67/53/697856753.db2.gz FBPMOULHWLZAFU-WDEREUQCSA-N 1 0 182.311 1.326 20 0 ADADRO C[N@H+](CC1CC1)Cn1cc(Cl)cn1 379380757 697856921 /nfs/dbraw/zinc/85/69/21/697856921.db2.gz CHCZGTZZEMVDNB-UHFFFAOYSA-N 1 0 199.685 1.836 20 0 ADADRO C[C@H]1CC[C@H](C)C1[NH2+][C@H](C)CCO 379381353 697857472 /nfs/dbraw/zinc/85/74/72/697857472.db2.gz CYYJUCWOLFCYNQ-LPEHRKFASA-N 1 0 185.311 1.782 20 0 ADADRO OC[C@H]([NH2+]Cc1nccs1)C1CC1 379381902 697857488 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1 0 188.290 1.230 20 0 ADADRO COC[C@@H](C)[NH2+]C1CC(C(F)F)C1 379395373 697870992 /nfs/dbraw/zinc/87/09/92/697870992.db2.gz ZHDHDITXBMEORP-JECWYVHBSA-N 1 0 193.237 1.655 20 0 ADADRO CN(CCF)C[C@H]1CCC[N@H+](C)C1 379389779 697865376 /nfs/dbraw/zinc/86/53/76/697865376.db2.gz MHJQFCIFQLMIFA-JTQLQIEISA-N 1 0 188.290 1.230 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+][C@H](CCO)C1CC1 379391823 697867303 /nfs/dbraw/zinc/86/73/03/697867303.db2.gz QMJYBNMJAZVDAI-FBIMIBRVSA-N 1 0 183.295 1.536 20 0 ADADRO CC(C)C(N)=[NH+]OCc1nccs1 379391933 697867337 /nfs/dbraw/zinc/86/73/37/697867337.db2.gz QTYFQTNMZSEAMF-UHFFFAOYSA-N 1 0 199.279 1.798 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](CCO)C1CC1 379391825 697867368 /nfs/dbraw/zinc/86/73/68/697867368.db2.gz QMJYBNMJAZVDAI-MIMYLULJSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](CCO)C1CC1 379391824 697867425 /nfs/dbraw/zinc/86/74/25/697867425.db2.gz QMJYBNMJAZVDAI-IEBDPFPHSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CCO)C1CC1 379391822 697867440 /nfs/dbraw/zinc/86/74/40/697867440.db2.gz QMJYBNMJAZVDAI-DVVUODLYSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCC1 379393072 697868208 /nfs/dbraw/zinc/86/82/08/697868208.db2.gz TYAFHELWGZIRIT-UWVGGRQHSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+][C@H](CO)CC1CC1 379393052 697868231 /nfs/dbraw/zinc/86/82/31/697868231.db2.gz TWZQFOILEHECGM-DVVUODLYSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](CO)CC1CC1 379393054 697868259 /nfs/dbraw/zinc/86/82/59/697868259.db2.gz TWZQFOILEHECGM-IEBDPFPHSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCC1 379393073 697868290 /nfs/dbraw/zinc/86/82/90/697868290.db2.gz TYAFHELWGZIRIT-VHSXEESVSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CO)CC1CC1 379393055 697868295 /nfs/dbraw/zinc/86/82/95/697868295.db2.gz TWZQFOILEHECGM-MIMYLULJSA-N 1 0 183.295 1.536 20 0 ADADRO CCC(=O)OCCC[NH+]1CCCC1 379392488 697868365 /nfs/dbraw/zinc/86/83/65/697868365.db2.gz RZSMYYOACSFXEU-UHFFFAOYSA-N 1 0 185.267 1.426 20 0 ADADRO C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCC1 379393074 697868409 /nfs/dbraw/zinc/86/84/09/697868409.db2.gz TYAFHELWGZIRIT-ZJUUUORDSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+][C@@H](CO)CC1CC1 379393053 697868417 /nfs/dbraw/zinc/86/84/17/697868417.db2.gz TWZQFOILEHECGM-FBIMIBRVSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H](C[C@H]1CCOC1)[NH2+]C1CCC1 379393071 697868443 /nfs/dbraw/zinc/86/84/43/697868443.db2.gz TYAFHELWGZIRIT-NXEZZACHSA-N 1 0 183.295 1.944 20 0 ADADRO CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]1C 379394327 697869592 /nfs/dbraw/zinc/86/95/92/697869592.db2.gz XBGJCVALKYEHQQ-GARJFASQSA-N 1 0 185.311 1.639 20 0 ADADRO CC(C)[C@H](CO)C[NH2+][C@H]1CC[C@@H]1C 379394326 697869602 /nfs/dbraw/zinc/86/96/02/697869602.db2.gz XBGJCVALKYEHQQ-DCAQKATOSA-N 1 0 185.311 1.639 20 0 ADADRO CC(C)[C@H](CO)C[NH2+][C@H]1CC[C@H]1C 379394329 697869614 /nfs/dbraw/zinc/86/96/14/697869614.db2.gz XBGJCVALKYEHQQ-VWYCJHECSA-N 1 0 185.311 1.639 20 0 ADADRO CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]1C 379394328 697869617 /nfs/dbraw/zinc/86/96/17/697869617.db2.gz XBGJCVALKYEHQQ-OUAUKWLOSA-N 1 0 185.311 1.639 20 0 ADADRO CCC[NH+](CCC)Cn1cnnc1 379394970 697870318 /nfs/dbraw/zinc/87/03/18/697870318.db2.gz YKTJWGLGLSYOFD-UHFFFAOYSA-N 1 0 182.271 1.358 20 0 ADADRO CCC[N@H+](CC[N+](=O)[O-])CC1CC1 379395002 697870532 /nfs/dbraw/zinc/87/05/32/697870532.db2.gz YNFRIALXUJXMMQ-UHFFFAOYSA-N 1 0 186.255 1.385 20 0 ADADRO COC[C@H](C)[NH2+]C1CC(C(F)F)C1 379395374 697870917 /nfs/dbraw/zinc/87/09/17/697870917.db2.gz ZHDHDITXBMEORP-KKMMWDRVSA-N 1 0 193.237 1.655 20 0 ADADRO COCC[N@H+](C)C[C@@H]1CCC=CO1 379395624 697870946 /nfs/dbraw/zinc/87/09/46/697870946.db2.gz BRSNTIBHROKGQP-JTQLQIEISA-N 1 0 185.267 1.257 20 0 ADADRO COCC[N@H+](C)C[C@H]1CCC=CO1 379395625 697871045 /nfs/dbraw/zinc/87/10/45/697871045.db2.gz BRSNTIBHROKGQP-SNVBAGLBSA-N 1 0 185.267 1.257 20 0 ADADRO CCCC[N@H+](C)CN1CCCC1=O 379398654 697873402 /nfs/dbraw/zinc/87/34/02/697873402.db2.gz XLBJUMSPCNHJFZ-UHFFFAOYSA-N 1 0 184.283 1.298 20 0 ADADRO CCCC[NH2+]C(C)(C)CC(=O)OC 379398594 697873433 /nfs/dbraw/zinc/87/34/33/697873433.db2.gz WFIGLMBCEQPGMR-UHFFFAOYSA-N 1 0 187.283 1.718 20 0 ADADRO CC(C)C(N)=[NH+]OC[C@@H]1CCCO1 379399281 697874450 /nfs/dbraw/zinc/87/44/50/697874450.db2.gz GSEWWPCEFQZDPW-QMMMGPOBSA-N 1 0 186.255 1.320 20 0 ADADRO CC/C=C(\C)C(=O)NCC[NH+](C)C 379399351 697874479 /nfs/dbraw/zinc/87/44/79/697874479.db2.gz GXFPJAHTPFYSDD-RMKNXTFCSA-N 1 0 184.283 1.021 20 0 ADADRO CC(C)C(N)=[NH+]OC[C@H]1CCCO1 379399280 697874400 /nfs/dbraw/zinc/87/44/00/697874400.db2.gz GSEWWPCEFQZDPW-MRVPVSSYSA-N 1 0 186.255 1.320 20 0 ADADRO CC/C=C(/C)C(=O)NCC[NH+](C)C 379399352 697874649 /nfs/dbraw/zinc/87/46/49/697874649.db2.gz GXFPJAHTPFYSDD-TWGQIWQCSA-N 1 0 184.283 1.021 20 0 ADADRO CCCCCC[N@H+](C)CCC(N)=O 379399993 697875160 /nfs/dbraw/zinc/87/51/60/697875160.db2.gz HYWLWYLIHYJHMG-UHFFFAOYSA-N 1 0 186.299 1.374 20 0 ADADRO Cn1cnc(C[NH2+]CCC2CC2)c1 379401940 697876427 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187.283 1.132 20 0 ADADRO CC(C)(C)CC[NH2+][C@H](CO)C1CC1 379405708 697880689 /nfs/dbraw/zinc/88/06/89/697880689.db2.gz URZKCGGOGOCBDP-SNVBAGLBSA-N 1 0 185.311 1.783 20 0 ADADRO CCCC(N)=[NH+]OC[C@@H]1CCOC1 379406057 697880707 /nfs/dbraw/zinc/88/07/07/697880707.db2.gz VKVXGCVGLQHUJB-MRVPVSSYSA-N 1 0 186.255 1.321 20 0 ADADRO CCCC(N)=[NH+]OC[C@H]1CCOC1 379406058 697880763 /nfs/dbraw/zinc/88/07/63/697880763.db2.gz VKVXGCVGLQHUJB-QMMMGPOBSA-N 1 0 186.255 1.321 20 0 ADADRO CC(C)(C)CC[NH2+][C@@H](CO)C1CC1 379405707 697880822 /nfs/dbraw/zinc/88/08/22/697880822.db2.gz URZKCGGOGOCBDP-JTQLQIEISA-N 1 0 185.311 1.783 20 0 ADADRO COCC[C@H](C)[N@@H+]1CC[C@@H](OC)C1 379406038 697880943 /nfs/dbraw/zinc/88/09/43/697880943.db2.gz VJUXIRCBUJFCKB-VHSXEESVSA-N 1 0 187.283 1.132 20 0 ADADRO COC[C@@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1 379406549 697881247 /nfs/dbraw/zinc/88/12/47/697881247.db2.gz WOLVTODLSWPDJG-IEBDPFPHSA-N 1 0 183.295 1.800 20 0 ADADRO CCC(N)=[NH+]OCc1scnc1C 379406436 697881436 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/nfs/dbraw/zinc/93/29/01/697932901.db2.gz MKOQWJASTJLCBG-AATRIKPKSA-N 1 0 169.272 1.477 20 0 ADADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)C(N)=O 384960105 697932920 /nfs/dbraw/zinc/93/29/20/697932920.db2.gz SCUQXQFVOOPSSW-HTQZYQBOSA-N 1 0 186.299 1.275 20 0 ADADRO C[C@@H](CC(C)(C)C)[NH2+][C@H](C)C(N)=O 384960116 697932935 /nfs/dbraw/zinc/93/29/35/697932935.db2.gz SCUQXQFVOOPSSW-JGVFFNPUSA-N 1 0 186.299 1.275 20 0 ADADRO Cc1cnccc1CN(C)C[C@H](C)[NH3+] 385031189 697932962 /nfs/dbraw/zinc/93/29/62/697932962.db2.gz KUPCWPLVOBSWEC-JTQLQIEISA-N 1 0 193.294 1.169 20 0 ADADRO CC/C=C\CNC(=[NH2+])NCCC 385004404 697932997 /nfs/dbraw/zinc/93/29/97/697932997.db2.gz MKOQWJASTJLCBG-WAYWQWQTSA-N 1 0 169.272 1.477 20 0 ADADRO CC/C=C(\C)C(=O)N(C)C1CC([NH3+])C1 385147504 697933183 /nfs/dbraw/zinc/93/31/83/697933183.db2.gz JOHMVSPQDVHDRA-VMPITWQZSA-N 1 0 196.294 1.291 20 0 ADADRO CC/C=C/C[NH2+]Cc1cnccn1 385150823 697933214 /nfs/dbraw/zinc/93/32/14/697933214.db2.gz JZUAUEGEXAYWCE-ONEGZZNKSA-N 1 0 177.251 1.532 20 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CC/C=C/C[NH2+]C[C@@H]1CCCOC1 385265936 697934002 /nfs/dbraw/zinc/93/40/02/697934002.db2.gz ZEYALTRANONUFN-UFFNRZRYSA-N 1 0 183.295 1.969 20 0 ADADRO CC[NH2+]CC(=O)N(C)[C@H](C)C1(C)CC1 385399869 697934014 /nfs/dbraw/zinc/93/40/14/697934014.db2.gz LGXPYSHAEUQEPV-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO CC/C=C\C[NH2+]C[C@@H]1CCCOC1 385265923 697934022 /nfs/dbraw/zinc/93/40/22/697934022.db2.gz ZEYALTRANONUFN-BYCRGOAPSA-N 1 0 183.295 1.969 20 0 ADADRO CN(C/C=C\Cl)C1(C[NH3+])CCC1 385293089 697934109 /nfs/dbraw/zinc/93/41/09/697934109.db2.gz CUIXKTFNKVLAOV-UTCJRWHESA-N 1 0 188.702 1.552 20 0 ADADRO CC[NH2+]CC(=O)N(C)[C@@H](C)C1(C)CC1 385399870 697934163 /nfs/dbraw/zinc/93/41/63/697934163.db2.gz LGXPYSHAEUQEPV-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO CCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]21 385408726 697934194 /nfs/dbraw/zinc/93/41/94/697934194.db2.gz YMQVQICFYJNKLI-NEPJUHHUSA-N 1 0 196.338 1.860 20 0 ADADRO CSC(C)(C)CC[NH2+]CCO 385212288 697934266 /nfs/dbraw/zinc/93/42/66/697934266.db2.gz JJDLBBBJJKLSGG-UHFFFAOYSA-N 1 0 177.313 1.100 20 0 ADADRO CN(C/C=C/Cl)C1(C[NH3+])CCC1 385293090 697934299 /nfs/dbraw/zinc/93/42/99/697934299.db2.gz CUIXKTFNKVLAOV-ZZXKWVIFSA-N 1 0 188.702 1.552 20 0 ADADRO COCC[NH2+]CCC(C)(C)SC 385318139 697934312 /nfs/dbraw/zinc/93/43/12/697934312.db2.gz QAVCXYZGDPTLMQ-UHFFFAOYSA-N 1 0 191.340 1.754 20 0 ADADRO CC/C=C/C[NH2+]C[C@H]1CCCOC1 385265934 697934345 /nfs/dbraw/zinc/93/43/45/697934345.db2.gz ZEYALTRANONUFN-PGLGOXFNSA-N 1 0 183.295 1.969 20 0 ADADRO CSC(C)(C)CC[NH2+]C[C@H](C)O 385330888 697934353 /nfs/dbraw/zinc/93/43/53/697934353.db2.gz UORUAQXJLWJLBI-QMMMGPOBSA-N 1 0 191.340 1.489 20 0 ADADRO CSC(C)(C)CC[NH2+]CCCO 385333482 697934375 /nfs/dbraw/zinc/93/43/75/697934375.db2.gz VJMUMJVJQQDQLU-UHFFFAOYSA-N 1 0 191.340 1.490 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+]CCC(C)(C)CO 385910685 697934691 /nfs/dbraw/zinc/93/46/91/697934691.db2.gz QXQSSILWJMORKD-UWVGGRQHSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+]CCC(C)(C)CO 385910686 697934698 /nfs/dbraw/zinc/93/46/98/697934698.db2.gz QXQSSILWJMORKD-VHSXEESVSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCC(C)(C)CO 385910687 697934802 /nfs/dbraw/zinc/93/48/02/697934802.db2.gz QXQSSILWJMORKD-ZJUUUORDSA-N 1 0 185.311 1.783 20 0 ADADRO CCCNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)C 385541968 697934822 /nfs/dbraw/zinc/93/48/22/697934822.db2.gz LTPMXNJNHRHXKZ-NXEZZACHSA-N 1 0 197.326 1.945 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)CO 385910684 697934959 /nfs/dbraw/zinc/93/49/59/697934959.db2.gz QXQSSILWJMORKD-NXEZZACHSA-N 1 0 185.311 1.783 20 0 ADADRO CCCC[NH2+]CCC(C)(C)CO 385907006 697934962 /nfs/dbraw/zinc/93/49/62/697934962.db2.gz QCTPTGYUCHDHOJ-UHFFFAOYSA-N 1 0 173.300 1.785 20 0 ADADRO CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])NC(C)C 385602113 697934973 /nfs/dbraw/zinc/93/49/73/697934973.db2.gz YVQINAOELVLHCG-NXEZZACHSA-N 1 0 197.326 1.943 20 0 ADADRO CCNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)C 385597823 697935042 /nfs/dbraw/zinc/93/50/42/697935042.db2.gz XQVCTNJIGHFLKN-RKDXNWHRSA-N 1 0 183.299 1.555 20 0 ADADRO CCC(CC)CNC1=[NH+]CCCN1C 386409643 697936067 /nfs/dbraw/zinc/93/60/67/697936067.db2.gz IHKDPNZIIZYZFY-UHFFFAOYSA-N 1 0 197.326 1.704 20 0 ADADRO CCC[C@H](C[NH2+][C@H](C)CCO)OC 386507624 697936101 /nfs/dbraw/zinc/93/61/01/697936101.db2.gz WRDCXWCEMWMWPC-NXEZZACHSA-N 1 0 189.299 1.162 20 0 ADADRO CCC[C@H](C[NH2+][C@@H](C)CCO)OC 386507628 697936178 /nfs/dbraw/zinc/93/61/78/697936178.db2.gz WRDCXWCEMWMWPC-VHSXEESVSA-N 1 0 189.299 1.162 20 0 ADADRO CCC[C@@H](C[NH2+][C@@H](C)CCO)OC 386507627 697936292 /nfs/dbraw/zinc/93/62/92/697936292.db2.gz WRDCXWCEMWMWPC-UWVGGRQHSA-N 1 0 189.299 1.162 20 0 ADADRO CCC[C@@H](C[NH2+][C@H](C)CCO)OC 386507631 697936368 /nfs/dbraw/zinc/93/63/68/697936368.db2.gz WRDCXWCEMWMWPC-ZJUUUORDSA-N 1 0 189.299 1.162 20 0 ADADRO C[C@H](CO)SC[C@H]1CCC[N@@H+]1C 386635570 697936571 /nfs/dbraw/zinc/93/65/71/697936571.db2.gz NCMPZKGALJLCOH-RKDXNWHRSA-N 1 0 189.324 1.195 20 0 ADADRO C[C@@H](CO)SC[C@@H]1CCC[N@@H+]1C 386635568 697936585 /nfs/dbraw/zinc/93/65/85/697936585.db2.gz NCMPZKGALJLCOH-IUCAKERBSA-N 1 0 189.324 1.195 20 0 ADADRO C[C@H](CO)SC[C@@H]1CCC[N@@H+]1C 386635565 697936602 /nfs/dbraw/zinc/93/66/02/697936602.db2.gz NCMPZKGALJLCOH-BDAKNGLRSA-N 1 0 189.324 1.195 20 0 ADADRO C[C@@H](CO)SC[C@H]1CCC[N@@H+]1C 386635567 697936741 /nfs/dbraw/zinc/93/67/41/697936741.db2.gz NCMPZKGALJLCOH-DTWKUNHWSA-N 1 0 189.324 1.195 20 0 ADADRO C[NH2+]C[C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 387061218 697936993 /nfs/dbraw/zinc/93/69/93/697936993.db2.gz RSWOJHSBUPLZLP-BIIVOSGPSA-N 1 0 195.266 1.516 20 0 ADADRO C[NH2+]C[C@H](C)c1nc([C@H]2C[C@H]2C)no1 387061220 697937026 /nfs/dbraw/zinc/93/70/26/697937026.db2.gz RSWOJHSBUPLZLP-CSMHCCOUSA-N 1 0 195.266 1.516 20 0 ADADRO C[NH2+]C[C@H](C)c1nc(C(C)C)no1 387059820 697936989 /nfs/dbraw/zinc/93/69/89/697936989.db2.gz RLZLKOZKPHYOST-ZETCQYMHSA-N 1 0 183.255 1.516 20 0 ADADRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H](C)O 386870320 697937062 /nfs/dbraw/zinc/93/70/62/697937062.db2.gz 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1.534 20 0 ADADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H](C)O 386870319 697937164 /nfs/dbraw/zinc/93/71/64/697937164.db2.gz KSANEJSHLAGIJI-MXWKQRLJSA-N 1 0 199.294 1.428 20 0 ADADRO C[NH2+]C[C@H](C)c1nc(CC2CC2)no1 387035564 697937187 /nfs/dbraw/zinc/93/71/87/697937187.db2.gz MZLNHZLRCZUFRE-ZETCQYMHSA-N 1 0 195.266 1.345 20 0 ADADRO C[NH2+]C[C@@H](C)c1nc(C2CC2)no1 386982810 697937212 /nfs/dbraw/zinc/93/72/12/697937212.db2.gz CTDXFTIEBADOJG-ZCFIWIBFSA-N 1 0 181.239 1.270 20 0 ADADRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)[C@H](C)O 386830083 697937222 /nfs/dbraw/zinc/93/72/22/697937222.db2.gz HQSRSPBCJRXIRC-XFWSIPNHSA-N 1 0 171.284 1.534 20 0 ADADRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H](C)O 386870317 697937260 /nfs/dbraw/zinc/93/72/60/697937260.db2.gz KSANEJSHLAGIJI-AXFHLTTASA-N 1 0 199.294 1.428 20 0 ADADRO C[NH2+]C[C@H](C)c1nc(CC(C)C)no1 387039334 697937288 /nfs/dbraw/zinc/93/72/88/697937288.db2.gz NTEDQKNKZRIQPF-QMMMGPOBSA-N 1 0 197.282 1.591 20 0 ADADRO C[NH2+]C[C@H](C)c1nc([C@@H]2C[C@H]2C)no1 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198.310 1.419 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@H]([NH3+])CC1CC1 388890823 698001818 /nfs/dbraw/zinc/00/18/18/698001818.db2.gz LFMIYFBHMWTUAM-PSASIEDQSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@H]1CCCN1C[C@@H]([NH3+])CC(F)F 388900225 698002487 /nfs/dbraw/zinc/00/24/87/698002487.db2.gz NGOBTBSYFOXXSE-YUMQZZPRSA-N 1 0 192.253 1.453 20 0 ADADRO C[C@@H]1CCCN1C[C@H]([NH3+])CC(F)F 388900216 698002206 /nfs/dbraw/zinc/00/22/06/698002206.db2.gz NGOBTBSYFOXXSE-HTQZYQBOSA-N 1 0 192.253 1.453 20 0 ADADRO C[C@@H]1CCCN1C[C@@H]([NH3+])CC(F)F 388900222 698002333 /nfs/dbraw/zinc/00/23/33/698002333.db2.gz NGOBTBSYFOXXSE-SFYZADRCSA-N 1 0 192.253 1.453 20 0 ADADRO CCCOC(=O)[C@@H](C)[N@H+](C)CCC 388904746 698002482 /nfs/dbraw/zinc/00/24/82/698002482.db2.gz OCFNHDOKCGACKY-SECBINFHSA-N 1 0 187.283 1.670 20 0 ADADRO CSC[C@@H](C)[NH2+]Cc1cn(C)cn1 388910739 698002459 /nfs/dbraw/zinc/00/24/59/698002459.db2.gz PIAUTBITYVNNFA-MRVPVSSYSA-N 1 0 199.323 1.261 20 0 ADADRO CCCOC(=O)[C@H](C)[N@H+](C)CCC 388904748 698002531 /nfs/dbraw/zinc/00/25/31/698002531.db2.gz OCFNHDOKCGACKY-VIFPVBQESA-N 1 0 187.283 1.670 20 0 ADADRO CCCC[NH2+]Cc1nnc2n1CCC2 389219851 698004880 /nfs/dbraw/zinc/00/48/80/698004880.db2.gz MTPNTXOICBJBJM-UHFFFAOYSA-N 1 0 194.282 1.114 20 0 ADADRO C[N@@H+](CC1CC1)C[C@H](N)CC(F)F 388936256 698003397 /nfs/dbraw/zinc/00/33/97/698003397.db2.gz VTOHBHYOZHMWDO-MRVPVSSYSA-N 1 0 192.253 1.311 20 0 ADADRO CCC(N)=[NH+]OCc1ncc(C)s1 388936191 698003442 /nfs/dbraw/zinc/00/34/42/698003442.db2.gz VRDZEEMEFDKBGG-UHFFFAOYSA-N 1 0 199.279 1.860 20 0 ADADRO C[N@@H+](CC1CC1)C[C@@H](N)CC(F)F 388936258 698003454 /nfs/dbraw/zinc/00/34/54/698003454.db2.gz VTOHBHYOZHMWDO-QMMMGPOBSA-N 1 0 192.253 1.311 20 0 ADADRO CCOC(=O)/C=C\C[N@H+](C)CC(C)C 388968901 698003955 /nfs/dbraw/zinc/00/39/55/698003955.db2.gz ULBOMJNLBGXFRX-SREVYHEPSA-N 1 0 199.294 1.694 20 0 ADADRO C[NH2+]CCN(C)Cc1ccncc1C 388997967 698004003 /nfs/dbraw/zinc/00/40/03/698004003.db2.gz XISHXKNXAUZLCV-UHFFFAOYSA-N 1 0 193.294 1.041 20 0 ADADRO COC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)C)C1 389198246 698004608 /nfs/dbraw/zinc/00/46/08/698004608.db2.gz BUJGPFMARLQQPM-ZJUUUORDSA-N 1 0 199.294 1.574 20 0 ADADRO COCC1([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 389297305 698008182 /nfs/dbraw/zinc/00/81/82/698008182.db2.gz HCHLWEXMXAUEPL-MNOVXSKESA-N 1 0 195.306 1.944 20 0 ADADRO CCCNC(=[NH2+])NC[C@H]1CC=CCC1 389221266 698004898 /nfs/dbraw/zinc/00/48/98/698004898.db2.gz NJCINLBBXBECEX-JTQLQIEISA-N 1 0 195.310 1.867 20 0 ADADRO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]1C1CC1 389209540 698005013 /nfs/dbraw/zinc/00/50/13/698005013.db2.gz HZHQGFUIFSTHTH-IJLUTSLNSA-N 1 0 197.322 1.782 20 0 ADADRO CC[C@](C)(CO)[NH2+]Cc1cc(C)on1 389224206 698005027 /nfs/dbraw/zinc/00/50/27/698005027.db2.gz PALULFPMGDWMCW-SNVBAGLBSA-N 1 0 198.266 1.234 20 0 ADADRO CC(C)[C@@H](CO)[NH2+][C@H]1CC[C@@H]1C1CC1 389209539 698005101 /nfs/dbraw/zinc/00/51/01/698005101.db2.gz HZHQGFUIFSTHTH-GRYCIOLGSA-N 1 0 197.322 1.782 20 0 ADADRO CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]1C1CC1 389209541 698005104 /nfs/dbraw/zinc/00/51/04/698005104.db2.gz HZHQGFUIFSTHTH-QJPTWQEYSA-N 1 0 197.322 1.782 20 0 ADADRO CC[C@@](C)(CO)[NH2+]Cc1cc(C)on1 389224205 698005143 /nfs/dbraw/zinc/00/51/43/698005143.db2.gz PALULFPMGDWMCW-JTQLQIEISA-N 1 0 198.266 1.234 20 0 ADADRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCOC1 389217285 698005160 /nfs/dbraw/zinc/00/51/60/698005160.db2.gz LBJJZDUMMKWEFC-OUAUKWLOSA-N 1 0 199.294 1.180 20 0 ADADRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCOC1 389217281 698005183 /nfs/dbraw/zinc/00/51/83/698005183.db2.gz LBJJZDUMMKWEFC-GMTAPVOTSA-N 1 0 199.294 1.180 20 0 ADADRO CC(C)(C)C[NH2+]CCc1cnccn1 389222518 698005187 /nfs/dbraw/zinc/00/51/87/698005187.db2.gz NXURFNZBFFDYDE-UHFFFAOYSA-N 1 0 193.294 1.655 20 0 ADADRO COC(=O)CC(C)(C)[NH2+]CCC1CC1 389214912 698005191 /nfs/dbraw/zinc/00/51/91/698005191.db2.gz JZMHPKQLBVDQSW-UHFFFAOYSA-N 1 0 199.294 1.718 20 0 ADADRO CC(C)(O)CC[NH2+]C[C@@H]1CCC=CO1 389207825 698005204 /nfs/dbraw/zinc/00/52/04/698005204.db2.gz HIIFKOPOHCWVGB-JTQLQIEISA-N 1 0 199.294 1.430 20 0 ADADRO CCCNC(=[NH2+])NC[C@@H]1CC=CCC1 389221268 698005224 /nfs/dbraw/zinc/00/52/24/698005224.db2.gz NJCINLBBXBECEX-SNVBAGLBSA-N 1 0 195.310 1.867 20 0 ADADRO OCC[C@H]([NH2+][C@H]1C=CCCC1)C1CC1 389236952 698005436 /nfs/dbraw/zinc/00/54/36/698005436.db2.gz WMNQZKAWUZYGLB-RYUDHWBXSA-N 1 0 195.306 1.846 20 0 ADADRO OCC[C@H]([NH2+][C@@H]1C=CCCC1)C1CC1 389236944 698005548 /nfs/dbraw/zinc/00/55/48/698005548.db2.gz WMNQZKAWUZYGLB-NEPJUHHUSA-N 1 0 195.306 1.846 20 0 ADADRO c1c[nH]c(C[NH2+]CCOC2CCC2)n1 389231068 698005569 /nfs/dbraw/zinc/00/55/69/698005569.db2.gz TWZKMAYEWBWCSW-UHFFFAOYSA-N 1 0 195.266 1.068 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+]CCCC(=O)N(C)C 389225043 698005671 /nfs/dbraw/zinc/00/56/71/698005671.db2.gz PPIUTHSQYFVWLN-UWVGGRQHSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+]CCCC(=O)N(C)C 389225044 698005679 /nfs/dbraw/zinc/00/56/79/698005679.db2.gz PPIUTHSQYFVWLN-VHSXEESVSA-N 1 0 198.310 1.243 20 0 ADADRO CCCCC[C@@H](C)[NH2+]C1(C(N)=O)CC1 389228047 698005680 /nfs/dbraw/zinc/00/56/80/698005680.db2.gz ROTPCRUTSJFSKL-SECBINFHSA-N 1 0 198.310 1.563 20 0 ADADRO CCCCC[C@H](C)[NH2+]C1(C(N)=O)CC1 389228048 698005685 /nfs/dbraw/zinc/00/56/85/698005685.db2.gz ROTPCRUTSJFSKL-VIFPVBQESA-N 1 0 198.310 1.563 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCCC(=O)N(C)C 389225045 698005686 /nfs/dbraw/zinc/00/56/86/698005686.db2.gz PPIUTHSQYFVWLN-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO OCC[C@@H]([NH2+][C@@H]1C=CCCC1)C1CC1 389236957 698005687 /nfs/dbraw/zinc/00/56/87/698005687.db2.gz WMNQZKAWUZYGLB-VXGBXAGGSA-N 1 0 195.306 1.846 20 0 ADADRO C1CN(CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 389230551 698005688 /nfs/dbraw/zinc/00/56/88/698005688.db2.gz SXCWIJUFIBRPEF-RYUDHWBXSA-N 1 0 194.322 1.470 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CCCC(=O)N(C)C 389225042 698005697 /nfs/dbraw/zinc/00/56/97/698005697.db2.gz PPIUTHSQYFVWLN-NXEZZACHSA-N 1 0 198.310 1.243 20 0 ADADRO OCC[C@@H]([NH2+][C@H]1C=CCCC1)C1CC1 389236945 698005702 /nfs/dbraw/zinc/00/57/02/698005702.db2.gz WMNQZKAWUZYGLB-NWDGAFQWSA-N 1 0 195.306 1.846 20 0 ADADRO C1CN(CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 389230545 698005706 /nfs/dbraw/zinc/00/57/06/698005706.db2.gz SXCWIJUFIBRPEF-NEPJUHHUSA-N 1 0 194.322 1.470 20 0 ADADRO C1CN(CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 389230546 698005742 /nfs/dbraw/zinc/00/57/42/698005742.db2.gz SXCWIJUFIBRPEF-NWDGAFQWSA-N 1 0 194.322 1.470 20 0 ADADRO C1CN(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 389230562 698005787 /nfs/dbraw/zinc/00/57/87/698005787.db2.gz SXCWIJUFIBRPEF-VXGBXAGGSA-N 1 0 194.322 1.470 20 0 ADADRO CCCNC(=[NH2+])NCc1occc1C 389314054 698009046 /nfs/dbraw/zinc/00/90/46/698009046.db2.gz POWGNNGSAFLWOT-UHFFFAOYSA-N 1 0 195.266 1.612 20 0 ADADRO c1cc(C[NH2+][C@H]2CC[C@@H]2C2CC2)n[nH]1 389246915 698006042 /nfs/dbraw/zinc/00/60/42/698006042.db2.gz BTKOPSMAXMXALE-MNOVXSKESA-N 1 0 191.278 1.688 20 0 ADADRO CC[C@H]([NH2+]Cc1cnn(C)n1)C1CC1 389246124 698006062 /nfs/dbraw/zinc/00/60/62/698006062.db2.gz AZPLNQBMHZSAOF-JTQLQIEISA-N 1 0 194.282 1.093 20 0 ADADRO c1cc(C[NH2+][C@H]2CC[C@H]2C2CC2)n[nH]1 389246916 698006072 /nfs/dbraw/zinc/00/60/72/698006072.db2.gz BTKOPSMAXMXALE-QWRGUYRKSA-N 1 0 191.278 1.688 20 0 ADADRO CC[C@@H]([NH2+]Cc1cnn(C)n1)C1CC1 389246129 698006101 /nfs/dbraw/zinc/00/61/01/698006101.db2.gz AZPLNQBMHZSAOF-SNVBAGLBSA-N 1 0 194.282 1.093 20 0 ADADRO c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)n[nH]1 389246914 698006162 /nfs/dbraw/zinc/00/61/62/698006162.db2.gz BTKOPSMAXMXALE-GHMZBOCLSA-N 1 0 191.278 1.688 20 0 ADADRO c1cc(C[NH2+][C@@H]2CC[C@H]2C2CC2)n[nH]1 389246918 698006184 /nfs/dbraw/zinc/00/61/84/698006184.db2.gz BTKOPSMAXMXALE-WDEREUQCSA-N 1 0 191.278 1.688 20 0 ADADRO COC1CC([NH2+]CCOC2CCC2)C1 389244993 698006193 /nfs/dbraw/zinc/00/61/93/698006193.db2.gz AQDZHARGLBBXJB-UHFFFAOYSA-N 1 0 199.294 1.323 20 0 ADADRO Cn1cnc(C[NH2+]C(C)(C)C2CC2)c1 389241738 698006195 /nfs/dbraw/zinc/00/61/95/698006195.db2.gz YMCGHXOXDFOCER-UHFFFAOYSA-N 1 0 193.294 1.698 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 389259115 698006280 /nfs/dbraw/zinc/00/62/80/698006280.db2.gz HEIHYXLKISUSEZ-GUBZILKMSA-N 1 0 198.310 1.432 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+]CCc1cncn1C 389264973 698006297 /nfs/dbraw/zinc/00/62/97/698006297.db2.gz JDMOJNKEKQXNPT-ONGXEEELSA-N 1 0 193.294 1.351 20 0 ADADRO C[C@H](O)CCC[NH2+][C@@H](C)c1ncc[nH]1 389262820 698006307 /nfs/dbraw/zinc/00/63/07/698006307.db2.gz HHTXRYWXBOVORQ-IUCAKERBSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](CCO)[NH2+][C@H](C)c1ncc[nH]1 389255811 698006315 /nfs/dbraw/zinc/00/63/15/698006315.db2.gz GDGOICYZRKEEIQ-RKDXNWHRSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 389259113 698006328 /nfs/dbraw/zinc/00/63/28/698006328.db2.gz HEIHYXLKISUSEZ-AEJSXWLSSA-N 1 0 198.310 1.432 20 0 ADADRO CC[C@H](O)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 389264011 698006343 /nfs/dbraw/zinc/00/63/43/698006343.db2.gz HSWUBWFAWRWMRU-QJPTWQEYSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H](O)CC[NH2+][C@@H]1CC[C@H]1C1CC1 389264012 698006359 /nfs/dbraw/zinc/00/63/59/698006359.db2.gz HSWUBWFAWRWMRU-SDDRHHMPSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H](CCO)[NH2+][C@H](C)c1ncc[nH]1 389255570 698006449 /nfs/dbraw/zinc/00/64/49/698006449.db2.gz GDGOICYZRKEEIQ-BDAKNGLRSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](O)CC[NH2+][C@H]1CC[C@@H]1C1CC1 389264014 698006469 /nfs/dbraw/zinc/00/64/69/698006469.db2.gz HSWUBWFAWRWMRU-TUAOUCFPSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CCc1cncn1C 389264972 698006492 /nfs/dbraw/zinc/00/64/92/698006492.db2.gz JDMOJNKEKQXNPT-MWLCHTKSSA-N 1 0 193.294 1.351 20 0 ADADRO C[C@@H](O)CCC[NH2+][C@H](C)c1ncc[nH]1 389262821 698006498 /nfs/dbraw/zinc/00/64/98/698006498.db2.gz HHTXRYWXBOVORQ-RKDXNWHRSA-N 1 0 197.282 1.221 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCc1cncn1C 389264971 698006528 /nfs/dbraw/zinc/00/65/28/698006528.db2.gz JDMOJNKEKQXNPT-KOLCDFICSA-N 1 0 193.294 1.351 20 0 ADADRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ncc[nH]1 389255810 698006559 /nfs/dbraw/zinc/00/65/59/698006559.db2.gz GDGOICYZRKEEIQ-IUCAKERBSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 389259122 698006607 /nfs/dbraw/zinc/00/66/07/698006607.db2.gz HEIHYXLKISUSEZ-LPEHRKFASA-N 1 0 198.310 1.432 20 0 ADADRO C[C@H](O)CCC[NH2+][C@H](C)c1ncc[nH]1 389262819 698006615 /nfs/dbraw/zinc/00/66/15/698006615.db2.gz HHTXRYWXBOVORQ-DTWKUNHWSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](C)[NH2+][C@H](C)C[C@H]1CCC(=O)N1 389259116 698006624 /nfs/dbraw/zinc/00/66/24/698006624.db2.gz HEIHYXLKISUSEZ-IVZWLZJFSA-N 1 0 198.310 1.432 20 0 ADADRO C[C@H]([NH2+]CCC[C@@H](C)O)c1ncc[nH]1 389262818 698006645 /nfs/dbraw/zinc/00/66/45/698006645.db2.gz HHTXRYWXBOVORQ-BDAKNGLRSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](CCO)[NH2+][C@@H](C)c1ncc[nH]1 389255809 698006728 /nfs/dbraw/zinc/00/67/28/698006728.db2.gz GDGOICYZRKEEIQ-DTWKUNHWSA-N 1 0 197.282 1.221 20 0 ADADRO CC[C@H](O)CC[NH2+][C@H]1CC[C@H]1C1CC1 389264013 698006733 /nfs/dbraw/zinc/00/67/33/698006733.db2.gz HSWUBWFAWRWMRU-SRVKXCTJSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+]CCc1cncn1C 389264970 698006736 /nfs/dbraw/zinc/00/67/36/698006736.db2.gz JDMOJNKEKQXNPT-GXSJLCMTSA-N 1 0 193.294 1.351 20 0 ADADRO CC(C)C(=O)NCC[NH2+][C@H]1CC[C@H]1C 389284191 698006959 /nfs/dbraw/zinc/00/69/59/698006959.db2.gz UHJYNWPRYKVZSF-ZJUUUORDSA-N 1 0 198.310 1.147 20 0 ADADRO CCCC[NH2+][C@H](C)Cc1cnn(C)c1 389274111 698006990 /nfs/dbraw/zinc/00/69/90/698006990.db2.gz NKVYSZQNRKXUMR-SNVBAGLBSA-N 1 0 195.310 1.741 20 0 ADADRO CC(C)C(=O)NCC[NH2+][C@@H]1CC[C@H]1C 389284188 698007071 /nfs/dbraw/zinc/00/70/71/698007071.db2.gz UHJYNWPRYKVZSF-NXEZZACHSA-N 1 0 198.310 1.147 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCN1CCCCC1 389280015 698007167 /nfs/dbraw/zinc/00/71/67/698007167.db2.gz RGPASMQNZRFXHD-NEPJUHHUSA-N 1 0 196.338 1.860 20 0 ADADRO CCCC[NH2+][C@@H](C)Cc1cnn(C)c1 389274106 698007189 /nfs/dbraw/zinc/00/71/89/698007189.db2.gz NKVYSZQNRKXUMR-JTQLQIEISA-N 1 0 195.310 1.741 20 0 ADADRO CC(C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]1C 389284190 698007123 /nfs/dbraw/zinc/00/71/23/698007123.db2.gz UHJYNWPRYKVZSF-VHSXEESVSA-N 1 0 198.310 1.147 20 0 ADADRO CC[C@H](C)[C@H]([NH2+]CC1CCC1)C(N)=O 389269304 698007229 /nfs/dbraw/zinc/00/72/29/698007229.db2.gz KYRHPOGCULEKPR-WPRPVWTQSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)C(=O)NCC[NH2+][C@H]1CC[C@@H]1C 389284189 698007233 /nfs/dbraw/zinc/00/72/33/698007233.db2.gz UHJYNWPRYKVZSF-UWVGGRQHSA-N 1 0 198.310 1.147 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+]CCN1CCCCC1 389280016 698007334 /nfs/dbraw/zinc/00/73/34/698007334.db2.gz RGPASMQNZRFXHD-NWDGAFQWSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+]CCN1CCCCC1 389280017 698007350 /nfs/dbraw/zinc/00/73/50/698007350.db2.gz RGPASMQNZRFXHD-RYUDHWBXSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CCN1CCCCC1 389280018 698007354 /nfs/dbraw/zinc/00/73/54/698007354.db2.gz RGPASMQNZRFXHD-VXGBXAGGSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1 389295939 698007583 /nfs/dbraw/zinc/00/75/83/698007583.db2.gz GIHOXHVJICGOKL-GAIPPQHRSA-N 1 0 197.322 1.924 20 0 ADADRO CCCC[NH2+]Cc1cnccc1OC 389295233 698007592 /nfs/dbraw/zinc/00/75/92/698007592.db2.gz FXQJPPXTZQHXRK-UHFFFAOYSA-N 1 0 194.278 1.980 20 0 ADADRO CC1(C)CCC[C@@H]1[NH2+][C@H](CO)C1CC1 389295505 698007611 /nfs/dbraw/zinc/00/76/11/698007611.db2.gz GBMFQURGRVINPW-MNOVXSKESA-N 1 0 197.322 1.926 20 0 ADADRO CCC1(C[NH2+]Cc2cn(C)cn2)CC1 389293690 698007640 /nfs/dbraw/zinc/00/76/40/698007640.db2.gz DWAARGPUFQJBKL-UHFFFAOYSA-N 1 0 193.294 1.700 20 0 ADADRO CC1(C)CCC[C@@H]1[NH2+][C@@H](CO)C1CC1 389295506 698007666 /nfs/dbraw/zinc/00/76/66/698007666.db2.gz GBMFQURGRVINPW-QWRGUYRKSA-N 1 0 197.322 1.926 20 0 ADADRO CC1(C)CCC[C@H]1[NH2+][C@H](CO)C1CC1 389295504 698007760 /nfs/dbraw/zinc/00/77/60/698007760.db2.gz GBMFQURGRVINPW-GHMZBOCLSA-N 1 0 197.322 1.926 20 0 ADADRO CC1(C)CCC[C@H]1[NH2+][C@@H](CO)C1CC1 389295507 698007783 /nfs/dbraw/zinc/00/77/83/698007783.db2.gz GBMFQURGRVINPW-WDEREUQCSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CO)CC1CCC1 389295188 698007797 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/nfs/dbraw/zinc/00/85/49/698008549.db2.gz LEHMUIIXHSSTLJ-MNOVXSKESA-N 1 0 195.306 1.680 20 0 ADADRO C1C[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)CO1 389324741 698008813 /nfs/dbraw/zinc/00/88/13/698008813.db2.gz SOSGTLRJNUTSEL-USWWRNFRSA-N 1 0 195.306 1.801 20 0 ADADRO C1C[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)CO1 389324738 698008819 /nfs/dbraw/zinc/00/88/19/698008819.db2.gz SOSGTLRJNUTSEL-ADEWGFFLSA-N 1 0 195.306 1.801 20 0 ADADRO C1C[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)CO1 389324743 698008851 /nfs/dbraw/zinc/00/88/51/698008851.db2.gz SOSGTLRJNUTSEL-YUSALJHKSA-N 1 0 195.306 1.801 20 0 ADADRO OC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 389332275 698008857 /nfs/dbraw/zinc/00/88/57/698008857.db2.gz VOAUJNNQVUOQMA-ZYHUDNBSSA-N 1 0 195.306 1.703 20 0 ADADRO CCC(C)(C)CC(=O)N[C@@H](C)C[NH3+] 389315013 698008862 /nfs/dbraw/zinc/00/88/62/698008862.db2.gz PVPFZHYWQJHWSA-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO CCc1cc(C[NH2+]C[C@H]2C[C@H]2C)[nH]n1 389330815 698008924 /nfs/dbraw/zinc/00/89/24/698008924.db2.gz 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/nfs/dbraw/zinc/00/97/14/698009714.db2.gz SGHDAUYJPNWELJ-MNOVXSKESA-N 1 0 192.262 1.953 20 0 ADADRO CCC(CC)NC(=O)C[NH+]1CCCC1 389364442 698009745 /nfs/dbraw/zinc/00/97/45/698009745.db2.gz UNBSONAPBMAANW-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO C[C@H]1CC[C@@H](CC(=O)N[C@@H](C)C[NH3+])C1 389643138 698010072 /nfs/dbraw/zinc/01/00/72/698010072.db2.gz RJOFQJDXGOPCJE-LPEHRKFASA-N 1 0 198.310 1.276 20 0 ADADRO C/C=C(/C)C(=O)NC(CC)(CC)C[NH3+] 389734489 698010252 /nfs/dbraw/zinc/01/02/52/698010252.db2.gz UCCKPDGAIYGHMN-UITAMQMPSA-N 1 0 198.310 1.586 20 0 ADADRO C[C@@H](CC(=O)N[C@H](C)CC[NH3+])C1CC1 389615975 698010380 /nfs/dbraw/zinc/01/03/80/698010380.db2.gz GNNSTGNNMHFHOB-DTWKUNHWSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@@H](C[NH3+])NC(=O)C[C@H]1CC[C@@H](C)C1 389643139 698010292 /nfs/dbraw/zinc/01/02/92/698010292.db2.gz RJOFQJDXGOPCJE-UTLUCORTSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@@H](CC(=O)N(C)CCC[NH3+])C1CC1 389599826 698010304 /nfs/dbraw/zinc/01/03/04/698010304.db2.gz 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XLOHMAZVSBYXBE-LLVKDONJSA-N 1 0 182.311 1.600 20 0 ADADRO C[N@H+](CCCC1CC1)[C@H](CN)C1CC1 394469791 698030596 /nfs/dbraw/zinc/03/05/96/698030596.db2.gz BLKLDSGARZXVAH-GFCCVEGCSA-N 1 0 196.338 1.846 20 0 ADADRO CC[C@H](CO)[NH2+]CCCC1CC1 394482157 698030791 /nfs/dbraw/zinc/03/07/91/698030791.db2.gz FDCUOGDMDKICMY-SNVBAGLBSA-N 1 0 171.284 1.537 20 0 ADADRO C[C@@H](CN)[N@H+](C)CCCC1CC1 394488479 698030804 /nfs/dbraw/zinc/03/08/04/698030804.db2.gz IWYHPSPFBGIFIO-VIFPVBQESA-N 1 0 170.300 1.456 20 0 ADADRO C[C@@H]1C[NH+](CCCC2CC2)C[C@@H](C)N1 394482470 698030827 /nfs/dbraw/zinc/03/08/27/698030827.db2.gz UHQICMOYPRBGKC-GHMZBOCLSA-N 1 0 196.338 1.859 20 0 ADADRO CC[N@H+](CCN)CCCC1CC1 394438097 698030872 /nfs/dbraw/zinc/03/08/72/698030872.db2.gz IZVVGBOZBRUBLA-UHFFFAOYSA-N 1 0 170.300 1.457 20 0 ADADRO C[N@H+](CCCC1CC1)[C@@H](CN)C1CC1 394469793 698030917 /nfs/dbraw/zinc/03/09/17/698030917.db2.gz BLKLDSGARZXVAH-LBPRGKRZSA-N 1 0 196.338 1.846 20 0 ADADRO CC[C@H](C)CC[NH2+]Cc1cnc[nH]1 394440257 698030929 /nfs/dbraw/zinc/03/09/29/698030929.db2.gz CSZHLAAPROFGBI-VIFPVBQESA-N 1 0 181.283 1.936 20 0 ADADRO CCN(CCCC1CC1)[C@H]1CC[NH2+]C1 394502183 698030956 /nfs/dbraw/zinc/03/09/56/698030956.db2.gz OFPRWUYZEKLOTJ-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@@H]1NCC[N@H+](CCCC2CC2)[C@H]1C 394509039 698030961 /nfs/dbraw/zinc/03/09/61/698030961.db2.gz XWMIBVOPQGNZRZ-QWRGUYRKSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H]1[C@@H](C)NCC[N@@H+]1CCCC1CC1 394509036 698030974 /nfs/dbraw/zinc/03/09/74/698030974.db2.gz XWMIBVOPQGNZRZ-MNOVXSKESA-N 1 0 196.338 1.859 20 0 ADADRO C[N@H+](CCCC1CC1)C1(CN)CCC1 394506564 698030994 /nfs/dbraw/zinc/03/09/94/698030994.db2.gz WBEXDEKAFPVHMN-UHFFFAOYSA-N 1 0 196.338 1.990 20 0 ADADRO C[C@H]1C[NH+](CCCC2CC2)C[C@H](C)N1 394482472 698031008 /nfs/dbraw/zinc/03/10/08/698031008.db2.gz UHQICMOYPRBGKC-QWRGUYRKSA-N 1 0 196.338 1.859 20 0 ADADRO CN(CC[NH3+])CCCC1CC1 394481910 698031034 /nfs/dbraw/zinc/03/10/34/698031034.db2.gz LTFXWXYDRZALRD-UHFFFAOYSA-N 1 0 156.273 1.067 20 0 ADADRO CC[C@@H](C)CC[NH2+]Cc1cnc[nH]1 394440256 698031072 /nfs/dbraw/zinc/03/10/72/698031072.db2.gz CSZHLAAPROFGBI-SECBINFHSA-N 1 0 181.283 1.936 20 0 ADADRO CCN(CCCC1CC1)[C@@H]1CC[NH2+]C1 394502182 698031078 /nfs/dbraw/zinc/03/10/78/698031078.db2.gz OFPRWUYZEKLOTJ-GFCCVEGCSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@H]1NCC[N@H+](CCCC2CC2)[C@@H]1C 394509035 698031096 /nfs/dbraw/zinc/03/10/96/698031096.db2.gz XWMIBVOPQGNZRZ-GHMZBOCLSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H](CN)[N@H+](C)CCCC1CC1 394488477 698031109 /nfs/dbraw/zinc/03/11/09/698031109.db2.gz IWYHPSPFBGIFIO-SECBINFHSA-N 1 0 170.300 1.456 20 0 ADADRO CN(CCCC1CC1)C1C[NH2+]C1 394469362 698031125 /nfs/dbraw/zinc/03/11/25/698031125.db2.gz DOCWTAKKLPHEPA-UHFFFAOYSA-N 1 0 168.284 1.080 20 0 ADADRO C(CC1CC1)CN1CC[C@@H]2C[NH2+]C[C@@H]21 394502778 698031146 /nfs/dbraw/zinc/03/11/46/698031146.db2.gz RQFUFEGYWWZUES-NEPJUHHUSA-N 1 0 194.322 1.470 20 0 ADADRO C[NH2+]C[C@H]1CCCN1CCCC1CC1 394501081 698031162 /nfs/dbraw/zinc/03/11/62/698031162.db2.gz NKEJCPMZJHNMRF-GFCCVEGCSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+]C[C@@H]1CCCN1CCCC1CC1 394501083 698031177 /nfs/dbraw/zinc/03/11/77/698031177.db2.gz NKEJCPMZJHNMRF-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+]CCN(C)C[C@@H]1CCCC[C@H]1C 394792193 698031379 /nfs/dbraw/zinc/03/13/79/698031379.db2.gz NKVFIMHPHFTGLO-NEPJUHHUSA-N 1 0 198.354 1.964 20 0 ADADRO CC(C)[C@@H](CO)[NH2+]CCCC1CC1 394583288 698031488 /nfs/dbraw/zinc/03/14/88/698031488.db2.gz BEENLAJDYSEDGB-LLVKDONJSA-N 1 0 185.311 1.783 20 0 ADADRO CC(C)(CC(N)=O)[NH2+]CCCC1CC1 394511934 698031597 /nfs/dbraw/zinc/03/15/97/698031597.db2.gz ZLTBTVZNCJYGEE-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO C[NH2+]CCN(C)C[C@H]1CCCC[C@H]1C 394792196 698031600 /nfs/dbraw/zinc/03/16/00/698031600.db2.gz NKVFIMHPHFTGLO-VXGBXAGGSA-N 1 0 198.354 1.964 20 0 ADADRO NC[C@H]1CCCC[N@@H+]1CCCC1CC1 394544075 698031618 /nfs/dbraw/zinc/03/16/18/698031618.db2.gz ZRVPABXCXHUKEE-GFCCVEGCSA-N 1 0 196.338 1.990 20 0 ADADRO C[NH2+]CCN(C)C[C@H]1CCCC[C@@H]1C 394792194 698031626 /nfs/dbraw/zinc/03/16/26/698031626.db2.gz NKVFIMHPHFTGLO-NWDGAFQWSA-N 1 0 198.354 1.964 20 0 ADADRO C[C@@H]1NCC[N@H+](CCCC2CC2)[C@@H]1C 394509040 698031688 /nfs/dbraw/zinc/03/16/88/698031688.db2.gz XWMIBVOPQGNZRZ-WDEREUQCSA-N 1 0 196.338 1.859 20 0 ADADRO NC[C@@H]1CCCC[N@@H+]1CCCC1CC1 394544077 698031749 /nfs/dbraw/zinc/03/17/49/698031749.db2.gz ZRVPABXCXHUKEE-LBPRGKRZSA-N 1 0 196.338 1.990 20 0 ADADRO C[NH2+]CCN(C)C[C@@H]1CCCC[C@@H]1C 394792195 698031780 /nfs/dbraw/zinc/03/17/80/698031780.db2.gz NKVFIMHPHFTGLO-RYUDHWBXSA-N 1 0 198.354 1.964 20 0 ADADRO CC1CC(NC(=O)[C@@H](C)[NH2+]C2CC2)C1 394974910 698032110 /nfs/dbraw/zinc/03/21/10/698032110.db2.gz ZWYAGYUZFUNRKF-CCNFQMFXSA-N 1 0 196.294 1.042 20 0 ADADRO C[C@H](CO)[N@H+](C)CC1CC(F)(F)C1 394941495 698032221 /nfs/dbraw/zinc/03/22/21/698032221.db2.gz GEQBFIHOPSGHTH-SSDOTTSWSA-N 1 0 193.237 1.344 20 0 ADADRO CCC/C=C\C(=O)N1CC[NH2+]C[C@H]1C 394933270 698032226 /nfs/dbraw/zinc/03/22/26/698032226.db2.gz HSXDKXBWJSQALO-WWQCOOJYSA-N 1 0 196.294 1.163 20 0 ADADRO CCC/C=C\C(=O)N1CC[NH2+]C[C@@H]1C 394933269 698032255 /nfs/dbraw/zinc/03/22/55/698032255.db2.gz HSXDKXBWJSQALO-OMMCCPJFSA-N 1 0 196.294 1.163 20 0 ADADRO C[C@@H]([N@H+](C)C/C=C/Cl)C(C)(C)O 394955012 698032307 /nfs/dbraw/zinc/03/23/07/698032307.db2.gz MONLQXFOSXSBPU-HQZHTGGTSA-N 1 0 191.702 1.830 20 0 ADADRO CC1CC(NC(=O)[C@H](C)[NH2+]C2CC2)C1 394974911 698032354 /nfs/dbraw/zinc/03/23/54/698032354.db2.gz ZWYAGYUZFUNRKF-ZCUBBSJVSA-N 1 0 196.294 1.042 20 0 ADADRO CC[C@@H](CO)[NH2+]CC1CC(F)(F)C1 394794004 698032360 /nfs/dbraw/zinc/03/23/60/698032360.db2.gz OWIHXSZDNPXGQL-QMMMGPOBSA-N 1 0 193.237 1.392 20 0 ADADRO CC[C@H](CO)[NH2+]CC1CC(F)(F)C1 394794003 698032373 /nfs/dbraw/zinc/03/23/73/698032373.db2.gz OWIHXSZDNPXGQL-MRVPVSSYSA-N 1 0 193.237 1.392 20 0 ADADRO CCN(C(=O)[C@@H](C)[NH2+]C1CC1)C(C)C 394915289 698032443 /nfs/dbraw/zinc/03/24/43/698032443.db2.gz YKDOENMKVSKAMN-SECBINFHSA-N 1 0 198.310 1.384 20 0 ADADRO C[C@H]([N@H+](C)C/C=C/Cl)C(C)(C)O 394955011 698032466 /nfs/dbraw/zinc/03/24/66/698032466.db2.gz MONLQXFOSXSBPU-GJIOHYHPSA-N 1 0 191.702 1.830 20 0 ADADRO C[C@@H]([N@H+](C)C/C=C\Cl)C(C)(C)O 394955013 698032527 /nfs/dbraw/zinc/03/25/27/698032527.db2.gz MONLQXFOSXSBPU-RPSMYOMKSA-N 1 0 191.702 1.830 20 0 ADADRO CCN(C(=O)[C@H](C)[NH2+]C1CC1)C(C)C 394915297 698032537 /nfs/dbraw/zinc/03/25/37/698032537.db2.gz YKDOENMKVSKAMN-VIFPVBQESA-N 1 0 198.310 1.384 20 0 ADADRO C[C@H]([N@H+](C)C/C=C\Cl)C(C)(C)O 394955014 698032574 /nfs/dbraw/zinc/03/25/74/698032574.db2.gz MONLQXFOSXSBPU-SLGIHZDVSA-N 1 0 191.702 1.830 20 0 ADADRO CCC/C=C\C(=O)N1CCC([NH3+])CC1 394909249 698032603 /nfs/dbraw/zinc/03/26/03/698032603.db2.gz AQXFWFAYCFAKQP-PLNGDYQASA-N 1 0 196.294 1.292 20 0 ADADRO CC/C=C\C[NH2+]Cc1cc(C)nn1C 395069685 698032785 /nfs/dbraw/zinc/03/27/85/698032785.db2.gz RDVLZHPEGOTBFR-WAYWQWQTSA-N 1 0 193.294 1.784 20 0 ADADRO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)[C@@H](C)O1 395010155 698032797 /nfs/dbraw/zinc/03/27/97/698032797.db2.gz TYNPNHMBUDALPO-CJDRWTNCSA-N 1 0 189.686 1.894 20 0 ADADRO CC/C=C/CNC(=[NH2+])NC(C)C 395124552 698032810 /nfs/dbraw/zinc/03/28/10/698032810.db2.gz ZTGAYCUEPBVUGA-AATRIKPKSA-N 1 0 169.272 1.475 20 0 ADADRO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C/C=C\Cl 395010156 698032942 /nfs/dbraw/zinc/03/29/42/698032942.db2.gz TYNPNHMBUDALPO-INBJPNOCSA-N 1 0 189.686 1.894 20 0 ADADRO CC/C=C/C[NH2+]Cc1cc(C)nn1C 395069683 698033072 /nfs/dbraw/zinc/03/30/72/698033072.db2.gz RDVLZHPEGOTBFR-AATRIKPKSA-N 1 0 193.294 1.784 20 0 ADADRO CC/C=C\CNC(=[NH2+])NC(C)C 395124557 698033195 /nfs/dbraw/zinc/03/31/95/698033195.db2.gz ZTGAYCUEPBVUGA-WAYWQWQTSA-N 1 0 169.272 1.475 20 0 ADADRO CCC(CC)c1noc(CC[NH3+])n1 395177516 698033492 /nfs/dbraw/zinc/03/34/92/698033492.db2.gz CPVWSSMZRNJEGX-UHFFFAOYSA-N 1 0 183.255 1.474 20 0 ADADRO CCC(CC)c1noc(CC[NH2+]C)n1 395180085 698033720 /nfs/dbraw/zinc/03/37/20/698033720.db2.gz DQWXWTYPDZOXOP-UHFFFAOYSA-N 1 0 197.282 1.735 20 0 ADADRO CCC(CC)c1noc(CCC[NH3+])n1 395210013 698033880 /nfs/dbraw/zinc/03/38/80/698033880.db2.gz JTGJLRIRIUXPNQ-UHFFFAOYSA-N 1 0 197.282 1.865 20 0 ADADRO C[N@@H+]1CCC[C@H]1CSCCCO 395503953 698034210 /nfs/dbraw/zinc/03/42/10/698034210.db2.gz SSEGEBYYPASKSS-VIFPVBQESA-N 1 0 189.324 1.196 20 0 ADADRO CC(C)CCCN1CC[C@@H]2C[NH2+]C[C@@H]21 395356297 698034245 /nfs/dbraw/zinc/03/42/45/698034245.db2.gz HLZHQZITLAYHMF-NEPJUHHUSA-N 1 0 196.338 1.716 20 0 ADADRO C[N@@H+]1CCC[C@@H]1CSCCCO 395503952 698034489 /nfs/dbraw/zinc/03/44/89/698034489.db2.gz SSEGEBYYPASKSS-SECBINFHSA-N 1 0 189.324 1.196 20 0 ADADRO CCCCCN1CC[C@@H]2C[NH2+]C[C@@H]21 395402042 698034535 /nfs/dbraw/zinc/03/45/35/698034535.db2.gz XWPCDEHGHVVICM-MNOVXSKESA-N 1 0 182.311 1.470 20 0 ADADRO CCNC(=[NH2+])NCC(C)(C)C1CCC1 395354219 698034617 /nfs/dbraw/zinc/03/46/17/698034617.db2.gz CKBFFCYTWUXWJT-UHFFFAOYSA-N 1 0 197.326 1.947 20 0 ADADRO CCC(CC)c1noc(C[C@H](C)[NH3+])n1 395250715 698034652 /nfs/dbraw/zinc/03/46/52/698034652.db2.gz ZVTYJKLTSYANCT-ZETCQYMHSA-N 1 0 197.282 1.863 20 0 ADADRO COCC(COC)[NH2+][C@H]1CC[C@@H]1C 395523863 698034936 /nfs/dbraw/zinc/03/49/36/698034936.db2.gz XPHFXIQPJGGGPC-WPRPVWTQSA-N 1 0 187.283 1.036 20 0 ADADRO COCC(COC)[NH2+][C@H]1CC[C@H]1C 395523861 698035014 /nfs/dbraw/zinc/03/50/14/698035014.db2.gz XPHFXIQPJGGGPC-SCZZXKLOSA-N 1 0 187.283 1.036 20 0 ADADRO COCC(COC)[NH2+][C@@H]1CC[C@@H]1C 395523862 698035026 /nfs/dbraw/zinc/03/50/26/698035026.db2.gz XPHFXIQPJGGGPC-WCBMZHEXSA-N 1 0 187.283 1.036 20 0 ADADRO COCC(COC)[NH2+][C@@H]1CC[C@H]1C 395523860 698035063 /nfs/dbraw/zinc/03/50/63/698035063.db2.gz XPHFXIQPJGGGPC-PSASIEDQSA-N 1 0 187.283 1.036 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+]CCC1(CO)CC1 395881856 698035539 /nfs/dbraw/zinc/03/55/39/698035539.db2.gz PEMIIFOLCSYAPA-VHSXEESVSA-N 1 0 183.295 1.537 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]CCC1(CO)CC1 395881859 698035617 /nfs/dbraw/zinc/03/56/17/698035617.db2.gz PEMIIFOLCSYAPA-ZJUUUORDSA-N 1 0 183.295 1.537 20 0 ADADRO 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/nfs/dbraw/zinc/08/39/69/343083969.db2.gz INSSLGFLVPPPQV-QMMMGPOBSA-N 1 0 143.230 1.117 20 0 ADADRO CC[N@@H+]1CCCOC[C@H]1C 23699253 343083974 /nfs/dbraw/zinc/08/39/74/343083974.db2.gz INSSLGFLVPPPQV-MRVPVSSYSA-N 1 0 143.230 1.117 20 0 ADADRO CCC(CC)C[NH2+]CCO 26515402 343089218 /nfs/dbraw/zinc/08/92/18/343089218.db2.gz NOKBDAJUQHJICZ-UHFFFAOYSA-N 1 0 145.246 1.005 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CCCn1ccnc1 26516595 343089583 /nfs/dbraw/zinc/08/95/83/343089583.db2.gz DXNOCTDOORZIRC-LLVKDONJSA-N 1 0 195.310 1.907 20 0 ADADRO CC[N@H+](C)Cc1ccc2c(c1)OCO2 32171522 343099745 /nfs/dbraw/zinc/09/97/45/343099745.db2.gz GBLFQRUTYZJXLY-UHFFFAOYSA-N 1 0 193.246 1.867 20 0 ADADRO C[C@H]([NH2+]C[C@@H](C)O)c1ccccc1 32007325 343096019 /nfs/dbraw/zinc/09/60/19/343096019.db2.gz NFXLZPVBFZLNKO-ZJUUUORDSA-N 1 0 179.263 1.718 20 0 ADADRO Cc1ccsc1CN1CC[NH2+]CC1 33422550 343104590 /nfs/dbraw/zinc/10/45/90/343104590.db2.gz FQSVQVWTSANQCW-UHFFFAOYSA-N 1 0 196.319 1.462 20 0 ADADRO C[C@H]1C[N@H+](C)C[C@]1(O)c1ccccc1 33639013 343105936 /nfs/dbraw/zinc/10/59/36/343105936.db2.gz XDFQFXXJLSXTQA-CMPLNLGQSA-N 1 0 191.274 1.456 20 0 ADADRO C[C@H](CCO)[NH2+]C1CCCCC1 34115544 343110860 /nfs/dbraw/zinc/11/08/60/343110860.db2.gz PMAJTYOQZRNAKE-SECBINFHSA-N 1 0 171.284 1.680 20 0 ADADRO CC[C@@H]1CC[NH2+]C[C@@H]1C 34113763 343110882 /nfs/dbraw/zinc/11/08/82/343110882.db2.gz XDOCILGWSIZBKG-JGVFFNPUSA-N 1 0 127.231 1.642 20 0 ADADRO C[C@H](O)[C@H]([NH3+])c1ccc(F)c(F)c1 34414282 343118857 /nfs/dbraw/zinc/11/88/57/343118857.db2.gz BKMCHPFXUMNRLJ-CDUCUWFYSA-N 1 0 187.189 1.345 20 0 ADADRO CC1(C)Oc2ccsc2[C@H]([NH3+])[C@@H]1O 34420536 343118913 /nfs/dbraw/zinc/11/89/13/343118913.db2.gz XKGVOPVKKXUCIE-XPUUQOCRSA-N 1 0 199.275 1.280 20 0 ADADRO C[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 34651122 343124065 /nfs/dbraw/zinc/12/40/65/343124065.db2.gz RXJNISQQRDDOIT-IVZWLZJFSA-N 1 0 198.310 1.147 20 0 ADADRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)OC 34961184 343126760 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35657709 343135974 /nfs/dbraw/zinc/13/59/74/343135974.db2.gz HAOUCRMXJPUIAV-VIFPVBQESA-N 1 0 163.220 1.641 20 0 ADADRO Cc1ccc(C)c2c1OC[C@@H]2[NH3+] 35653475 343135978 /nfs/dbraw/zinc/13/59/78/343135978.db2.gz XINZTDZMZANOCF-QMMMGPOBSA-N 1 0 163.220 1.696 20 0 ADADRO CN(Cc1ccsc1)C(=O)CC[NH3+] 35719308 343137038 /nfs/dbraw/zinc/13/70/38/343137038.db2.gz XPHFZUOAKOXTAZ-UHFFFAOYSA-N 1 0 198.291 1.055 20 0 ADADRO C[C@H]([NH3+])C(=O)N(C)Cc1cccs1 35717462 343137286 /nfs/dbraw/zinc/13/72/86/343137286.db2.gz RYASRQUOZHCNGT-ZETCQYMHSA-N 1 0 198.291 1.054 20 0 ADADRO C[C@H](NC(=O)CC[NH3+])c1cccs1 35736832 343137921 /nfs/dbraw/zinc/13/79/21/343137921.db2.gz HIOBBWQFXJXARF-ZETCQYMHSA-N 1 0 198.291 1.274 20 0 ADADRO C[NH2+]CCCc1nc2ccccc2o1 34974018 343126791 /nfs/dbraw/zinc/12/67/91/343126791.db2.gz DFEJPMYJSQTLOE-UHFFFAOYSA-N 1 0 190.246 1.980 20 0 in-vitro ADADRO Cc1ccc([C@@H](C)[NH2+]CCO)s1 34973719 343126815 /nfs/dbraw/zinc/12/68/15/343126815.db2.gz GLHBGVYGDXFBJP-MRVPVSSYSA-N 1 0 185.292 1.699 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GFZKBICDDNLVGK-UHFFFAOYSA-N 1 0 198.266 1.418 20 0 ADADRO Cc1cn2cccc(C[NH3+])c2n1 36243375 343142839 /nfs/dbraw/zinc/14/28/39/343142839.db2.gz XYJMYBZOFCIVMI-UHFFFAOYSA-N 1 0 161.208 1.101 20 0 ADADRO CCC(=O)Nc1cccc(C[NH2+]C)c1 36282589 343143519 /nfs/dbraw/zinc/14/35/19/343143519.db2.gz AQNZEGPAIRAGRE-UHFFFAOYSA-N 1 0 192.262 1.755 20 0 ADADRO CN(C(=O)C[NH3+])C1CCCCCC1 36328520 343144450 /nfs/dbraw/zinc/14/44/50/343144450.db2.gz FJJUWGNLWORESX-UHFFFAOYSA-N 1 0 184.283 1.126 20 0 ADADRO C[C@H]([NH3+])C(=O)N(C)C1CCCCCC1 36328556 343144524 /nfs/dbraw/zinc/14/45/24/343144524.db2.gz NSLPCHDDXLDJIX-VIFPVBQESA-N 1 0 198.310 1.515 20 0 ADADRO CN(C(=O)CC[NH3+])C1CCCCCC1 36328363 343144538 /nfs/dbraw/zinc/14/45/38/343144538.db2.gz QRHOOKVENPYLJD-UHFFFAOYSA-N 1 0 198.310 1.516 20 0 ADADRO c1coc(CC[NH2+]Cc2cc[nH]n2)c1 36900347 343153417 /nfs/dbraw/zinc/15/34/17/343153417.db2.gz WBRSAEGZQHMTHI-UHFFFAOYSA-N 1 0 191.234 1.335 20 0 ADADRO CC[C@H](C)[NH2+]Cc1ccnn1C 36901034 343153969 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ADADRO CCOC(=O)C[N@H+](C)C[C@H](C)CC 37173656 343162012 /nfs/dbraw/zinc/16/20/12/343162012.db2.gz CCAAPNFZGRJBFE-SECBINFHSA-N 1 0 187.283 1.527 20 0 ADADRO CC[C@@H](C)C[N@H+](C)CC(=O)OC 37173660 343162061 /nfs/dbraw/zinc/16/20/61/343162061.db2.gz OTBLFCIUUFMZBO-MRVPVSSYSA-N 1 0 173.256 1.137 20 0 ADADRO CC[C@H](CO)[NH2+][C@H](CC)C(C)C 37238553 343163095 /nfs/dbraw/zinc/16/30/95/343163095.db2.gz ZXDHQRLMLHSZLN-NXEZZACHSA-N 1 0 173.300 1.782 20 0 ADADRO CC1CCC([N@@H+]2CC[C@H](N)C2)CC1 37242079 343163807 /nfs/dbraw/zinc/16/38/07/343163807.db2.gz HATVPLVUTQKPEI-YVNMAJEFSA-N 1 0 182.311 1.598 20 0 ADADRO CC[C@H]1CCCC[N@@H+]1CC(=O)OC 37022409 343157385 /nfs/dbraw/zinc/15/73/85/343157385.db2.gz VIWQCJAESUNXLE-VIFPVBQESA-N 1 0 185.267 1.424 20 0 ADADRO CC[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] 37027224 343157829 /nfs/dbraw/zinc/15/78/29/343157829.db2.gz RBVGDTMVRRTKRK-RKDXNWHRSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@H]1CCCC[C@H]1NC(=O)C[NH3+] 37027225 343157880 /nfs/dbraw/zinc/15/78/80/343157880.db2.gz RBVGDTMVRRTKRK-DTWKUNHWSA-N 1 0 184.283 1.030 20 0 ADADRO CCC[N@H+](CC)C[C@H](C)N 37094897 343159137 /nfs/dbraw/zinc/15/91/37/343159137.db2.gz CUAMIZAOSYSZIU-QMMMGPOBSA-N 1 0 144.262 1.066 20 0 in-vitro ADADRO C[C@H](N)C[N@H+](C)C1CCCC1 37084322 343159143 /nfs/dbraw/zinc/15/91/43/343159143.db2.gz KTMPIUFFKFDZCE-QMMMGPOBSA-N 1 0 156.273 1.208 20 0 ADADRO CCC[N@H+](CCC(=O)OCC)C1CC1 37097524 343159198 /nfs/dbraw/zinc/15/91/98/343159198.db2.gz RZYNDFMZUSBCAN-UHFFFAOYSA-N 1 0 199.294 1.814 20 0 ADADRO CCC[N@H+](CC(=O)OCC)C(C)C 37096411 343159201 /nfs/dbraw/zinc/15/92/01/343159201.db2.gz OEPNMOWELDVOLD-UHFFFAOYSA-N 1 0 187.283 1.670 20 0 ADADRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](C)N 37083184 343159219 /nfs/dbraw/zinc/15/92/19/343159219.db2.gz PJRNURSPZMPGTP-NXEZZACHSA-N 1 0 170.300 1.598 20 0 ADADRO CC[C@H]([NH2+]CC(=O)N(C)C)C(C)C 37254284 343164429 /nfs/dbraw/zinc/16/44/29/343164429.db2.gz BXOALFMKTDZDID-VIFPVBQESA-N 1 0 186.299 1.099 20 0 ADADRO CC(C)[C@@H]([NH2+]CCO)c1ccccc1 37250670 343164445 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CCCCNC(=O)C1([NH3+])CCCC1 37479377 343170720 /nfs/dbraw/zinc/17/07/20/343170720.db2.gz SVYHQAMFMCWGBF-UHFFFAOYSA-N 1 0 184.283 1.174 20 0 ADADRO CCCN(C)C(=O)C1([NH3+])CCCC1 37479452 343171052 /nfs/dbraw/zinc/17/10/52/343171052.db2.gz QVGJIFIIZRHCBG-UHFFFAOYSA-N 1 0 184.283 1.126 20 0 ADADRO CC1CCC([N@@H+]2CC[C@@H](N)C2)CC1 37242081 343163833 /nfs/dbraw/zinc/16/38/33/343163833.db2.gz HATVPLVUTQKPEI-HSOILSAZSA-N 1 0 182.311 1.598 20 0 ADADRO CC[C@H](O)C[N@H+](C)Cc1ccco1 37693970 343175380 /nfs/dbraw/zinc/17/53/80/343175380.db2.gz JKEZYFQXGXDJDQ-VIFPVBQESA-N 1 0 183.251 1.482 20 0 ADADRO CC[C@H]1CCC[N@H+](C[C@@H](C)O)C1 37694110 343175584 /nfs/dbraw/zinc/17/55/84/343175584.db2.gz OKJWACSAMQAPPE-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO Cc1ccc(C[NH2+]C[C@H]2CCOC2)o1 37737978 343177242 /nfs/dbraw/zinc/17/72/42/343177242.db2.gz BBEGPSYXFDRJKW-SNVBAGLBSA-N 1 0 195.262 1.714 20 0 ADADRO CC(C)C[NH2+][C@H](C)CN1CCCC1=O 37782304 343178135 /nfs/dbraw/zinc/17/81/35/343178135.db2.gz 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343336078 /nfs/dbraw/zinc/33/60/78/343336078.db2.gz XMNCACZJGLNAJR-VIFPVBQESA-N 1 0 187.283 1.526 20 0 ADADRO COC(=O)C[N@H+](C)[C@H](C)C(C)(C)C 55483445 343336132 /nfs/dbraw/zinc/33/61/32/343336132.db2.gz DLKXFTNZVCIMPK-MRVPVSSYSA-N 1 0 187.283 1.526 20 0 ADADRO CC(C)[N@@H+]1CCC[C@@H](CO)CC1 57354219 343337169 /nfs/dbraw/zinc/33/71/69/343337169.db2.gz HVARXICXOSTYRF-SNVBAGLBSA-N 1 0 171.284 1.489 20 0 ADADRO C[C@@H](C(N)=O)[NH+]1CCCCCCC1 57407009 343337205 /nfs/dbraw/zinc/33/72/05/343337205.db2.gz NJTKSXIWOLIGQP-VIFPVBQESA-N 1 0 184.283 1.126 20 0 ADADRO CC(C)[N@@H+]1CCC[C@H](CO)CC1 57354218 343337209 /nfs/dbraw/zinc/33/72/09/343337209.db2.gz HVARXICXOSTYRF-JTQLQIEISA-N 1 0 171.284 1.489 20 0 ADADRO c1cncc(C[NH2+]Cc2ccoc2)c1 57998235 343338621 /nfs/dbraw/zinc/33/86/21/343338621.db2.gz JWKDXZVTGHHRMB-UHFFFAOYSA-N 1 0 188.230 1.964 20 0 ADADRO CCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 59715921 343347310 /nfs/dbraw/zinc/34/73/10/343347310.db2.gz NHNJCCIPQIRKOJ-SECBINFHSA-N 1 0 171.284 1.489 20 0 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CC[C@@H](C)C[N@@H+]1[C@@H](C)CNC[C@H]1C 68914613 343415194 /nfs/dbraw/zinc/41/51/94/343415194.db2.gz IBCQUBYUQSYIFH-MXWKQRLJSA-N 1 0 184.327 1.715 20 0 ADADRO C[C@H]1CNC[C@@H](C)[N@@H+]1CC1CC1 68914968 343415202 /nfs/dbraw/zinc/41/52/02/343415202.db2.gz XHCGDGGYYNNGRH-DTORHVGOSA-N 1 0 168.284 1.079 20 0 ADADRO C[C@H]1CNC[C@@H](C)[N@@H+]1CC1CCCC1 68915232 343415728 /nfs/dbraw/zinc/41/57/28/343415728.db2.gz HLTOPUFYVYOIKE-PHIMTYICSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H]1C[NH2+]C[C@@H](C)N1C/C=C/Cl 68939063 343415778 /nfs/dbraw/zinc/41/57/78/343415778.db2.gz PUYWGZIQUZQXOD-WTSWQZHKSA-N 1 0 188.702 1.421 20 0 ADADRO CC(C)[C@@H](C)C(=O)NCC[C@H](C)[NH3+] 69688926 343435062 /nfs/dbraw/zinc/43/50/62/343435062.db2.gz FAWUQAILPIFLCP-DTWKUNHWSA-N 1 0 186.299 1.132 20 0 ADADRO CC(C)=CC(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 69719230 343436224 /nfs/dbraw/zinc/43/62/24/343436224.db2.gz DDZPUWFSCFTSOW-NXEZZACHSA-N 1 0 196.294 1.148 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]Cc1cn(C)nn1 69662216 343431215 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/nfs/dbraw/zinc/45/09/03/343450903.db2.gz KRCXTGVVVPTFBD-BDAKNGLRSA-N 1 0 189.324 1.507 20 0 ADADRO C[C@@H]1C[C@H]([NH2+]C2CCOCC2)CCO1 69862116 343450908 /nfs/dbraw/zinc/45/09/08/343450908.db2.gz GSCGHTVTUACWBN-MWLCHTKSSA-N 1 0 199.294 1.323 20 0 ADADRO C[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CCO1 69889904 343450914 /nfs/dbraw/zinc/45/09/14/343450914.db2.gz RLLQHKHRVHHWEC-DTWKUNHWSA-N 1 0 195.266 1.067 20 0 ADADRO CSCC[NH2+][C@@H]1CCO[C@H](C)C1 69891533 343450917 /nfs/dbraw/zinc/45/09/17/343450917.db2.gz KRCXTGVVVPTFBD-RKDXNWHRSA-N 1 0 189.324 1.507 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCOC1 70014459 343466598 /nfs/dbraw/zinc/46/65/98/343466598.db2.gz VWCNLJPAMCHJRF-GMTAPVOTSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOC1 70014454 343466599 /nfs/dbraw/zinc/46/65/99/343466599.db2.gz VWCNLJPAMCHJRF-MXWKQRLJSA-N 1 0 183.295 1.944 20 0 ADADRO CCn1cc([C@H]2CCC[NH2+]C2)cn1 70204358 343478850 /nfs/dbraw/zinc/47/88/50/343478850.db2.gz MXSPJIFSRXKQTG-VIFPVBQESA-N 1 0 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71305878 343552003 /nfs/dbraw/zinc/55/20/03/343552003.db2.gz RPWWCLIHFDSTFG-SNVBAGLBSA-N 1 0 192.262 1.573 20 0 ADADRO Cc1cc[nH+]c(NC[C@H](O)C2CC2)c1 71305876 343552027 /nfs/dbraw/zinc/55/20/27/343552027.db2.gz RPWWCLIHFDSTFG-JTQLQIEISA-N 1 0 192.262 1.573 20 0 ADADRO C[C@H]([NH3+])c1cccc(-n2cncn2)c1 72266535 343567931 /nfs/dbraw/zinc/56/79/31/343567931.db2.gz YORJPTCHURTTBO-QMMMGPOBSA-N 1 0 188.234 1.287 20 0 in-vitro ADADRO [NH3+][C@H]1CCC[C@H]1c1noc(C2CC2)n1 74248018 343571653 /nfs/dbraw/zinc/57/16/53/343571653.db2.gz RICGIYCRFXPFFW-SFYZADRCSA-N 1 0 193.250 1.542 20 0 ADADRO CC(C)c1nc([C@H]2CCC[C@H]2[NH3+])no1 74244072 343571654 /nfs/dbraw/zinc/57/16/54/343571654.db2.gz QAHCMKUVERMXQJ-JGVFFNPUSA-N 1 0 195.266 1.788 20 0 ADADRO [NH3+]CCCc1nc2ccc(F)cc2o1 74246958 343571655 /nfs/dbraw/zinc/57/16/55/343571655.db2.gz YZGNWQUJYHIJEW-UHFFFAOYSA-N 1 0 194.209 1.858 20 0 ADADRO [NH3+]Cc1cc(C2CCCCC2)ncn1 74271635 343571667 /nfs/dbraw/zinc/57/16/67/343571667.db2.gz PBKAAYSMCXVLPD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/78/96/41/343789641.db2.gz KIWFWRBIFRGHTA-UHFFFAOYSA-N 1 0 194.278 1.284 20 0 ADADRO CC[C@@H](CCO)[NH2+]Cc1ccncc1 125773229 343792232 /nfs/dbraw/zinc/79/22/32/343792232.db2.gz HRVPCQBQXPCKBB-NSHDSACASA-N 1 0 194.278 1.332 20 0 ADADRO CC[C@@H](CCO)[NH2+]CC(C)(C)C 125768367 343792233 /nfs/dbraw/zinc/79/22/33/343792233.db2.gz PXPNDOAPUQWLKE-VIFPVBQESA-N 1 0 173.300 1.783 20 0 ADADRO C[C@@]1([NH2+]CC2=CCCOC2)CCOC1 126321831 343793566 /nfs/dbraw/zinc/79/35/66/343793566.db2.gz XOMYPPVJYNRQCX-LLVKDONJSA-N 1 0 197.278 1.102 20 0 ADADRO Cc1nccc(NC[C@H](O)C(C)C)n1 127205567 343807321 /nfs/dbraw/zinc/80/73/21/343807321.db2.gz CCRSJKVHVCOSQE-VIFPVBQESA-N 1 0 195.266 1.214 20 0 ADADRO Cc1nccc(NC[C@@H](O)C(C)C)n1 127205762 343807326 /nfs/dbraw/zinc/80/73/26/343807326.db2.gz CCRSJKVHVCOSQE-SECBINFHSA-N 1 0 195.266 1.214 20 0 ADADRO C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CCOC1 127012195 343802726 /nfs/dbraw/zinc/80/27/26/343802726.db2.gz MEAGTCKVNSKBOW-NXEZZACHSA-N 1 0 195.262 1.794 20 0 ADADRO COC[C@@H](C)[NH2+]C[C@H](C)C1CC1 128028893 343823812 /nfs/dbraw/zinc/82/38/12/343823812.db2.gz NOLHXWAYVVIXMQ-DTWKUNHWSA-N 1 0 171.284 1.657 20 0 ADADRO COC[C@@H](C)[NH2+][C@@H](C)CSC 128052812 343824300 /nfs/dbraw/zinc/82/43/00/343824300.db2.gz XDPOFFNGSGMOIB-SFYZADRCSA-N 1 0 177.313 1.362 20 0 ADADRO Cc1ccoc1C[NH+]1CCC(O)CC1 128064236 343824314 /nfs/dbraw/zinc/82/43/14/343824314.db2.gz JOKJALRUGWCEKV-UHFFFAOYSA-N 1 0 195.262 1.545 20 0 ADADRO COC[C@@H](C)[NH2+][C@H](C)CSC 128053261 343824319 /nfs/dbraw/zinc/82/43/19/343824319.db2.gz XDPOFFNGSGMOIB-HTQZYQBOSA-N 1 0 177.313 1.362 20 0 ADADRO CC1CCC(C[N@@H+]2CC[C@H](O)C2)CC1 128173605 343825723 /nfs/dbraw/zinc/82/57/23/343825723.db2.gz JAXIQCMOTWGZTP-MCIGGMRASA-N 1 0 197.322 1.879 20 0 ADADRO C[N@H+](CCC1CC1)C(C)(C)CO 128364355 343830096 /nfs/dbraw/zinc/83/00/96/343830096.db2.gz SVFVWCGPTOXOQX-UHFFFAOYSA-N 1 0 171.284 1.489 20 0 ADADRO CSCCC[N@H+](C)C(C)(C)CO 128363779 343830114 /nfs/dbraw/zinc/83/01/14/343830114.db2.gz UYDDVGXCIYRQGB-UHFFFAOYSA-N 1 0 191.340 1.442 20 0 ADADRO CSCCC[N@H+](C)CC[C@@H](C)O 128419893 343830494 /nfs/dbraw/zinc/83/04/94/343830494.db2.gz MAALKNGPJDYYHX-SECBINFHSA-N 1 0 191.340 1.442 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNC2)C1 128507748 343832471 /nfs/dbraw/zinc/83/24/71/343832471.db2.gz MMEUMPASJWVVPJ-OUAUKWLOSA-N 1 0 182.311 1.517 20 0 ADADRO CC1CC([NH2+]Cc2ccncc2)C1 128859497 343838660 /nfs/dbraw/zinc/83/86/60/343838660.db2.gz OGBUBJJETVJMIG-UHFFFAOYSA-N 1 0 176.263 1.970 20 0 ADADRO Cc1cc(F)cc2c1O[C@@H](C)[C@H]2[NH3+] 129271387 343847775 /nfs/dbraw/zinc/84/77/75/343847775.db2.gz LTRHAXWZQGZLTG-IMTBSYHQSA-N 1 0 181.210 1.915 20 0 ADADRO Cc1n[nH]c(C)c1C[NH2+]C1CC(C)C1 128862359 343839413 /nfs/dbraw/zinc/83/94/13/343839413.db2.gz PPDPETOOYZYLFC-UHFFFAOYSA-N 1 0 193.294 1.915 20 0 ADADRO Cn1nncc1C[NH2+][C@@H]1CC=CCC1 129772772 343856064 /nfs/dbraw/zinc/85/60/64/343856064.db2.gz YXOHUHJBFDVHMI-SECBINFHSA-N 1 0 192.266 1.013 20 0 ADADRO C1=C[C@@H]([NH2+][C@@H]2CCOC2)CCC1 130688520 343872840 /nfs/dbraw/zinc/87/28/40/343872840.db2.gz LCLKPOMYCPWLTK-NXEZZACHSA-N 1 0 167.252 1.474 20 0 ADADRO CN1CCC([NH2+][C@@H]2C=CCCC2)CC1 130692042 343873333 /nfs/dbraw/zinc/87/33/33/343873333.db2.gz KZHPDIYKNYASBT-LLVKDONJSA-N 1 0 194.322 1.779 20 0 ADADRO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCCC2=O)C1 130317185 343866317 /nfs/dbraw/zinc/86/63/17/343866317.db2.gz NHRRLRMYMNRHTI-UTLUCORTSA-N 1 0 181.279 1.744 20 0 ADADRO CC1CC([NH2+][C@@H]2CCN(C)C2)C1 130309978 343866352 /nfs/dbraw/zinc/86/63/52/343866352.db2.gz ULKOOISUWZRNHH-HWOCKDDLSA-N 1 0 168.284 1.079 20 0 ADADRO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCC2=O)C1 130317599 343866356 /nfs/dbraw/zinc/86/63/56/343866356.db2.gz NHRRLRMYMNRHTI-KXUCPTDWSA-N 1 0 181.279 1.744 20 0 ADADRO CC1CC([NH2+][C@H]2CCN(C)C2)C1 130310201 343866371 /nfs/dbraw/zinc/86/63/71/343866371.db2.gz ULKOOISUWZRNHH-KYHHOPLUSA-N 1 0 168.284 1.079 20 0 ADADRO CC(C)C(=O)C[C@@H]1C[C@@H](C)CC[NH2+]1 130332061 343866975 /nfs/dbraw/zinc/86/69/75/343866975.db2.gz DJDPQADWYZGXFD-UWVGGRQHSA-N 1 0 183.295 1.990 20 0 ADADRO CC1CC([NH2+][C@H]2CCN(C)C[C@@H]2C)C1 130382891 343867451 /nfs/dbraw/zinc/86/74/51/343867451.db2.gz KQTZFVQHHUHFST-ADPBJBESSA-N 1 0 196.338 1.715 20 0 ADADRO C[C@@H]1CC[NH2+][C@H]([C@@H](C)C(=O)C2CC2)C1 130349858 343867701 /nfs/dbraw/zinc/86/77/01/343867701.db2.gz APYRBTIFLDZCAQ-KKZNHRDASA-N 1 0 195.306 1.990 20 0 ADADRO Cc1ccc(N[C@@H](C)C[NH+](C)C)nn1 130615893 343870962 /nfs/dbraw/zinc/87/09/62/343870962.db2.gz XFWNMXPAZVULDM-VIFPVBQESA-N 1 0 194.282 1.147 20 0 ADADRO Cc1cc(N[C@@H](C)C[NH+](C)C)ncn1 130615460 343871003 /nfs/dbraw/zinc/87/10/03/343871003.db2.gz MCWAMBANCCFAGI-VIFPVBQESA-N 1 0 194.282 1.147 20 0 ADADRO Cc1nccc(N[C@@H](C)C[NH+](C)C)n1 130606501 343871007 /nfs/dbraw/zinc/87/10/07/343871007.db2.gz RXYCMPCLCQAMRY-QMMMGPOBSA-N 1 0 194.282 1.147 20 0 ADADRO C1=C[C@H]([NH2+][C@H]2CCOC2)CCC1 130688744 343872638 /nfs/dbraw/zinc/87/26/38/343872638.db2.gz LCLKPOMYCPWLTK-UWVGGRQHSA-N 1 0 167.252 1.474 20 0 ADADRO C[NH2+]CCC(=O)N1CC[C@H](C)[C@@H](C)C1 131930566 343891377 /nfs/dbraw/zinc/89/13/77/343891377.db2.gz PJGXURLSWZRBTP-UWVGGRQHSA-N 1 0 198.310 1.100 20 0 ADADRO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CO)C1 131642263 343887088 /nfs/dbraw/zinc/88/70/88/343887088.db2.gz UYYVAGBNIZFZIH-GMTAPVOTSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]Cc1cscn1 132638256 343901917 /nfs/dbraw/zinc/90/19/17/343901917.db2.gz WWEOITTZNZQIQY-SFYZADRCSA-N 1 0 182.292 1.889 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]Cc1cscn1 132638034 343901919 /nfs/dbraw/zinc/90/19/19/343901919.db2.gz WWEOITTZNZQIQY-JGVFFNPUSA-N 1 0 182.292 1.889 20 0 ADADRO C(=C1/CCC[NH2+]C1)\c1cccnc1 22192 166043796 /nfs/dbraw/zinc/04/37/96/166043796.db2.gz AYKAAPWXQDATMC-XFFZJAGNSA-N 1 0 174.247 1.848 20 0 ADADRO C(=C1CC[NH2+]CC1)C1CC1 18855837 166044181 /nfs/dbraw/zinc/04/41/81/166044181.db2.gz UQGJDMHWKSSTET-UHFFFAOYSA-N 1 0 137.226 1.706 20 0 ADADRO C(=C/[C@@H]1CC[NH2+]C1)\c1cccnc1 71281003 166045123 /nfs/dbraw/zinc/04/51/23/166045123.db2.gz PSBNIEMSZQGKQW-PGLGOXFNSA-N 1 0 174.247 1.704 20 0 ADADRO C(C[C@H]1CCOC1)[NH2+]C1CC1 53302528 166045802 /nfs/dbraw/zinc/04/58/02/166045802.db2.gz KDGLZDYKHMHXFA-QMMMGPOBSA-N 1 0 155.241 1.165 20 0 ADADRO C(CC1CCOCC1)[NH2+]C1CC1 53302521 166046277 /nfs/dbraw/zinc/04/62/77/166046277.db2.gz RGISCBJLLLSSPV-UHFFFAOYSA-N 1 0 169.268 1.555 20 0 ADADRO C(C[NH2+]C(C1CC1)C1CC1)NC1CC1 49237965 166046907 /nfs/dbraw/zinc/04/69/07/166046907.db2.gz MTHJCJUANHFYDO-UHFFFAOYSA-N 1 0 194.322 1.517 20 0 ADADRO C(C[C@@H]1CCOC1)[NH2+]C1CC1 53302527 166047421 /nfs/dbraw/zinc/04/74/21/166047421.db2.gz KDGLZDYKHMHXFA-MRVPVSSYSA-N 1 0 155.241 1.165 20 0 ADADRO C(CC1CC1)CN1CC[NH2+]CC1 82853980 166047527 /nfs/dbraw/zinc/04/75/27/166047527.db2.gz HJFAKHAGBUCIRY-UHFFFAOYSA-N 1 0 168.284 1.082 20 0 ADADRO C/C(=C\c1ccccc1)C[NH2+]CCO 76271396 166051069 /nfs/dbraw/zinc/05/10/69/166051069.db2.gz ZOERUKYMQCRYCE-PKNBQFBNSA-N 1 0 191.274 1.672 20 0 ADADRO OCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 132763251 343903616 /nfs/dbraw/zinc/90/36/16/343903616.db2.gz NDDKTBCSKNZEMO-QWRGUYRKSA-N 1 0 183.295 1.633 20 0 ADADRO CSC[C@@H](CCO)[NH2+]C(C)C 132785187 343904238 /nfs/dbraw/zinc/90/42/38/343904238.db2.gz XQVINFWACADPMJ-MRVPVSSYSA-N 1 0 177.313 1.098 20 0 ADADRO C1=C(C[NH2+][C@H]2CCCOC2)COCC1 124704503 166070937 /nfs/dbraw/zinc/07/09/37/166070937.db2.gz IVUPDKXJROZUEU-NSHDSACASA-N 1 0 197.278 1.102 20 0 ADADRO C1=C(C[NH2+][C@H]2CCOC2)CCCC1 307370726 166071095 /nfs/dbraw/zinc/07/10/95/166071095.db2.gz SOLSYIPOAQXYED-NSHDSACASA-N 1 0 181.279 1.865 20 0 ADADRO C1=C(C[N@@H+]2CCCOCC2)COCC1 335910974 166071119 /nfs/dbraw/zinc/07/11/19/166071119.db2.gz OTWPPWUZMHOEBE-UHFFFAOYSA-N 1 0 197.278 1.055 20 0 ADADRO C1=C(C[NH+]2CCOCC2)CCCC1 336196789 166071130 /nfs/dbraw/zinc/07/11/30/166071130.db2.gz XZQXDWOPGPESAK-UHFFFAOYSA-N 1 0 181.279 1.819 20 0 ADADRO C1=C(C[N@@H+]2CCC23CCC3)COCC1 334402378 166071373 /nfs/dbraw/zinc/07/13/73/166071373.db2.gz HKAYVLOPLAHHRC-UHFFFAOYSA-N 1 0 193.290 1.962 20 0 ADADRO C1=C(C[NH2+][C@H]2CCSC2)COCC1 307698345 166071777 /nfs/dbraw/zinc/07/17/77/166071777.db2.gz MVVVWERPZPPTSG-JTQLQIEISA-N 1 0 199.319 1.428 20 0 ADADRO C1=C(C[NH2+]C2CCCC2)COCC1 124618544 166072069 /nfs/dbraw/zinc/07/20/69/166072069.db2.gz GYYIXFVCTDMTFA-UHFFFAOYSA-N 1 0 181.279 1.865 20 0 ADADRO C1=C(C[NH2+][C@@H]2CCCOC2)COCC1 124704779 166072105 /nfs/dbraw/zinc/07/21/05/166072105.db2.gz IVUPDKXJROZUEU-LLVKDONJSA-N 1 0 197.278 1.102 20 0 ADADRO C1=C(CNC2=[NH+]CCCN2)CCCC1 307372971 166072320 /nfs/dbraw/zinc/07/23/20/166072320.db2.gz RPAIZFAJYYKBAE-UHFFFAOYSA-N 1 0 193.294 1.426 20 0 ADADRO C1=C(C[NH2+][C@@H]2CCOC2)CCCC1 307370725 166072328 /nfs/dbraw/zinc/07/23/28/166072328.db2.gz SOLSYIPOAQXYED-LLVKDONJSA-N 1 0 181.279 1.865 20 0 ADADRO C1=C(C[NH+]2CCSCC2)COCC1 307685516 166072374 /nfs/dbraw/zinc/07/23/74/166072374.db2.gz YZCWWHQOSZVSFJ-UHFFFAOYSA-N 1 0 199.319 1.382 20 0 ADADRO C1=C(C[NH2+]C2CCC2)COCC1 307048797 166072717 /nfs/dbraw/zinc/07/27/17/166072717.db2.gz GFZIIUAVIRFRFP-UHFFFAOYSA-N 1 0 167.252 1.475 20 0 ADADRO C1=C(C[NH2+][C@@H]2CCSC2)COCC1 307698346 166072896 /nfs/dbraw/zinc/07/28/96/166072896.db2.gz MVVVWERPZPPTSG-SNVBAGLBSA-N 1 0 199.319 1.428 20 0 ADADRO C1=C(c2ccncc2)CC[NH2+]C1 19811352 166073632 /nfs/dbraw/zinc/07/36/32/166073632.db2.gz IRADRONEMSSJFZ-UHFFFAOYSA-N 1 0 160.220 1.458 20 0 ADADRO C1=C(c2nccs2)CC[NH2+]C1 35075430 166073810 /nfs/dbraw/zinc/07/38/10/166073810.db2.gz KHXBVICOCXKUMW-UHFFFAOYSA-N 1 0 166.249 1.520 20 0 ADADRO C1=C(c2ccnc3[nH]ccc23)CC[NH2+]C1 89765065 166074618 /nfs/dbraw/zinc/07/46/18/166074618.db2.gz FKUVOSMVICANIZ-UHFFFAOYSA-N 1 0 199.257 1.940 20 0 in-vitro ADADRO C1=CC[C@H]([NH2+]Cc2ncc[nH]2)CC1 80122205 166075302 /nfs/dbraw/zinc/07/53/02/166075302.db2.gz WTYUJHFMCPCXSR-VIFPVBQESA-N 1 0 177.251 1.608 20 0 ADADRO C1=CC[C@@H](C[NH2+]Cc2ncc[nH]2)CC1 45629340 166075495 /nfs/dbraw/zinc/07/54/95/166075495.db2.gz DSJCCPUEOFOVJB-SNVBAGLBSA-N 1 0 191.278 1.856 20 0 ADADRO C1=CC[C@H](C[NH2+]C[C@@H]2CCOC2)CC1 37738381 166075797 /nfs/dbraw/zinc/07/57/97/166075797.db2.gz WAQWYCBNBVCGBY-RYUDHWBXSA-N 1 0 195.306 1.969 20 0 ADADRO C1=CC[C@H](C[NH2+]C[C@H]2CCOC2)CC1 37738383 166075918 /nfs/dbraw/zinc/07/59/18/166075918.db2.gz WAQWYCBNBVCGBY-NWDGAFQWSA-N 1 0 195.306 1.969 20 0 ADADRO C1=CC[C@@H](C[NH2+]C[C@@H]2CCOC2)CC1 37738380 166075921 /nfs/dbraw/zinc/07/59/21/166075921.db2.gz WAQWYCBNBVCGBY-NEPJUHHUSA-N 1 0 195.306 1.969 20 0 ADADRO C1=CC[C@H](C[NH2+]Cc2cnc[nH]2)CC1 54765292 166076066 /nfs/dbraw/zinc/07/60/66/166076066.db2.gz OUKVSILOOPQXEJ-JTQLQIEISA-N 1 0 191.278 1.856 20 0 ADADRO C1=CC[C@H](C[NH2+]Cc2cc[nH]n2)CC1 44375379 166076187 /nfs/dbraw/zinc/07/61/87/166076187.db2.gz FDVDGJIHOKODIP-JTQLQIEISA-N 1 0 191.278 1.856 20 0 ADADRO C1=CC[C@@H](C[NH2+]C[C@H]2CCOC2)CC1 37738382 166076204 /nfs/dbraw/zinc/07/62/04/166076204.db2.gz WAQWYCBNBVCGBY-VXGBXAGGSA-N 1 0 195.306 1.969 20 0 ADADRO C1=CC[C@@H]([NH2+]Cc2ncc[nH]2)CC1 80122211 166076556 /nfs/dbraw/zinc/07/65/56/166076556.db2.gz WTYUJHFMCPCXSR-SECBINFHSA-N 1 0 177.251 1.608 20 0 ADADRO C1=CC[C@H](C[NH2+]Cc2ncc[nH]2)CC1 45629339 166076693 /nfs/dbraw/zinc/07/66/93/166076693.db2.gz DSJCCPUEOFOVJB-JTQLQIEISA-N 1 0 191.278 1.856 20 0 ADADRO C1=C[C@@H]([N@H+]2CCOCC23CC3)CCC1 336513443 166077159 /nfs/dbraw/zinc/07/71/59/166077159.db2.gz MOIBDGQSABTLQR-LLVKDONJSA-N 1 0 193.290 1.960 20 0 ADADRO C1=CO[C@@H](C[NH2+]C[C@@H]2CCOC2)CC1 50269166 166077380 /nfs/dbraw/zinc/07/73/80/166077380.db2.gz XUGGBXBTUMAOHN-WDEREUQCSA-N 1 0 197.278 1.305 20 0 ADADRO C1=CO[C@@H](C[NH2+]C[C@H]2CCOC2)CC1 50269168 166077507 /nfs/dbraw/zinc/07/75/07/166077507.db2.gz XUGGBXBTUMAOHN-GHMZBOCLSA-N 1 0 197.278 1.305 20 0 ADADRO C1=CO[C@@H](C[NH2+]C2CCOCC2)CC1 50267974 166077607 /nfs/dbraw/zinc/07/76/07/166077607.db2.gz SQACKVAXLOXPRN-LLVKDONJSA-N 1 0 197.278 1.448 20 0 ADADRO C1=C[C@H]([NH2+]C2CCOCC2)CCC1 228317516 166077644 /nfs/dbraw/zinc/07/76/44/166077644.db2.gz GUOMZRLGALADSI-JTQLQIEISA-N 1 0 181.279 1.864 20 0 ADADRO 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/nfs/dbraw/zinc/07/85/42/166078542.db2.gz GUOMZRLGALADSI-SNVBAGLBSA-N 1 0 181.279 1.864 20 0 ADADRO C1=C[C@@H]([NH2+]Cc2cnccn2)CCC1 334644618 166078543 /nfs/dbraw/zinc/07/85/43/166078543.db2.gz LHGXWTKPGUXHEP-SNVBAGLBSA-N 1 0 189.262 1.675 20 0 ADADRO C1CC(C[NH2+]C2CCOCC2)C1 36304644 166082770 /nfs/dbraw/zinc/08/27/70/166082770.db2.gz HDGVPYQBPBNAQL-UHFFFAOYSA-N 1 0 169.268 1.555 20 0 ADADRO C1CC(CC[NH+]2CCOCC2)CCO1 306306563 166082903 /nfs/dbraw/zinc/08/29/03/166082903.db2.gz SUJRVCMLJXXBPH-UHFFFAOYSA-N 1 0 199.294 1.135 20 0 ADADRO C1CC(CC[C@@H]2CCOC2)CC[NH2+]1 51691218 166082915 /nfs/dbraw/zinc/08/29/15/166082915.db2.gz DJTOWRKJENZQIC-LLVKDONJSA-N 1 0 183.295 1.803 20 0 ADADRO C1CC([NH2+]C[C@@H]2CCCOC2)C1 44481853 166083120 /nfs/dbraw/zinc/08/31/20/166083120.db2.gz GMOGKUNVHYCMTE-VIFPVBQESA-N 1 0 169.268 1.555 20 0 ADADRO C1CC([NH2+][C@@H]2CCSC2)CCO1 36319193 166083215 /nfs/dbraw/zinc/08/32/15/166083215.db2.gz PCYIOEJYLKLFIM-SECBINFHSA-N 1 0 187.308 1.261 20 0 ADADRO 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139.242 1.786 20 0 ADADRO C1CCC(C[NH2+][C@@H]2CCCNC2)CC1 43325401 166087669 /nfs/dbraw/zinc/08/76/69/166087669.db2.gz WBJPEJRFAALDFX-GFCCVEGCSA-N 1 0 196.338 1.908 20 0 ADADRO C1CCC([NH2+]C[C@H]2COCCO2)CC1 37998173 166087804 /nfs/dbraw/zinc/08/78/04/166087804.db2.gz NRYFXXLIIHGQPA-NSHDSACASA-N 1 0 199.294 1.324 20 0 ADADRO C1CCC(C[N@@H+]2CCCOCC2)C1 307708845 166087817 /nfs/dbraw/zinc/08/78/17/166087817.db2.gz KKUIEKDCDQCSSS-UHFFFAOYSA-N 1 0 183.295 1.899 20 0 ADADRO C1CCC(C[NH2+]C2CC2)C1 34977734 166087904 /nfs/dbraw/zinc/08/79/04/166087904.db2.gz PHXUQRQYJIGSCU-UHFFFAOYSA-N 1 0 139.242 1.929 20 0 ADADRO C1CCC([NH2+][C@H]2CCCNC2)C1 43323711 166087910 /nfs/dbraw/zinc/08/79/10/166087910.db2.gz YTVURROPEQUERR-JTQLQIEISA-N 1 0 168.284 1.271 20 0 ADADRO C1CCC(C[NH2+][C@H]2CCOC2)C1 70965403 166087956 /nfs/dbraw/zinc/08/79/56/166087956.db2.gz PUENBTWJMXDHJF-JTQLQIEISA-N 1 0 169.268 1.555 20 0 ADADRO C1CCC(C[NH+]2CCOCC2)C1 38957028 166088018 /nfs/dbraw/zinc/08/80/18/166088018.db2.gz 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/nfs/dbraw/zinc/08/84/35/166088435.db2.gz UOKLKSGUEOEPNY-UHFFFAOYSA-N 1 0 183.295 1.945 20 0 ADADRO C1CCC(C[NH2+][C@H]2CCCNC2)CC1 43325403 166088592 /nfs/dbraw/zinc/08/85/92/166088592.db2.gz WBJPEJRFAALDFX-LBPRGKRZSA-N 1 0 196.338 1.908 20 0 ADADRO C1CCC2(C1)CCC[C@H]2[NH2+]C1CNC1 335625524 166089080 /nfs/dbraw/zinc/08/90/80/166089080.db2.gz SYNYCKQPNGGLGP-LLVKDONJSA-N 1 0 194.322 1.661 20 0 ADADRO C1CCC[NH+](C[C@H]2COCCO2)CC1 335744804 166089230 /nfs/dbraw/zinc/08/92/30/166089230.db2.gz JWGHXAXUYAYNKS-NSHDSACASA-N 1 0 199.294 1.278 20 0 ADADRO C1CCC[NH+](C[C@@H]2COCCO2)CC1 335744803 166089314 /nfs/dbraw/zinc/08/93/14/166089314.db2.gz JWGHXAXUYAYNKS-LLVKDONJSA-N 1 0 199.294 1.278 20 0 ADADRO C1CCC(c2noc([C@H]3CC[NH2+]3)n2)C1 307374698 166089647 /nfs/dbraw/zinc/08/96/47/166089647.db2.gz YDKAUUGZCAAOKI-MRVPVSSYSA-N 1 0 193.250 1.762 20 0 ADADRO C1CCC2(C1)CC[C@H]2NC1C[NH2+]C1 335624995 166089651 /nfs/dbraw/zinc/08/96/51/166089651.db2.gz PDBUPHKGJVRHNL-SNVBAGLBSA-N 1 0 180.295 1.271 20 0 ADADRO C1CCC2(C1)CCC[C@@H]2[NH2+]C1CNC1 335625525 166089667 /nfs/dbraw/zinc/08/96/67/166089667.db2.gz SYNYCKQPNGGLGP-NSHDSACASA-N 1 0 194.322 1.661 20 0 ADADRO C1CCC2(C1)CC[C@@H]2NC1C[NH2+]C1 335624994 166089728 /nfs/dbraw/zinc/08/97/28/166089728.db2.gz PDBUPHKGJVRHNL-JTQLQIEISA-N 1 0 180.295 1.271 20 0 ADADRO C1CCC[NH+](C[C@H]2CCOC2)CC1 306373445 166089744 /nfs/dbraw/zinc/08/97/44/166089744.db2.gz SKWGXKNWWPEPKM-LLVKDONJSA-N 1 0 183.295 1.899 20 0 ADADRO C1CCCC(C[NH+]2CCNCC2)CC1 53714516 166090246 /nfs/dbraw/zinc/09/02/46/166090246.db2.gz YOKGTUYPTJSEIG-UHFFFAOYSA-N 1 0 196.338 1.862 20 0 ADADRO C1CCC[NH+](C[C@@H]2CCOC2)CC1 306373447 166090393 /nfs/dbraw/zinc/09/03/93/166090393.db2.gz SKWGXKNWWPEPKM-NSHDSACASA-N 1 0 183.295 1.899 20 0 ADADRO C1CC[C@@H](C[NH2+]CC2CC2)NC1 40409422 166090860 /nfs/dbraw/zinc/09/08/60/166090860.db2.gz IMNDGIWMLKDMDD-JTQLQIEISA-N 1 0 168.284 1.128 20 0 ADADRO C1CC[NH+]([C@H]2CCCOC2)CC1 33824996 166090949 /nfs/dbraw/zinc/09/09/49/166090949.db2.gz BMUNIIPALKBYAG-JTQLQIEISA-N 1 0 169.268 1.651 20 0 ADADRO C1CC[NH+](C[C@H]2CCCO2)CC1 38637625 166091007 /nfs/dbraw/zinc/09/10/07/166091007.db2.gz IHZVGLCONDEBNK-SNVBAGLBSA-N 1 0 169.268 1.651 20 0 ADADRO C1CC[NH+](CC2CCOCC2)C1 306328891 166091092 /nfs/dbraw/zinc/09/10/92/166091092.db2.gz OAUZWXVITMUEKT-UHFFFAOYSA-N 1 0 169.268 1.509 20 0 ADADRO C1CC[C@@H](C[NH2+]C2CCOCC2)OC1 36319650 166091158 /nfs/dbraw/zinc/09/11/58/166091158.db2.gz DSORJKFDQUPDKP-NSHDSACASA-N 1 0 199.294 1.324 20 0 ADADRO C1CCN(CC[NH2+]CC2CC2)CC1 37478522 166091179 /nfs/dbraw/zinc/09/11/79/166091179.db2.gz ZHRNDWAHSFFIMV-UHFFFAOYSA-N 1 0 182.311 1.472 20 0 ADADRO C1CC[C@@H](C[NH2+]C2CCC2)NC1 52212298 166091297 /nfs/dbraw/zinc/09/12/97/166091297.db2.gz YOHLISNGAAFDNS-JTQLQIEISA-N 1 0 168.284 1.271 20 0 ADADRO C1CC[NH+](CC[C@H]2CCOC2)C1 306454184 166091316 /nfs/dbraw/zinc/09/13/16/166091316.db2.gz YZHNZHULYBKJSB-JTQLQIEISA-N 1 0 169.268 1.509 20 0 ADADRO C1CC[C@@H](CC2CCOCC2)[NH2+]C1 62772384 166091666 /nfs/dbraw/zinc/09/16/66/166091666.db2.gz YZUMNLNPOPZJBU-NSHDSACASA-N 1 0 183.295 1.945 20 0 ADADRO C1CC[C@@H](C[N@@H+]2CCCOCC2)OC1 336555464 166091794 /nfs/dbraw/zinc/09/17/94/166091794.db2.gz HTRJJNLCQKBLGL-NSHDSACASA-N 1 0 199.294 1.278 20 0 ADADRO C1CCC[C@H]2[NH2+][C@@H]2CC1 5413455 166091894 /nfs/dbraw/zinc/09/18/94/166091894.db2.gz XJWSHYQHALGTIV-HTQZYQBOSA-N 1 0 125.215 1.681 20 0 in-vitro ADADRO C1CC[NH+](CC[C@@H]2CCOC2)C1 306454186 166092055 /nfs/dbraw/zinc/09/20/55/166092055.db2.gz YZHNZHULYBKJSB-SNVBAGLBSA-N 1 0 169.268 1.509 20 0 ADADRO C1CC[NH+]([C@@H]2CCCOC2)CC1 33824994 166092073 /nfs/dbraw/zinc/09/20/73/166092073.db2.gz BMUNIIPALKBYAG-SNVBAGLBSA-N 1 0 169.268 1.651 20 0 ADADRO C1CC[NH+](C[C@@H]2CCCOC2)CC1 336552353 166092074 /nfs/dbraw/zinc/09/20/74/166092074.db2.gz LYIBIJWRFOCUFY-NSHDSACASA-N 1 0 183.295 1.899 20 0 ADADRO C1CCC[C@@H]2[NH2+][C@H]2CC1 5413459 166092117 /nfs/dbraw/zinc/09/21/17/166092117.db2.gz XJWSHYQHALGTIV-YUMQZZPRSA-N 1 0 125.215 1.681 20 0 in-vitro ADADRO C1CC[NH+](C[C@H]2CCCOC2)CC1 336552352 166092154 /nfs/dbraw/zinc/09/21/54/166092154.db2.gz LYIBIJWRFOCUFY-LLVKDONJSA-N 1 0 183.295 1.899 20 0 ADADRO C1CCN2CC[N@@H+](CC3CC3)C[C@H]2C1 227349801 166092305 /nfs/dbraw/zinc/09/23/05/166092305.db2.gz YVADMADTHLPXGP-GFCCVEGCSA-N 1 0 194.322 1.567 20 0 ADADRO C1CC[NH+](C[C@@H]2CCCO2)CC1 38637623 166092459 /nfs/dbraw/zinc/09/24/59/166092459.db2.gz IHZVGLCONDEBNK-JTQLQIEISA-N 1 0 169.268 1.651 20 0 ADADRO C1CCC[C@H]2[NH2+][C@H]2CC1 5413454 166092532 /nfs/dbraw/zinc/09/25/32/166092532.db2.gz XJWSHYQHALGTIV-OCAPTIKFSA-N 1 0 125.215 1.681 20 0 in-vitro ADADRO C1CC[C@@H](CC[C@H]2CCOC2)[NH2+]C1 51691226 166092583 /nfs/dbraw/zinc/09/25/83/166092583.db2.gz XCFIUPUYFFBCCH-QWRGUYRKSA-N 1 0 183.295 1.945 20 0 ADADRO C1CC[C@@H](C[NH2+]C2CCCC2)NC1 40408788 166092615 /nfs/dbraw/zinc/09/26/15/166092615.db2.gz BLYMSQPPVRFLNB-NSHDSACASA-N 1 0 182.311 1.661 20 0 ADADRO C1CC[C@@H](C[NH+]2CCCC2)OC1 306202915 166092917 /nfs/dbraw/zinc/09/29/17/166092917.db2.gz QLZUILCATNQJHJ-JTQLQIEISA-N 1 0 169.268 1.651 20 0 ADADRO C1CC[C@@H](CC[C@@H]2CCOC2)[NH2+]C1 51691222 166092942 /nfs/dbraw/zinc/09/29/42/166092942.db2.gz XCFIUPUYFFBCCH-MNOVXSKESA-N 1 0 183.295 1.945 20 0 ADADRO C1CCc2c([nH+]c3n2CCN3)C1 72417361 166093031 /nfs/dbraw/zinc/09/30/31/166093031.db2.gz UFRMYCSRZNDYGE-UHFFFAOYSA-N 1 0 163.224 1.187 20 0 ADADRO C1CC[C@H](C[N@@H+]2CCCOCC2)OC1 336555463 166093070 /nfs/dbraw/zinc/09/30/70/166093070.db2.gz HTRJJNLCQKBLGL-LLVKDONJSA-N 1 0 199.294 1.278 20 0 ADADRO C1CC[C@H](C[NH2+]C2CCCC2)NC1 40408792 166093498 /nfs/dbraw/zinc/09/34/98/166093498.db2.gz BLYMSQPPVRFLNB-LLVKDONJSA-N 1 0 182.311 1.661 20 0 ADADRO C1CC[C@@]2(CC[NH2+]C2)C2(C1)OCCO2 83282211 166093551 /nfs/dbraw/zinc/09/35/51/166093551.db2.gz UGTMRISFVGEPEY-JTQLQIEISA-N 1 0 197.278 1.283 20 0 ADADRO C1CC[C@H](C[NH2+]C2CCC2)NC1 52212301 166093663 /nfs/dbraw/zinc/09/36/63/166093663.db2.gz YOHLISNGAAFDNS-SNVBAGLBSA-N 1 0 168.284 1.271 20 0 ADADRO C1CC[C@H](C[NH+]2CCCC2)OC1 306202916 166093840 /nfs/dbraw/zinc/09/38/40/166093840.db2.gz QLZUILCATNQJHJ-SNVBAGLBSA-N 1 0 169.268 1.651 20 0 ADADRO C1CC[C@H](C[NH2+]CC2CC2)NC1 40409426 166093849 /nfs/dbraw/zinc/09/38/49/166093849.db2.gz IMNDGIWMLKDMDD-SNVBAGLBSA-N 1 0 168.284 1.128 20 0 ADADRO C1CC[C@H](C[NH2+]C2CCOCC2)OC1 36319651 166094086 /nfs/dbraw/zinc/09/40/86/166094086.db2.gz DSORJKFDQUPDKP-LLVKDONJSA-N 1 0 199.294 1.324 20 0 ADADRO C1CC[C@@H]2[NH2+][C@H]2CC1 32195268 166094126 /nfs/dbraw/zinc/09/41/26/166094126.db2.gz YEHCKZHFJYGXMS-BQBZGAKWSA-N 1 0 111.188 1.291 20 0 in-vitro ADADRO C1CC[C@H](CC2CCOCC2)[NH2+]C1 62772385 166094173 /nfs/dbraw/zinc/09/41/73/166094173.db2.gz YZUMNLNPOPZJBU-LLVKDONJSA-N 1 0 183.295 1.945 20 0 ADADRO C1CCc2c([nH+]c3n2CCCN3)C1 72417358 166094436 /nfs/dbraw/zinc/09/44/36/166094436.db2.gz WKGXGEOWIHUSPV-UHFFFAOYSA-N 1 0 177.251 1.578 20 0 ADADRO C1CC[C@H](CC[C@H]2CCOC2)[NH2+]C1 51691228 166094658 /nfs/dbraw/zinc/09/46/58/166094658.db2.gz XCFIUPUYFFBCCH-WDEREUQCSA-N 1 0 183.295 1.945 20 0 ADADRO C1CC[C@H](CC[C@@H]2CCOC2)[NH2+]C1 51691224 166094677 /nfs/dbraw/zinc/09/46/77/166094677.db2.gz XCFIUPUYFFBCCH-GHMZBOCLSA-N 1 0 183.295 1.945 20 0 ADADRO C1CC[C@H]2[NH2+][C@@H]2CC1 32195267 166094882 /nfs/dbraw/zinc/09/48/82/166094882.db2.gz YEHCKZHFJYGXMS-RNFRBKRXSA-N 1 0 111.188 1.291 20 0 in-vitro ADADRO C1CC[C@]2(CC[NH2+]C2)C2(C1)OCCO2 83282212 166095011 /nfs/dbraw/zinc/09/50/11/166095011.db2.gz UGTMRISFVGEPEY-SNVBAGLBSA-N 1 0 197.278 1.283 20 0 ADADRO C1CC[C@@H]2[NH2+][C@@H]2CC1 32195264 166095131 /nfs/dbraw/zinc/09/51/31/166095131.db2.gz YEHCKZHFJYGXMS-KNVOCYPGSA-N 1 0 111.188 1.291 20 0 in-vitro ADADRO C1C[N@@H+](CCC2CC2)C2(CC2)CO1 306801919 166095309 /nfs/dbraw/zinc/09/53/09/166095309.db2.gz SFALTDMZWZMXQK-UHFFFAOYSA-N 1 0 181.279 1.651 20 0 ADADRO C1C[NH+](CC23CCC(CC2)C3)CCO1 335491722 166095325 /nfs/dbraw/zinc/09/53/25/166095325.db2.gz FPPPZYNKMPWDJY-UHFFFAOYSA-N 1 0 195.306 1.899 20 0 ADADRO C1C[NH+](C[C@H]2CCSC2)CCO1 306444806 166095594 /nfs/dbraw/zinc/09/55/94/166095594.db2.gz PMRCGFKEOOMSLC-SECBINFHSA-N 1 0 187.308 1.072 20 0 ADADRO C1C[N@@H+](CC2CC2)[C@@H](C2CC2)CO1 306480660 166095649 /nfs/dbraw/zinc/09/56/49/166095649.db2.gz KTMKCDCYMXGHTP-LLVKDONJSA-N 1 0 181.279 1.507 20 0 ADADRO C1C[N@@H+](C[C@@H]2CCOC2)CC2(C1)CC2 335746772 166095796 /nfs/dbraw/zinc/09/57/96/166095796.db2.gz OKTJMZXSNVGQHU-NSHDSACASA-N 1 0 195.306 1.899 20 0 ADADRO C1C[N@@H+](CCC2CC2)CC2(CC2)CO1 335315104 166096012 /nfs/dbraw/zinc/09/60/12/166096012.db2.gz CALUDVCLFYBOSI-UHFFFAOYSA-N 1 0 195.306 1.899 20 0 ADADRO C1C[NH+](CCC2CC2)CCS1 335530915 166096030 /nfs/dbraw/zinc/09/60/30/166096030.db2.gz PLLIYOULTLXSCP-UHFFFAOYSA-N 1 0 171.309 1.835 20 0 ADADRO C1C[N@@H+](C[C@H]2CCOC2)CC2(C1)CC2 335746771 166096237 /nfs/dbraw/zinc/09/62/37/166096237.db2.gz OKTJMZXSNVGQHU-LLVKDONJSA-N 1 0 195.306 1.899 20 0 ADADRO C1C[N@@H+](CC2CC2)[C@H](C2CC2)CO1 306480669 166096247 /nfs/dbraw/zinc/09/62/47/166096247.db2.gz KTMKCDCYMXGHTP-NSHDSACASA-N 1 0 181.279 1.507 20 0 ADADRO C1C[NH+](CC2CC2)CCS1 334312599 166096293 /nfs/dbraw/zinc/09/62/93/166096293.db2.gz UEIZHVCSUDEWCZ-UHFFFAOYSA-N 1 0 157.282 1.445 20 0 ADADRO C1C[NH+](C[C@@H]2CCSC2)CCO1 306444807 166096366 /nfs/dbraw/zinc/09/63/66/166096366.db2.gz PMRCGFKEOOMSLC-VIFPVBQESA-N 1 0 187.308 1.072 20 0 ADADRO C1C[NH2+]C[C@H](CC2CCOCC2)C1 68958208 166096902 /nfs/dbraw/zinc/09/69/02/166096902.db2.gz KIYFBFODLKVKSY-NSHDSACASA-N 1 0 183.295 1.803 20 0 ADADRO C1C[NH2+][C@H](c2noc(C3CC3)n2)C1 70947235 166096912 /nfs/dbraw/zinc/09/69/12/166096912.db2.gz UGFFSFDBYPZUBX-ZETCQYMHSA-N 1 0 179.223 1.372 20 0 ADADRO C1CNC[C@H]([NH2+][C@H]2CCC23CCC3)C1 335181350 166096922 /nfs/dbraw/zinc/09/69/22/166096922.db2.gz OWXBCAUAQZUSBM-MNOVXSKESA-N 1 0 194.322 1.661 20 0 ADADRO C1C[NH2+][C@@H](Cc2nc(C3CC3)no2)C1 42164100 166097033 /nfs/dbraw/zinc/09/70/33/166097033.db2.gz QZZAIGFLFRVKJD-MRVPVSSYSA-N 1 0 193.250 1.242 20 0 ADADRO C1C[NH2+][C@@H](c2noc(C3CC3)n2)C1 70947234 166097200 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CC(C)(C)CNC(=O)C(C)(C)C[NH3+] 44751861 166354659 /nfs/dbraw/zinc/35/46/59/166354659.db2.gz LZNFDEPPARYSOP-UHFFFAOYSA-N 1 0 186.299 1.134 20 0 ADADRO CC(C)(C)C[NH2+][C@H]1CCCNC1 43327435 166354724 /nfs/dbraw/zinc/35/47/24/166354724.db2.gz HSXSSCUJZUJQRI-VIFPVBQESA-N 1 0 170.300 1.374 20 0 ADADRO CC(C)(C)C[NH2+][C@@H]1CCCNC1 43327434 166354759 /nfs/dbraw/zinc/35/47/59/166354759.db2.gz HSXSSCUJZUJQRI-SECBINFHSA-N 1 0 170.300 1.374 20 0 ADADRO CC(C)(C)CNC(=O)CC[NH2+]C1CC1 40494445 166354768 /nfs/dbraw/zinc/35/47/68/166354768.db2.gz CDXYDGTXRYTHSZ-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)(C)C[NH2+]Cc1csnn1 40492882 166354824 /nfs/dbraw/zinc/35/48/24/166354824.db2.gz YZNVTXZTOSHYTJ-UHFFFAOYSA-N 1 0 185.296 1.674 20 0 ADADRO CC(C)(C)C[NH2+]C[C@H]1CCOC1 40492620 166355044 /nfs/dbraw/zinc/35/50/44/166355044.db2.gz SZFLAQZNFVJICF-SECBINFHSA-N 1 0 171.284 1.659 20 0 ADADRO CC(C)(C)CNC(=O)[C@H]1CCCC[NH2+]1 40494298 166355048 /nfs/dbraw/zinc/35/50/48/166355048.db2.gz 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/nfs/dbraw/zinc/35/60/86/166356086.db2.gz BHMNIFHNRSGALX-BQBZGAKWSA-N 1 0 127.231 1.770 20 0 ADADRO CC(C)(C)C[C@H]1C[C@@H]1[NH3+] 61840641 166357420 /nfs/dbraw/zinc/35/74/20/166357420.db2.gz BHMNIFHNRSGALX-RQJHMYQMSA-N 1 0 127.231 1.770 20 0 ADADRO CC(C)(C)C[C@@H](O)CC[NH3+] 82839870 166357489 /nfs/dbraw/zinc/35/74/89/166357489.db2.gz QXTDSFUXQXFVLS-ZETCQYMHSA-N 1 0 145.246 1.132 20 0 ADADRO CC(C)(C)Cc1nc(CC[NH3+])no1 41061991 166357733 /nfs/dbraw/zinc/35/77/33/166357733.db2.gz WBZQHFPTGFIAOF-UHFFFAOYSA-N 1 0 183.255 1.159 20 0 ADADRO CC(C)(C)NC(=[NH2+])NC[C@@H]1CCCO1 52041417 166358582 /nfs/dbraw/zinc/35/85/82/166358582.db2.gz XUXZKSNUGUQLLX-QMMMGPOBSA-N 1 0 199.298 1.078 20 0 ADADRO CC(C)(C)NC(=[NH2+])NCC1CC1 52040780 166359544 /nfs/dbraw/zinc/35/95/44/166359544.db2.gz ZEARXYIWXMOFBB-UHFFFAOYSA-N 1 0 169.272 1.309 20 0 ADADRO CC(C)(C)NC(=[NH2+])N[C@H]1CC1(C)C 52043787 166359800 /nfs/dbraw/zinc/35/98/00/166359800.db2.gz RXUAIFPJRFPHQL-ZETCQYMHSA-N 1 0 183.299 1.697 20 0 ADADRO CC(C)(C)NC(=[NH2+])NCc1ccco1 52040674 166360414 /nfs/dbraw/zinc/36/04/14/166360414.db2.gz CNPIYNOHYFPMHE-UHFFFAOYSA-N 1 0 195.266 1.692 20 0 ADADRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC1CC1 133666656 343924417 /nfs/dbraw/zinc/92/44/17/343924417.db2.gz VKWCOACNJXTKCD-WPRPVWTQSA-N 1 0 196.294 1.125 20 0 ADADRO CC(C)(C)NC(=[NH2+])NC[C@H]1CCCO1 52041419 166360581 /nfs/dbraw/zinc/36/05/81/166360581.db2.gz XUXZKSNUGUQLLX-MRVPVSSYSA-N 1 0 199.298 1.078 20 0 ADADRO CC(C)(C)NC(=[NH2+])NCC1CCC1 52041604 166360960 /nfs/dbraw/zinc/36/09/60/166360960.db2.gz BSHJZVGNYOCZEF-UHFFFAOYSA-N 1 0 183.299 1.699 20 0 ADADRO CC(C)(C)[NH2+]CC(=O)NC1CCCC1 20056799 166361697 /nfs/dbraw/zinc/36/16/97/166361697.db2.gz RNUIENZREHZFCV-UHFFFAOYSA-N 1 0 198.310 1.433 20 0 ADADRO CC(C)(C)[NH2+]CCC(=O)NC1CCC1 52211016 166361705 /nfs/dbraw/zinc/36/17/05/166361705.db2.gz MNKSYIFNUILCNC-UHFFFAOYSA-N 1 0 198.310 1.433 20 0 ADADRO CC(C)(C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 19408205 166361920 /nfs/dbraw/zinc/36/19/20/166361920.db2.gz FIQFGSDUBLABJH-DTWKUNHWSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)(C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 19408203 166362573 /nfs/dbraw/zinc/36/25/73/166362573.db2.gz FIQFGSDUBLABJH-RKDXNWHRSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)(C)NC(=O)CCCCC[NH3+] 19482535 166362770 /nfs/dbraw/zinc/36/27/70/166362770.db2.gz OHLIXVPWQRMCJN-UHFFFAOYSA-N 1 0 186.299 1.420 20 0 ADADRO CC(C)(C)[NH2+]CC1CC1 36324943 166362982 /nfs/dbraw/zinc/36/29/82/166362982.db2.gz AYXWUFRPWLUZNM-UHFFFAOYSA-N 1 0 127.231 1.785 20 0 ADADRO CC(C)(C)NC(=O)C[C@@H]1CCC[NH2+]1 42165301 166363015 /nfs/dbraw/zinc/36/30/15/166363015.db2.gz CEMHKUFZWSCTJS-QMMMGPOBSA-N 1 0 184.283 1.043 20 0 ADADRO CC(C)(C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 19408207 166363034 /nfs/dbraw/zinc/36/30/34/166363034.db2.gz FIQFGSDUBLABJH-BDAKNGLRSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)(C)[NH2+]CC1(O)CCCC1 55029597 166363065 /nfs/dbraw/zinc/36/30/65/166363065.db2.gz SQJVWFRKAJAFCS-UHFFFAOYSA-N 1 0 171.284 1.680 20 0 ADADRO CC(C)(C)[NH2+]CCC(=O)N1CCCC1 37482612 166363290 /nfs/dbraw/zinc/36/32/90/166363290.db2.gz CGTIAPHUUMEJOS-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO CC(C)(C)NC(=O)CC1CC[NH2+]CC1 19489293 166363434 /nfs/dbraw/zinc/36/34/34/166363434.db2.gz VBKQKLJKJDBLOP-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)(C)NC(=O)C[NH2+]C(C)(C)C 20056730 166363513 /nfs/dbraw/zinc/36/35/13/166363513.db2.gz JTKYAFWKJXJZLD-UHFFFAOYSA-N 1 0 186.299 1.289 20 0 ADADRO CC(C)(C)NC(=O)C[C@H]1CCC[NH2+]1 42165302 166363582 /nfs/dbraw/zinc/36/35/82/166363582.db2.gz CEMHKUFZWSCTJS-MRVPVSSYSA-N 1 0 184.283 1.043 20 0 ADADRO CC(C)(C)NC(=O)c1coc(C[NH3+])c1 306657014 166363860 /nfs/dbraw/zinc/36/38/60/166363860.db2.gz HNCZZXDBIXVDHG-UHFFFAOYSA-N 1 0 196.250 1.267 20 0 ADADRO CC(C)(C)NC(=O)c1ccc(C[NH3+])o1 11628063 166364079 /nfs/dbraw/zinc/36/40/79/166364079.db2.gz OUROBHFJVHQYJF-UHFFFAOYSA-N 1 0 196.250 1.267 20 0 ADADRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC1CC1 133666063 343924441 /nfs/dbraw/zinc/92/44/41/343924441.db2.gz VKWCOACNJXTKCD-PSASIEDQSA-N 1 0 196.294 1.125 20 0 ADADRO CC(C)(C)[NH2+]C[C@H]1CCC[NH2+]1 40398066 166364472 /nfs/dbraw/zinc/36/44/72/166364472.db2.gz VJMNZJDGHQJERT-MRVPVSSYSA-N 1 0 156.273 1.127 20 0 ADADRO CC(C)(C)[NH2+]CC[C@H]1CCOC1 53302684 166364531 /nfs/dbraw/zinc/36/45/31/166364531.db2.gz LKMVNBHPKFWMMR-VIFPVBQESA-N 1 0 171.284 1.801 20 0 ADADRO CC(C)(C)[NH2+]CCN1CCCC1 41168361 166365433 /nfs/dbraw/zinc/36/54/33/166365433.db2.gz NJXPJLHVGCHSDR-UHFFFAOYSA-N 1 0 170.300 1.470 20 0 ADADRO CC(C)(C)[NH2+]Cc1ccon1 41670960 166365652 /nfs/dbraw/zinc/36/56/52/166365652.db2.gz RMPOIQKXLKDDSX-UHFFFAOYSA-N 1 0 154.213 1.563 20 0 ADADRO CC(C)(C)[NH2+]Cc1ccc(=O)[nH]c1 83340498 166365869 /nfs/dbraw/zinc/36/58/69/166365869.db2.gz BLEIZCASXNMCJD-UHFFFAOYSA-N 1 0 180.251 1.263 20 0 ADADRO CC(C)(C)[NH2+]C[C@@H]1CCCCN1 40398074 166366020 /nfs/dbraw/zinc/36/60/20/166366020.db2.gz SETGEOGAIGAPNH-VIFPVBQESA-N 1 0 170.300 1.517 20 0 ADADRO CC(C)(C)[NH2+]Cc1ccc(CO)o1 81546707 166366042 /nfs/dbraw/zinc/36/60/42/166366042.db2.gz WTCYDJXUFWZUAE-UHFFFAOYSA-N 1 0 183.251 1.660 20 0 ADADRO CC(C)(C)NNC(=[NH2+])C1CC1 390822024 166366257 /nfs/dbraw/zinc/36/62/57/166366257.db2.gz LGBTVKTVHNRUOE-UHFFFAOYSA-N 1 0 155.245 1.266 20 0 ADADRO CC(C)(C)[NH2+]CC[C@@H]1CCOC1 53302682 166366554 /nfs/dbraw/zinc/36/65/54/166366554.db2.gz LKMVNBHPKFWMMR-SECBINFHSA-N 1 0 171.284 1.801 20 0 ADADRO CC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 40398072 166366652 /nfs/dbraw/zinc/36/66/52/166366652.db2.gz ABEOUIRYXNKKET-VIFPVBQESA-N 1 0 170.300 1.374 20 0 ADADRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC1CC1 133666450 343924461 /nfs/dbraw/zinc/92/44/61/343924461.db2.gz VKWCOACNJXTKCD-SCZZXKLOSA-N 1 0 196.294 1.125 20 0 ADADRO CC(C)(C)OC(=O)NC/C=C\C[NH3+] 39094534 166368122 /nfs/dbraw/zinc/36/81/22/166368122.db2.gz BWNIUPOJWUXWMX-PLNGDYQASA-N 1 0 186.255 1.026 20 0 in-vitro ADADRO CC(C)(C)OC(=O)C(C)(C)CC[NH3+] 328579521 166369457 /nfs/dbraw/zinc/36/94/57/166369457.db2.gz NCZATBPIZHRPEE-UHFFFAOYSA-N 1 0 187.283 1.703 20 0 ADADRO CC(C)(C)OC(=O)[C@]1(C)CCC[NH2+]1 70618293 166369863 /nfs/dbraw/zinc/36/98/63/166369863.db2.gz WAOBLRSJQYXNJU-JTQLQIEISA-N 1 0 185.267 1.470 20 0 ADADRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1[NH3+] 34076106 166369975 /nfs/dbraw/zinc/36/99/75/166369975.db2.gz TUOXUKFPVXCENT-SFYZADRCSA-N 1 0 185.267 1.456 20 0 ADADRO CC(C)(C)O[C@@H]1CCC[NH2+]C1 39017342 166372375 /nfs/dbraw/zinc/37/23/75/166372375.db2.gz RSMXSKJUTTWWLA-MRVPVSSYSA-N 1 0 157.257 1.554 20 0 ADADRO CC(C)(C)Oc1ccc(C(N)=[NH2+])cn1 20516585 166373341 /nfs/dbraw/zinc/37/33/41/166373341.db2.gz TUBCSPBAZOTZFN-UHFFFAOYSA-N 1 0 193.250 1.543 20 0 in-vitro ADADRO CC(C)(C)O[C@H]1CCC[NH2+]C1 39017343 166373384 /nfs/dbraw/zinc/37/33/84/166373384.db2.gz RSMXSKJUTTWWLA-QMMMGPOBSA-N 1 0 157.257 1.554 20 0 ADADRO CC(C)(C)OC[C@H]1CCC[NH2+]1 38995713 166373577 /nfs/dbraw/zinc/37/35/77/166373577.db2.gz VWXSCKOHAKPRKK-MRVPVSSYSA-N 1 0 157.257 1.554 20 0 ADADRO CC(C)(C)OCC1([NH3+])CCOCC1 14806881 166373640 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CC(C)(C)[C@@H]1CCC[N@H+](CCO)C1 307402281 166376821 /nfs/dbraw/zinc/37/68/21/166376821.db2.gz AOWQGQFPBCQSKV-SNVBAGLBSA-N 1 0 185.311 1.737 20 0 ADADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCO 108289671 166377038 /nfs/dbraw/zinc/37/70/38/166377038.db2.gz ZIEWKORDJAOBRS-VIFPVBQESA-N 1 0 171.284 1.489 20 0 ADADRO CC(C)(C)[C@H]([NH3+])C1CC1 52231920 166378160 /nfs/dbraw/zinc/37/81/60/166378160.db2.gz FOZVQLXEVQCVIO-SSDOTTSWSA-N 1 0 127.231 1.770 20 0 ADADRO CC(C)(C)[C@H](CO)[NH2+]CC1CC1 41052015 166378378 /nfs/dbraw/zinc/37/83/78/166378378.db2.gz LKSLEYCKFQJXOS-VIFPVBQESA-N 1 0 171.284 1.393 20 0 ADADRO CC(C)(C)[C@H]([NH3+])C(=O)NCC1CCC1 40459604 166378941 /nfs/dbraw/zinc/37/89/41/166378941.db2.gz XTCQVDLIUHVBJN-SECBINFHSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)(C)[C@H]([NH3+])C(=O)N1CCCCC1 40458611 166378945 /nfs/dbraw/zinc/37/89/45/166378945.db2.gz VUVMUUMQNIGEMO-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)(C)[C@H]([NH3+])C(=O)NC1CCCC1 40457803 166379109 /nfs/dbraw/zinc/37/91/09/166379109.db2.gz CBIRNINIDNJBAN-SECBINFHSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)(C)[C@H]([NH3+])C(=O)NC1CCC1 52210838 166379373 /nfs/dbraw/zinc/37/93/73/166379373.db2.gz OXMJXLRXHLLNCV-MRVPVSSYSA-N 1 0 184.283 1.029 20 0 ADADRO CC(C)(C)[C@H](O)C(C)(C)C[NH3+] 17425342 166379690 /nfs/dbraw/zinc/37/96/90/166379690.db2.gz WAHCOXGUPUJDNQ-ZETCQYMHSA-N 1 0 159.273 1.378 20 0 ADADRO CC(C)(C)[C@H](O)C[NH+]1CCCCC1 40538785 166379866 /nfs/dbraw/zinc/37/98/66/166379866.db2.gz OOTYBPZITJJUIF-SNVBAGLBSA-N 1 0 185.311 1.879 20 0 ADADRO CC(C)(C)[C@H]1C[NH2+]CCN1C1CC1 77270302 166380931 /nfs/dbraw/zinc/38/09/31/166380931.db2.gz OYVOCNNUESGORL-SNVBAGLBSA-N 1 0 182.311 1.469 20 0 ADADRO CC(C)(C)[C@H]1CCC[N@@H+]1CCO 108289674 166380950 /nfs/dbraw/zinc/38/09/50/166380950.db2.gz ZIEWKORDJAOBRS-SECBINFHSA-N 1 0 171.284 1.489 20 0 ADADRO CC(C)(C)[C@H]1CC[N@H+](CCO)C1 108289663 166380987 /nfs/dbraw/zinc/38/09/87/166380987.db2.gz SGXNXTKNTBVFPA-VIFPVBQESA-N 1 0 171.284 1.347 20 0 ADADRO CC(C)(C)[C@H]1CCC[N@H+](CCO)C1 307402268 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20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@@H](C)CCCO 87358146 166571059 /nfs/dbraw/zinc/57/10/59/166571059.db2.gz HRCKIXLKZADRPY-VHSXEESVSA-N 1 0 173.300 1.782 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@@H](C)CO 35603137 166571081 /nfs/dbraw/zinc/57/10/81/166571081.db2.gz CKHJRQGXPRKOQE-JGVFFNPUSA-N 1 0 145.246 1.001 20 0 ADADRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)O 35601905 166571650 /nfs/dbraw/zinc/57/16/50/166571650.db2.gz ZRQQQPCOWOCCSG-HTQZYQBOSA-N 1 0 145.246 1.001 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@H]1CCC[C@@H]1O 37490146 166571828 /nfs/dbraw/zinc/57/18/28/166571828.db2.gz VGZSRTRCQTWYGW-UTLUCORTSA-N 1 0 171.284 1.534 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CC[C@H](C)O 82993802 166572653 /nfs/dbraw/zinc/57/26/53/166572653.db2.gz QVHRJLFRFFTYRO-DTWKUNHWSA-N 1 0 159.273 1.391 20 0 ADADRO CC(C)[C@@H](C[NH3+])c1ccccn1 82851070 166574565 /nfs/dbraw/zinc/57/45/65/166574565.db2.gz PHRUNLGDYHRUHR-SECBINFHSA-N 1 0 164.252 1.780 20 0 ADADRO CC(C)[C@@H]([NH3+])CNCc1nccs1 49538953 166576372 /nfs/dbraw/zinc/57/63/72/166576372.db2.gz OZHUEVCABHYNED-QMMMGPOBSA-N 1 0 199.323 1.216 20 0 ADADRO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C=CCCC1 306306871 166576567 /nfs/dbraw/zinc/57/65/67/166576567.db2.gz FORUKXYDUATGRM-VHSXEESVSA-N 1 0 196.294 1.195 20 0 ADADRO CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC1 36785749 166577871 /nfs/dbraw/zinc/57/78/71/166577871.db2.gz DCDZVPAZSYROGI-PSASIEDQSA-N 1 0 198.310 1.227 20 0 ADADRO CC(C)[C@@H]([NH3+])CNc1ccccn1 70010473 166578550 /nfs/dbraw/zinc/57/85/50/166578550.db2.gz KMNBKGQLDZDLON-VIFPVBQESA-N 1 0 179.267 1.477 20 0 ADADRO CC(C)[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 307499445 166581963 /nfs/dbraw/zinc/58/19/63/166581963.db2.gz LXZSXFOJBHMKIH-NSHDSACASA-N 1 0 197.322 1.879 20 0 ADADRO CC(C)[C@@H]1CC[C@H](C)[NH2+]1 34268573 166585814 /nfs/dbraw/zinc/58/58/14/166585814.db2.gz BEJRBFAMOYPEQZ-YUMQZZPRSA-N 1 0 127.231 1.783 20 0 ADADRO CC(C)[C@@H]1C[C@H]1CNC1=[NH+]CCCN1 334860845 166592027 /nfs/dbraw/zinc/59/20/27/166592027.db2.gz HFBOGBHALZKHBK-UWVGGRQHSA-N 1 0 195.310 1.217 20 0 ADADRO CC(C)[C@H](C)[NH2+]C1CCOCC1 36304595 166600637 /nfs/dbraw/zinc/60/06/37/166600637.db2.gz QZHZHYZTGJKRAP-VIFPVBQESA-N 1 0 171.284 1.800 20 0 ADADRO CC(C)[C@H](C)[NH2+]CC[C@H](C)O 82993804 166601915 /nfs/dbraw/zinc/60/19/15/166601915.db2.gz QVHRJLFRFFTYRO-IUCAKERBSA-N 1 0 159.273 1.391 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCO1 19963637 166602469 /nfs/dbraw/zinc/60/24/69/166602469.db2.gz AOTSVCCQPBOLDE-UWVGGRQHSA-N 1 0 171.284 1.800 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@H]1CCOC1 34958847 166602896 /nfs/dbraw/zinc/60/28/96/166602896.db2.gz BQWNWXMKBQFYIL-VHSXEESVSA-N 1 0 171.284 1.657 20 0 ADADRO CC(C)[C@H](C)[NH2+]Cc1ncccn1 54459115 166603547 /nfs/dbraw/zinc/60/35/47/166603547.db2.gz GWNGUQJVAPZTKY-VIFPVBQESA-N 1 0 179.267 1.611 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C 96033539 166603851 /nfs/dbraw/zinc/60/38/51/166603851.db2.gz DSXWOQCUECRLAY-AEJSXWLSSA-N 1 0 171.284 1.798 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C 96033538 166604048 /nfs/dbraw/zinc/60/40/48/166604048.db2.gz DSXWOQCUECRLAY-LPEHRKFASA-N 1 0 171.284 1.798 20 0 ADADRO CC(C)[C@H](C)[NH2+]Cc1ccnn1C 36901326 166604248 /nfs/dbraw/zinc/60/42/48/166604248.db2.gz DXMHEZRRUXPZFP-VIFPVBQESA-N 1 0 181.283 1.554 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1O 37490147 166604599 /nfs/dbraw/zinc/60/45/99/166604599.db2.gz VGZSRTRCQTWYGW-GUBZILKMSA-N 1 0 171.284 1.534 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@H](C)CO 35603143 166604812 /nfs/dbraw/zinc/60/48/12/166604812.db2.gz CKHJRQGXPRKOQE-SFYZADRCSA-N 1 0 145.246 1.001 20 0 ADADRO CC(C)[C@H](O)C[NH2+]C1CCCC1 55030978 166611743 /nfs/dbraw/zinc/61/17/43/166611743.db2.gz WLWGCPQIDYOXLH-SNVBAGLBSA-N 1 0 171.284 1.536 20 0 ADADRO CC(C)[C@H]1CC[N@@H+]1CC1(O)CCC1 306491717 166614176 /nfs/dbraw/zinc/61/41/76/166614176.db2.gz WHSFGWVZAGGAKD-SNVBAGLBSA-N 1 0 183.295 1.632 20 0 ADADRO CC(C)[C@H]1CN2C[C@H](C(C)C)[NH+]=C2N1 91301255 166616817 /nfs/dbraw/zinc/61/68/17/166616817.db2.gz FFMGOGYMUJDPEN-NXEZZACHSA-N 1 0 195.310 1.310 20 0 ADADRO CC(C)[C@H]1CNCC[N@@H+]1C(C)C 62566578 166617671 /nfs/dbraw/zinc/61/76/71/166617671.db2.gz NMYAADGMNJRDED-SNVBAGLBSA-N 1 0 170.300 1.325 20 0 ADADRO CC(C)c1cnc(NC(=O)C[NH3+])s1 307120448 166637941 /nfs/dbraw/zinc/63/79/41/166637941.db2.gz SYAUGLGJYOIAKR-UHFFFAOYSA-N 1 0 199.279 1.164 20 0 ADADRO CC(C)c1nccn1C[C@H](C)[NH3+] 20261903 166646079 /nfs/dbraw/zinc/64/60/79/166646079.db2.gz PAXARLCEQXZUFX-QMMMGPOBSA-N 1 0 167.256 1.354 20 0 ADADRO CC(C)n1c(C[NH3+])nc2cccnc21 82530350 166648361 /nfs/dbraw/zinc/64/83/61/166648361.db2.gz IOQBJHUDPBMHQF-UHFFFAOYSA-N 1 0 190.250 1.471 20 0 ADADRO CC(C)n1cc(CCC[NH3+])cn1 54680616 166650036 /nfs/dbraw/zinc/65/00/36/166650036.db2.gz WGUSJXKXJUSODY-UHFFFAOYSA-N 1 0 167.256 1.355 20 0 ADADRO CC(C)n1cc2c(n1)[C@H]([NH3+])CCC2 95829400 166651006 /nfs/dbraw/zinc/65/10/06/166651006.db2.gz GXNCFAWCECSKLK-SECBINFHSA-N 1 0 179.267 1.800 20 0 in-vitro ADADRO CC/C=C(/C)C(=O)N1CCC[C@H]([NH3+])C1 41028391 166659316 /nfs/dbraw/zinc/65/93/16/166659316.db2.gz RYWZDCMLSXYMCG-BSKOKIOFSA-N 1 0 196.294 1.292 20 0 ADADRO CC1(C(=O)N2CCC[C@H]([NH3+])C2)CCC1 307510079 166662195 /nfs/dbraw/zinc/66/21/95/166662195.db2.gz KEYOENSPYVHFLU-VIFPVBQESA-N 1 0 196.294 1.126 20 0 ADADRO CC1(C(=O)NCC2([NH3+])CCC2)CCC1 307324901 166662215 /nfs/dbraw/zinc/66/22/15/166662215.db2.gz SINJXIZYFIIURQ-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO CC1(C(=O)NCC[NH3+])CCCCCC1 335498792 166663068 /nfs/dbraw/zinc/66/30/68/166663068.db2.gz VZNFYBMGBWHMTR-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO CC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC1 306624571 166663263 /nfs/dbraw/zinc/66/32/63/166663263.db2.gz FTMYDZMQFRMMNV-SECBINFHSA-N 1 0 196.294 1.045 20 0 ADADRO CC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 306755196 166663730 /nfs/dbraw/zinc/66/37/30/166663730.db2.gz NJVDFNBHNABIHL-IUCAKERBSA-N 1 0 196.294 1.030 20 0 ADADRO CC1(C(=O)Nc2ccsc2)C[NH2+]C1 306959612 166665538 /nfs/dbraw/zinc/66/55/38/166665538.db2.gz XZRZJHYUDZFIMR-UHFFFAOYSA-N 1 0 196.275 1.296 20 0 ADADRO CC1(C)CC([NH2+][C@@H]2C[C@H](O)C2(C)C)C1 306221510 166669244 /nfs/dbraw/zinc/66/92/44/166669244.db2.gz WCZGFIGZOHGYHK-ZJUUUORDSA-N 1 0 197.322 1.924 20 0 ADADRO CC1(C)CC([NH2+]CC2(C)COC2)C1 307630074 166670017 /nfs/dbraw/zinc/67/00/17/166670017.db2.gz XZVPAORVYVBKPC-UHFFFAOYSA-N 1 0 183.295 1.801 20 0 ADADRO CC1(C)CC([NH2+]C[C@H]2CC[C@@H](O)C2)C1 306363704 166670649 /nfs/dbraw/zinc/67/06/49/166670649.db2.gz ZFBZQDJTBBCCKJ-GXSJLCMTSA-N 1 0 197.322 1.926 20 0 ADADRO CC1(C)CCC[C@@H]1[NH2+]C1CNC1 86872776 166671386 /nfs/dbraw/zinc/67/13/86/166671386.db2.gz AGSBCWFIWZBTBN-VIFPVBQESA-N 1 0 168.284 1.127 20 0 ADADRO CC1(C)CCC[C@@H]1CNC(N)=[NH2+] 307626018 166671406 /nfs/dbraw/zinc/67/14/06/166671406.db2.gz HDTXOKRKUXDLDI-SSDOTTSWSA-N 1 0 169.272 1.296 20 0 ADADRO CC1(C)CCC(CNC(N)=[NH2+])CC1 306174109 166672768 /nfs/dbraw/zinc/67/27/68/166672768.db2.gz LOJROGGTJCSNNV-UHFFFAOYSA-N 1 0 183.299 1.686 20 0 ADADRO CC1(C)CCC[C@@H](C(=O)NCC[NH3+])C1 335498687 166673595 /nfs/dbraw/zinc/67/35/95/166673595.db2.gz SWQJVLKOKADODM-SECBINFHSA-N 1 0 198.310 1.278 20 0 ADADRO CC1(C)CCC[C@H](CNC(N)=[NH2+])C1 334862725 166674337 /nfs/dbraw/zinc/67/43/37/166674337.db2.gz RCDWLBLVKNMZOU-QMMMGPOBSA-N 1 0 183.299 1.686 20 0 ADADRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCOC1 86873586 166675313 /nfs/dbraw/zinc/67/53/13/166675313.db2.gz MFOHMSOWZXVBLO-NXEZZACHSA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]CC1(O)CCC1 306383605 166676971 /nfs/dbraw/zinc/67/69/71/166676971.db2.gz QFMQANHMEZXKHX-VIFPVBQESA-N 1 0 183.295 1.680 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 307141664 166678077 /nfs/dbraw/zinc/67/80/77/166678077.db2.gz DHQBJDDIURJBKW-UWVGGRQHSA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCO1 307141667 166678149 /nfs/dbraw/zinc/67/81/49/166678149.db2.gz DHQBJDDIURJBKW-ZJUUUORDSA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]C[C@H]1COCCO1 307288849 166679273 /nfs/dbraw/zinc/67/92/73/166679273.db2.gz XRRTZWLSOUQYTK-VHSXEESVSA-N 1 0 199.294 1.180 20 0 ADADRO CC1(C)CC[C@H]1[NH2+][C@H]1CCCOC1 306738730 166679403 /nfs/dbraw/zinc/67/94/03/166679403.db2.gz BWQVZHUYCUMTKV-VHSXEESVSA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C)C[NH2+]Cc2cc(N)ccc21 117622957 166681297 /nfs/dbraw/zinc/68/12/97/166681297.db2.gz ZYCKCUAACDVKOZ-UHFFFAOYSA-N 1 0 176.263 1.650 20 0 ADADRO CC1(C)C[N@H+](CCCF)C[C@@H]1O 307495712 166682291 /nfs/dbraw/zinc/68/22/91/166682291.db2.gz JHKJEDDQUQRNKD-QMMMGPOBSA-N 1 0 175.247 1.049 20 0 ADADRO CC1(C)C[NH2+]C[C@]2(C[C@@H]3CC[C@H]2C3)O1 170619258 166684125 /nfs/dbraw/zinc/68/41/25/166684125.db2.gz VSLNKMCKKONMLH-SCVCMEIPSA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCCC1 133769196 343926644 /nfs/dbraw/zinc/92/66/44/343926644.db2.gz GRRXXKYULAVJRI-BDAKNGLRSA-N 1 0 198.310 1.371 20 0 ADADRO CC1(C)C[C@@H]([NH2+]C2CC2)CO1 307340832 166685456 /nfs/dbraw/zinc/68/54/56/166685456.db2.gz YSKLHXAJWVWAGO-MRVPVSSYSA-N 1 0 155.241 1.306 20 0 ADADRO CC1(C)C[C@@H](O)C[C@@H](C[NH3+])C1 91691312 166686061 /nfs/dbraw/zinc/68/60/61/166686061.db2.gz YEZXRWIPKUWLBB-SFYZADRCSA-N 1 0 157.257 1.132 20 0 ADADRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCCC1 133768775 343926645 /nfs/dbraw/zinc/92/66/45/343926645.db2.gz GRRXXKYULAVJRI-RKDXNWHRSA-N 1 0 198.310 1.371 20 0 ADADRO CC1(C)C[C@@H]1[NH2+]Cc1cnccn1 54766731 166686778 /nfs/dbraw/zinc/68/67/78/166686778.db2.gz LAKOVYWJOPQTDI-VIFPVBQESA-N 1 0 177.251 1.365 20 0 ADADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCOC1(C)C 306980031 166687086 /nfs/dbraw/zinc/68/70/86/166687086.db2.gz GFHJBWUECIXOKO-IUCAKERBSA-N 1 0 183.295 1.942 20 0 ADADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCOC1(C)C 306980022 166688058 /nfs/dbraw/zinc/68/80/58/166688058.db2.gz GFHJBWUECIXOKO-BDAKNGLRSA-N 1 0 183.295 1.942 20 0 ADADRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCSC1 45115420 166688922 /nfs/dbraw/zinc/68/89/22/166688922.db2.gz YQCHQZBDLXGNIR-SFYZADRCSA-N 1 0 171.309 1.880 20 0 ADADRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCO2)CO1 306809595 166689574 /nfs/dbraw/zinc/68/95/74/166689574.db2.gz 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145.246 1.267 20 0 ADADRO CC[NH2+][C@@H](COC)C1CC1 23803741 167287716 /nfs/dbraw/zinc/28/77/16/167287716.db2.gz DRVVQIFBPCWVAS-QMMMGPOBSA-N 1 0 143.230 1.021 20 0 ADADRO CC[NH2+][C@@H](CO)c1ccc(F)cc1 38120368 167287821 /nfs/dbraw/zinc/28/78/21/167287821.db2.gz JSAUKWKLGNYYRO-JTQLQIEISA-N 1 0 183.226 1.469 20 0 ADADRO CC[NH2+][C@@H](CCO)c1cccs1 82918118 167287939 /nfs/dbraw/zinc/28/79/39/167287939.db2.gz MPIDFWVTIODQBS-QMMMGPOBSA-N 1 0 185.292 1.781 20 0 ADADRO CC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 41046507 167288085 /nfs/dbraw/zinc/28/80/85/167288085.db2.gz AHWIBXVCEMBJTM-PWSUYJOCSA-N 1 0 193.290 1.761 20 0 ADADRO CC[NH2+][C@@H](COC)C1CCCC1 49684507 167288334 /nfs/dbraw/zinc/28/83/34/167288334.db2.gz RHTSBIMCJCCNOJ-JTQLQIEISA-N 1 0 171.284 1.801 20 0 ADADRO CC[NH2+][C@@H](CC)c1cnn(C)c1 35555590 167288462 /nfs/dbraw/zinc/28/84/62/167288462.db2.gz QLYTZBATAZONKV-VIFPVBQESA-N 1 0 167.256 1.481 20 0 ADADRO CC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 41046505 167288584 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CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 43988339 167289936 /nfs/dbraw/zinc/28/99/36/167289936.db2.gz ATMUYNKCAHWIHI-MNOVXSKESA-N 1 0 193.294 1.976 20 0 ADADRO CC[NH2+][C@@H]1CCCC12CCOCC2 300943686 167290030 /nfs/dbraw/zinc/29/00/30/167290030.db2.gz OCTHATOKIZDTRT-SNVBAGLBSA-N 1 0 183.295 1.945 20 0 ADADRO CC[NH2+][C@@H]1CCOC[C@@H]1C 95091451 167290147 /nfs/dbraw/zinc/29/01/47/167290147.db2.gz JZJRAHFQIXMYNM-JGVFFNPUSA-N 1 0 143.230 1.021 20 0 ADADRO CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 307304711 167290179 /nfs/dbraw/zinc/29/01/79/167290179.db2.gz HTPHUXRSBNMXGG-RQJHMYQMSA-N 1 0 197.200 1.706 20 0 ADADRO CC[NH2+][C@@H]1CCc2ccccc2OC1 306977186 167290907 /nfs/dbraw/zinc/29/09/07/167290907.db2.gz AYKNICXCXFPRSW-LLVKDONJSA-N 1 0 191.274 1.990 20 0 ADADRO CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 43988346 167291043 /nfs/dbraw/zinc/29/10/43/167291043.db2.gz ATMUYNKCAHWIHI-GHMZBOCLSA-N 1 0 193.294 1.976 20 0 ADADRO CC[NH2+][C@@H]1CCC[C@@]1(C)CO 306711588 167291060 /nfs/dbraw/zinc/29/10/60/167291060.db2.gz 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1.109 20 0 in-vitro ADADRO C[NH2+]Cc1ccnc(C(F)(F)F)c1 38434630 168020601 /nfs/dbraw/zinc/02/06/01/168020601.db2.gz MMRPRAIHDBXPHW-UHFFFAOYSA-N 1 0 190.168 1.820 20 0 ADADRO C[NH2+]Cc1ccccc1NC(C)=O 36280880 168020620 /nfs/dbraw/zinc/02/06/20/168020620.db2.gz OVDAAOHDNRNCRW-UHFFFAOYSA-N 1 0 178.235 1.364 20 0 ADADRO C[NH2+]Cc1csc(C(F)(F)F)n1 83280905 168021523 /nfs/dbraw/zinc/02/15/23/168021523.db2.gz XUXOFTPBIITWRB-UHFFFAOYSA-N 1 0 196.197 1.881 20 0 ADADRO C[NH2+]Cc1cnn(C2CCCC2)c1 40538516 168021540 /nfs/dbraw/zinc/02/15/40/168021540.db2.gz HJPPRUYMFWOPJN-UHFFFAOYSA-N 1 0 179.267 1.718 20 0 ADADRO C[NH2+]Cc1cncnc1C(F)(F)F 83277733 168021749 /nfs/dbraw/zinc/02/17/49/168021749.db2.gz ZWKZPFGLBVJFHP-UHFFFAOYSA-N 1 0 191.156 1.215 20 0 ADADRO C[NH2+]Cc1nc(C(C)C)cs1 3711101 168021965 /nfs/dbraw/zinc/02/19/65/168021965.db2.gz PQKZAUQEMBDUKX-UHFFFAOYSA-N 1 0 170.281 1.986 20 0 ADADRO C[NH2+]Cc1nc(-c2ccsc2)no1 35164982 168022625 /nfs/dbraw/zinc/02/26/25/168022625.db2.gz ANDBMQXTJMWZFN-UHFFFAOYSA-N 1 0 195.247 1.518 20 0 ADADRO C[NH2+]Cc1nccc(C(C)C)n1 70951617 168022743 /nfs/dbraw/zinc/02/27/43/168022743.db2.gz GCECXZOKVDMQIA-UHFFFAOYSA-N 1 0 165.240 1.319 20 0 ADADRO C[NH2+]Cc1nc([C@H]2CCOC2)cs1 122669527 168022988 /nfs/dbraw/zinc/02/29/88/168022988.db2.gz SCTBJTDLPOOKIX-ZETCQYMHSA-N 1 0 198.291 1.366 20 0 ADADRO C[NH2+]Cc1nc(C)c(C(C)=O)s1 49805920 168023038 /nfs/dbraw/zinc/02/30/38/168023038.db2.gz XAITYXQLLBLKMB-UHFFFAOYSA-N 1 0 184.264 1.374 20 0 ADADRO C[NH2+]Cc1nc(C2(C)CC2)cs1 334597495 168023080 /nfs/dbraw/zinc/02/30/80/168023080.db2.gz LGRNDOPINDCFFG-UHFFFAOYSA-N 1 0 182.292 1.914 20 0 ADADRO C[NH2+]Cc1nc(-c2cccs2)c[nH]1 36877309 168023289 /nfs/dbraw/zinc/02/32/89/168023289.db2.gz BCHMYAAPXRPNIZ-UHFFFAOYSA-N 1 0 193.275 1.858 20 0 ADADRO C[NH2+]Cc1cnn(C)c1C(F)(F)F 78936176 168023347 /nfs/dbraw/zinc/02/33/47/168023347.db2.gz NOHIGHVULWFSKU-UHFFFAOYSA-N 1 0 193.172 1.158 20 0 ADADRO C[NH2+]Cc1nc(-c2ccco2)no1 55351855 168023538 /nfs/dbraw/zinc/02/35/38/168023538.db2.gz ZEJNUMNLBNLNSH-UHFFFAOYSA-N 1 0 179.179 1.049 20 0 ADADRO C[NH2+]Cc1cnn(CC2CCCC2)c1 54719205 168023799 /nfs/dbraw/zinc/02/37/99/168023799.db2.gz JGRNUCVKQGMPTD-UHFFFAOYSA-N 1 0 193.294 1.793 20 0 ADADRO C[NH2+]Cc1nc(COC)cs1 52602123 168023823 /nfs/dbraw/zinc/02/38/23/168023823.db2.gz RMZGTCBNPZKMEZ-UHFFFAOYSA-N 1 0 172.253 1.009 20 0 ADADRO C[NH2+]Cc1cnn(CC(C)C)c1 40932484 168023928 /nfs/dbraw/zinc/02/39/28/168023928.db2.gz PAJDSXKFDDFPID-UHFFFAOYSA-N 1 0 167.256 1.259 20 0 ADADRO C[NH2+]Cc1cnoc1C(C)C 82843369 168024033 /nfs/dbraw/zinc/02/40/33/168024033.db2.gz LRJUYSQASDMEIF-UHFFFAOYSA-N 1 0 154.213 1.517 20 0 ADADRO C[NH2+]Cc1nc([C@@H]2CCOC2)cs1 122669306 168024317 /nfs/dbraw/zinc/02/43/17/168024317.db2.gz SCTBJTDLPOOKIX-SSDOTTSWSA-N 1 0 198.291 1.366 20 0 ADADRO C[NH2+]Cc1sc(C)nc1C 52330068 168025332 /nfs/dbraw/zinc/02/53/32/168025332.db2.gz AMEJZNVARBMYKK-UHFFFAOYSA-N 1 0 156.254 1.479 20 0 ADADRO CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)C1 135092172 343954872 /nfs/dbraw/zinc/95/48/72/343954872.db2.gz HZMANPGJFLPFGH-OPRDCNLKSA-N 1 0 171.284 1.536 20 0 ADADRO C[NH2+][C@@H](C)C(=O)N(C)C1CCCCC1 55421390 168029561 /nfs/dbraw/zinc/02/95/61/168029561.db2.gz DCVPJEICAPIMHC-VIFPVBQESA-N 1 0 198.310 1.385 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NC1CCC(C)CC1 52395798 168029727 /nfs/dbraw/zinc/02/97/27/168029727.db2.gz PEHQPSWHAVHZMW-KYHHOPLUSA-N 1 0 198.310 1.289 20 0 ADADRO C[NH2+][C@@H](C)C(=O)N1CCCCCCC1 54071847 168029756 /nfs/dbraw/zinc/02/97/56/168029756.db2.gz ZNFQNONBMUWGRF-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO C[NH2+][C@@H](C)CC1CCOCC1 53826800 168029911 /nfs/dbraw/zinc/02/99/11/168029911.db2.gz JATFDYZUDVZRHE-QMMMGPOBSA-N 1 0 157.257 1.411 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1ccccc1C 55421695 168029958 /nfs/dbraw/zinc/02/99/58/168029958.db2.gz SZGZEDUMTPWSOD-VIFPVBQESA-N 1 0 192.262 1.541 20 0 ADADRO C[NH2+][C@@H](C)C(=O)N(C)CC(C)(C)C 54076805 168030130 /nfs/dbraw/zinc/03/01/30/168030130.db2.gz QEJFWLNYUDLNHE-QMMMGPOBSA-N 1 0 186.299 1.099 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1 55421536 168030254 /nfs/dbraw/zinc/03/02/54/168030254.db2.gz XGXPQYXFHMPKSZ-ZETCQYMHSA-N 1 0 196.225 1.372 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1ccccc1F 55421311 168030272 /nfs/dbraw/zinc/03/02/72/168030272.db2.gz FHTTVBUIXUMUPO-ZETCQYMHSA-N 1 0 196.225 1.372 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1 48775623 168030519 /nfs/dbraw/zinc/03/05/19/168030519.db2.gz PKUSTLBTICXPTN-ZETCQYMHSA-N 1 0 196.225 1.372 20 0 ADADRO C[NH2+][C@@H](C)C(=O)N(C)c1ccccc1 55421412 168030539 /nfs/dbraw/zinc/03/05/39/168030539.db2.gz UZHNZOMZHWFJOD-VIFPVBQESA-N 1 0 192.262 1.257 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1cccc(C)c1 55421419 168030572 /nfs/dbraw/zinc/03/05/72/168030572.db2.gz BGCLEYGEBWHOEG-VIFPVBQESA-N 1 0 192.262 1.541 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1ccccc1 20299761 168030922 /nfs/dbraw/zinc/03/09/22/168030922.db2.gz FLUVCRPZQJWVCW-QMMMGPOBSA-N 1 0 178.235 1.233 20 0 ADADRO C[NH2+][C@@H](C)C(=O)N1CCC(C)(C)CC1 61821104 168031324 /nfs/dbraw/zinc/03/13/24/168031324.db2.gz DWBRVXTUAGOVQA-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NC1CCCCCC1 48775748 168031330 /nfs/dbraw/zinc/03/13/30/168031330.db2.gz BMZUBTCUQIHSPL-VIFPVBQESA-N 1 0 198.310 1.433 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NC1(C)CCCCC1 54076803 168031409 /nfs/dbraw/zinc/03/14/09/168031409.db2.gz JLKVRYRQJRTZGF-VIFPVBQESA-N 1 0 198.310 1.433 20 0 ADADRO C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 55421286 168031458 /nfs/dbraw/zinc/03/14/58/168031458.db2.gz MLPDYQRKRGUKMN-VIFPVBQESA-N 1 0 192.262 1.541 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NC1CCCCC1 20299781 168031494 /nfs/dbraw/zinc/03/14/94/168031494.db2.gz BTMJRAVONZTMRN-QMMMGPOBSA-N 1 0 184.283 1.043 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NC1(C)CCCC1 54076525 168031510 /nfs/dbraw/zinc/03/15/10/168031510.db2.gz DYQVESNLHUCSFF-QMMMGPOBSA-N 1 0 184.283 1.043 20 0 ADADRO C[NH2+][C@@H](C)c1nc(-c2ccco2)no1 47848503 168034160 /nfs/dbraw/zinc/03/41/60/168034160.db2.gz COSSSMQXAVOUDU-LURJTMIESA-N 1 0 193.206 1.610 20 0 ADADRO C[NH2+][C@@H](CN1CCCC1)C(C)C 38973417 168036315 /nfs/dbraw/zinc/03/63/15/168036315.db2.gz ZIDNRUFGAGPXNN-JTQLQIEISA-N 1 0 170.300 1.326 20 0 ADADRO C[NH2+][C@@H](CC(C)C)CN(C)C 49555932 168036922 /nfs/dbraw/zinc/03/69/22/168036922.db2.gz FWWOWMZZMKYTEH-VIFPVBQESA-N 1 0 158.289 1.182 20 0 ADADRO C[NH2+][C@@H](CCO)Cc1ccccc1 83617267 168037783 /nfs/dbraw/zinc/03/77/83/168037783.db2.gz CHNGKBIHBRKETN-NSHDSACASA-N 1 0 179.263 1.200 20 0 ADADRO C[NH2+][C@@H]1CCC[C@@H]1N1CCCCC1 43813907 168040210 /nfs/dbraw/zinc/04/02/10/168040210.db2.gz MLZCNCCHTGCRKZ-MNOVXSKESA-N 1 0 182.311 1.613 20 0 ADADRO C[NH2+][C@@H]1CCCc2c1ncn2C 76087432 168040258 /nfs/dbraw/zinc/04/02/58/168040258.db2.gz DCIHDXUENZXXLF-SSDOTTSWSA-N 1 0 165.240 1.017 20 0 ADADRO C[NH2+][C@@H]1CCC[C@@H]1N1CCC(C)CC1 43806335 168040410 /nfs/dbraw/zinc/04/04/10/168040410.db2.gz AVGCFVBHXUXLJA-NEPJUHHUSA-N 1 0 196.338 1.859 20 0 ADADRO C[NH2+][C@@H]1CCCN(C(C)C)C1 39080935 168040782 /nfs/dbraw/zinc/04/07/82/168040782.db2.gz AWRYBXXINJOFLR-SECBINFHSA-N 1 0 156.273 1.079 20 0 ADADRO C[NH2+][C@@H]1CCCN(CC2CC2)C1 53201750 168040982 /nfs/dbraw/zinc/04/09/82/168040982.db2.gz AKGZDEAOAOUKKP-SNVBAGLBSA-N 1 0 168.284 1.080 20 0 ADADRO C[NH2+][C@@H]1CCC[C@H]1N1CCCCC1 43813910 168041296 /nfs/dbraw/zinc/04/12/96/168041296.db2.gz MLZCNCCHTGCRKZ-GHMZBOCLSA-N 1 0 182.311 1.613 20 0 ADADRO C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C)C1 53202278 168041326 /nfs/dbraw/zinc/04/13/26/168041326.db2.gz OVMCXTUKFHMICE-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO C[NH2+][C@@H]1CCCc2ccncc21 27190478 168041385 /nfs/dbraw/zinc/04/13/85/168041385.db2.gz DIHABIJGJRTAET-SNVBAGLBSA-N 1 0 162.236 1.678 20 0 ADADRO C[NH2+][C@@H]1CCCN(C(=O)CC(C)C)C1 53202454 168041994 /nfs/dbraw/zinc/04/19/94/168041994.db2.gz DIMSJKHCJKPAMF-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO C[NH2+][C@@H]1CCCN(CC2CCC2)C1 70585044 168042010 /nfs/dbraw/zinc/04/20/10/168042010.db2.gz PZIFHSRZMFFYBC-LLVKDONJSA-N 1 0 182.311 1.470 20 0 ADADRO C[NH2+][C@@H]1CCCN(C/C=C/Cl)C1 53203231 168042015 /nfs/dbraw/zinc/04/20/15/168042015.db2.gz RGQNDVKAMKXQAU-HYYFJVDXSA-N 1 0 188.702 1.423 20 0 ADADRO C[NH2+][C@@H]1CCCN(CC2CCCC2)C1 53201802 168042109 /nfs/dbraw/zinc/04/21/09/168042109.db2.gz FEVFUBFWPOZLPT-GFCCVEGCSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+][C@@H]1CCC[C@H]1N1CCC(C)CC1 43806333 168042134 /nfs/dbraw/zinc/04/21/34/168042134.db2.gz AVGCFVBHXUXLJA-VXGBXAGGSA-N 1 0 196.338 1.859 20 0 ADADRO C[NH2+][C@@H]1CCN(Cc2ccsc2)C1 63152984 168042338 /nfs/dbraw/zinc/04/23/38/168042338.db2.gz UZYBSYQCMGUFJH-SNVBAGLBSA-N 1 0 196.319 1.542 20 0 ADADRO C[NH2+][C@@H]1CCOC2(CCCC2)C1 69853935 168042678 /nfs/dbraw/zinc/04/26/78/168042678.db2.gz IPGRXAAYYINUOX-SECBINFHSA-N 1 0 169.268 1.698 20 0 ADADRO C[NH2+][C@@H]1CCN(CC2CCCCC2)C1 37259763 168042711 /nfs/dbraw/zinc/04/27/11/168042711.db2.gz HYROWOKMBIYQJD-GFCCVEGCSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+][C@@H]1CCN(CCC2CCCC2)C1 88284540 168042855 /nfs/dbraw/zinc/04/28/55/168042855.db2.gz KMURMFOIGCVSOK-GFCCVEGCSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+][C@@H]1COc2ccccc2[C@H](O)C1 4215979 168042932 /nfs/dbraw/zinc/04/29/32/168042932.db2.gz JWUPWOYNGNTOKD-WCBMZHEXSA-N 1 0 193.246 1.091 20 0 in-man ADADRO C[NH2+][C@@H]1CCN(Cc2cccs2)C1 37483612 168042937 /nfs/dbraw/zinc/04/29/37/168042937.db2.gz FKYQCGLWDIYXRV-SECBINFHSA-N 1 0 196.319 1.542 20 0 ADADRO C[NH2+][C@@H]1CCN(CCC(C)C)C1 37240444 168043539 /nfs/dbraw/zinc/04/35/39/168043539.db2.gz JOLWLUJBPXJAQX-SNVBAGLBSA-N 1 0 170.300 1.326 20 0 ADADRO C[NH2+][C@@H]1CCN(CC2CCCC2)C1 37258661 168043919 /nfs/dbraw/zinc/04/39/19/168043919.db2.gz VESFNGJKVIOFDG-LLVKDONJSA-N 1 0 182.311 1.470 20 0 ADADRO C[NH2+][C@H](C)CC1CCOCC1 53826802 168048444 /nfs/dbraw/zinc/04/84/44/168048444.db2.gz JATFDYZUDVZRHE-MRVPVSSYSA-N 1 0 157.257 1.411 20 0 ADADRO C[NH2+][C@H](CC(C)C)CN(C)C 49555933 168051911 /nfs/dbraw/zinc/05/19/11/168051911.db2.gz FWWOWMZZMKYTEH-SECBINFHSA-N 1 0 158.289 1.182 20 0 ADADRO C[NH2+][C@H](CCO)Cc1ccccc1 83617268 168053161 /nfs/dbraw/zinc/05/31/61/168053161.db2.gz CHNGKBIHBRKETN-LLVKDONJSA-N 1 0 179.263 1.200 20 0 ADADRO C[NH2+][C@H](CN1CCCC1)C(C)C 34060713 168053911 /nfs/dbraw/zinc/05/39/11/168053911.db2.gz ZIDNRUFGAGPXNN-SNVBAGLBSA-N 1 0 170.300 1.326 20 0 ADADRO C[NH2+][C@H]1CCCN(CC(C)C)C1 53201537 168056529 /nfs/dbraw/zinc/05/65/29/168056529.db2.gz GPAZRELUAFRWPX-JTQLQIEISA-N 1 0 170.300 1.326 20 0 ADADRO C[NH2+][C@H]1CCN(CC2CCC2)C1 37242460 168056583 /nfs/dbraw/zinc/05/65/83/168056583.db2.gz RJAZKTXQDGLNOH-JTQLQIEISA-N 1 0 168.284 1.080 20 0 ADADRO C[NH2+][C@H]1CCCN(CC2CCC2)C1 70585045 168056646 /nfs/dbraw/zinc/05/66/46/168056646.db2.gz PZIFHSRZMFFYBC-NSHDSACASA-N 1 0 182.311 1.470 20 0 ADADRO C[NH2+][C@H]1CCCN(C/C=C/Cl)C1 53203232 168056739 /nfs/dbraw/zinc/05/67/39/168056739.db2.gz RGQNDVKAMKXQAU-SGRBOOSSSA-N 1 0 188.702 1.423 20 0 ADADRO C[NH2+][C@H]1CCC[C@H]1N1CCCCC1 43813912 168057050 /nfs/dbraw/zinc/05/70/50/168057050.db2.gz MLZCNCCHTGCRKZ-WDEREUQCSA-N 1 0 182.311 1.613 20 0 ADADRO C[NH2+][C@H]1CCCc2c(OC)ccnc21 95221080 168057053 /nfs/dbraw/zinc/05/70/53/168057053.db2.gz VZVOMKZWBYHONL-VIFPVBQESA-N 1 0 192.262 1.687 20 0 ADADRO C[NH2+][C@H]1CCCN(CC2CCCC2)C1 53201803 168057083 /nfs/dbraw/zinc/05/70/83/168057083.db2.gz FEVFUBFWPOZLPT-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+][C@H]1CCCN(CCC(C)C)C1 53201555 168057092 /nfs/dbraw/zinc/05/70/92/168057092.db2.gz FXEGYWFVGXAVNB-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO C[NH2+][C@H]1CCN(CC2CCCCC2)C1 37259765 168057126 /nfs/dbraw/zinc/05/71/26/168057126.db2.gz HYROWOKMBIYQJD-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+][C@H]1CCCN(CC2CC2)C1 53201751 168057155 /nfs/dbraw/zinc/05/71/55/168057155.db2.gz AKGZDEAOAOUKKP-JTQLQIEISA-N 1 0 168.284 1.080 20 0 ADADRO C[NH2+][C@H]1CCCN(C(C)C)C1 39080933 168057227 /nfs/dbraw/zinc/05/72/27/168057227.db2.gz AWRYBXXINJOFLR-VIFPVBQESA-N 1 0 156.273 1.079 20 0 ADADRO C[NH2+][C@H]1CCC[C@@H]1N1CCC(C)CC1 43806331 168057257 /nfs/dbraw/zinc/05/72/57/168057257.db2.gz AVGCFVBHXUXLJA-RYUDHWBXSA-N 1 0 196.338 1.859 20 0 ADADRO C[NH2+][C@H]1CCC[C@@H]1N1CCCCC1 43813909 168057317 /nfs/dbraw/zinc/05/73/17/168057317.db2.gz MLZCNCCHTGCRKZ-QWRGUYRKSA-N 1 0 182.311 1.613 20 0 ADADRO C[NH2+][C@H]1CCN(CCC2CCCC2)C1 88284541 168057358 /nfs/dbraw/zinc/05/73/58/168057358.db2.gz KMURMFOIGCVSOK-LBPRGKRZSA-N 1 0 196.338 1.860 20 0 ADADRO C[NH2+][C@H]1CCCc2ccncc21 27190482 168057363 /nfs/dbraw/zinc/05/73/63/168057363.db2.gz DIHABIJGJRTAET-JTQLQIEISA-N 1 0 162.236 1.678 20 0 ADADRO C[NH2+][C@H]1CCCN(C(=O)CC(C)C)C1 53202453 168057441 /nfs/dbraw/zinc/05/74/41/168057441.db2.gz DIMSJKHCJKPAMF-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO C[NH2+][C@H]1CCN(CCC(C)C)C1 37240442 168057454 /nfs/dbraw/zinc/05/74/54/168057454.db2.gz JOLWLUJBPXJAQX-JTQLQIEISA-N 1 0 170.300 1.326 20 0 ADADRO C[NH2+][C@H]1CCN(CC2CCCC2)C1 37258663 168057519 /nfs/dbraw/zinc/05/75/19/168057519.db2.gz VESFNGJKVIOFDG-NSHDSACASA-N 1 0 182.311 1.470 20 0 ADADRO C[NH2+][C@H]1CCCN(C(=O)C(C)(C)C)C1 53202277 168057799 /nfs/dbraw/zinc/05/77/99/168057799.db2.gz 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ADSBGXDRKNMJER-LBPRGKRZSA-N 1 0 191.274 1.975 20 0 ADADRO COc1ccc(C[NH2+][C@@H](C)CO)cc1 35188669 168250481 /nfs/dbraw/zinc/25/04/81/168250481.db2.gz JECRNIMUUGOGMJ-VIFPVBQESA-N 1 0 195.262 1.166 20 0 in-vitro ADADRO COc1ccc(C[NH3+])c2cc(C)nn12 96028711 168250685 /nfs/dbraw/zinc/25/06/85/168250685.db2.gz GSPZRJJLGDSBEL-UHFFFAOYSA-N 1 0 191.234 1.110 20 0 ADADRO COc1ccc(C[NH2+]C(C)(C)C)cn1 51523722 168250740 /nfs/dbraw/zinc/25/07/40/168250740.db2.gz ZXFSOSYGNHUUHW-UHFFFAOYSA-N 1 0 194.278 1.978 20 0 ADADRO COc1ccc(C[NH2+]C2CC2)cn1 51523721 168250974 /nfs/dbraw/zinc/25/09/74/168250974.db2.gz XGXGCJDIWCRXGX-UHFFFAOYSA-N 1 0 178.235 1.342 20 0 ADADRO COc1ccc(C[NH+]2CCCC2)cn1 336144365 168251026 /nfs/dbraw/zinc/25/10/26/168251026.db2.gz FAWLSEZZCKRPKT-UHFFFAOYSA-N 1 0 192.262 1.686 20 0 ADADRO COc1ccc(C[NH2+]C2CC2)cc1O 22147932 168251216 /nfs/dbraw/zinc/25/12/16/168251216.db2.gz MMPQJDKJOIHAEF-UHFFFAOYSA-N 1 0 193.246 1.653 20 0 ADADRO COc1ccc(C[C@@H]([NH3+])C2CC2)cc1 38128722 168251495 /nfs/dbraw/zinc/25/14/95/168251495.db2.gz ADSBGXDRKNMJER-GFCCVEGCSA-N 1 0 191.274 1.975 20 0 ADADRO COc1ccc(C[NH2+][C@H](C)CO)cc1 35188670 168251878 /nfs/dbraw/zinc/25/18/78/168251878.db2.gz JECRNIMUUGOGMJ-SECBINFHSA-N 1 0 195.262 1.166 20 0 in-vitro ADADRO COc1ccc(F)cc1[C@@H]([NH3+])[C@H](C)O 82383945 168253628 /nfs/dbraw/zinc/25/36/28/168253628.db2.gz QDBSKZMELBFHAG-WKEGUHRASA-N 1 0 199.225 1.215 20 0 ADADRO COc1ccc(F)cc1[C@H]([NH3+])[C@H](C)O 82383948 168253738 /nfs/dbraw/zinc/25/37/38/168253738.db2.gz QDBSKZMELBFHAG-QUBYGPBYSA-N 1 0 199.225 1.215 20 0 ADADRO COc1ccc(F)cc1[C@@H]([NH3+])[C@@H](C)O 82383946 168253949 /nfs/dbraw/zinc/25/39/49/168253949.db2.gz QDBSKZMELBFHAG-LDWIPMOCSA-N 1 0 199.225 1.215 20 0 ADADRO COc1ccc(F)cc1[C@H]([NH3+])[C@@H](C)O 82383949 168254502 /nfs/dbraw/zinc/25/45/02/168254502.db2.gz QDBSKZMELBFHAG-LHLIQPBNSA-N 1 0 199.225 1.215 20 0 ADADRO COc1ccc(NCC(C)(C)[NH3+])cc1 59505755 168255464 /nfs/dbraw/zinc/25/54/64/168255464.db2.gz ZUOBFUVMRVICKC-UHFFFAOYSA-N 1 0 194.278 1.844 20 0 ADADRO COC1C[NH+](C[C@H]2CCSC2)C1 334741286 168147774 /nfs/dbraw/zinc/14/77/74/168147774.db2.gz RNJIFSAQPQDDPG-MRVPVSSYSA-N 1 0 187.308 1.070 20 0 ADADRO COc1ccc(OC)c(C2([NH3+])CC2)c1 71506323 168256307 /nfs/dbraw/zinc/25/63/07/168256307.db2.gz FZKIGWLCCASRJZ-UHFFFAOYSA-N 1 0 193.246 1.652 20 0 ADADRO COc1ccc([C@@H]2CC[C@@H]2[NH3+])cc1 2018648 168257112 /nfs/dbraw/zinc/25/71/12/168257112.db2.gz VEQOJSWKOOHOKR-QWRGUYRKSA-N 1 0 177.247 1.900 20 0 ADADRO COc1ccc([C@@H](C)[NH2+]CCO)cc1 20597053 168257180 /nfs/dbraw/zinc/25/71/80/168257180.db2.gz PZDSISDTFSUXTO-SECBINFHSA-N 1 0 195.262 1.338 20 0 ADADRO COc1ccc([C@@H](O)CC[NH3+])cc1 19674799 168257295 /nfs/dbraw/zinc/25/72/95/168257295.db2.gz QKJOUOHFQUHJBT-JTQLQIEISA-N 1 0 181.235 1.077 20 0 ADADRO COc1ccc([C@@H]([NH3+])[C@@H](C)O)cc1C 82386432 168257711 /nfs/dbraw/zinc/25/77/11/168257711.db2.gz YJLGGNXKKIPDFU-KCJUWKMLSA-N 1 0 195.262 1.384 20 0 ADADRO COc1ccc([C@@H]([NH3+])[C@H](C)O)cc1C 82386434 168257810 /nfs/dbraw/zinc/25/78/10/168257810.db2.gz YJLGGNXKKIPDFU-KWQFWETISA-N 1 0 195.262 1.384 20 0 ADADRO COc1ccc([C@@H]2CC[C@H]2[NH3+])cc1 2018646 168257835 /nfs/dbraw/zinc/25/78/35/168257835.db2.gz VEQOJSWKOOHOKR-WDEREUQCSA-N 1 0 177.247 1.900 20 0 ADADRO COc1ccc([C@@H]([NH3+])CN(C)C)cc1 19821414 168257915 /nfs/dbraw/zinc/25/79/15/168257915.db2.gz ZVYAFQNZQLLQOS-NSHDSACASA-N 1 0 194.278 1.257 20 0 in-vitro ADADRO COc1ccc([C@@]2(C)CC[NH2+]C2)cc1 51955186 168258112 /nfs/dbraw/zinc/25/81/12/168258112.db2.gz VAQTZXOJDJXERC-LBPRGKRZSA-N 1 0 191.274 1.946 20 0 ADADRO COc1ccc([C@@H]2CCC[NH2+]2)cc1O 72201643 168258162 /nfs/dbraw/zinc/25/81/62/168258162.db2.gz JUQQXGOGFNGPRY-VIFPVBQESA-N 1 0 193.246 1.825 20 0 ADADRO COc1ccc([C@@H]2CCCC[NH2+]2)nc1 75086705 168258238 /nfs/dbraw/zinc/25/82/38/168258238.db2.gz CHAXTYMCNWIRSX-JTQLQIEISA-N 1 0 192.262 1.905 20 0 ADADRO COc1ccc([C@@H](C)NCC[NH3+])cc1 37712405 168258496 /nfs/dbraw/zinc/25/84/96/168258496.db2.gz BGKYIBNWEHEEOM-SECBINFHSA-N 1 0 194.278 1.305 20 0 ADADRO COc1ccc([C@H](C)[NH2+]CCO)cc1 20597054 168258755 /nfs/dbraw/zinc/25/87/55/168258755.db2.gz PZDSISDTFSUXTO-VIFPVBQESA-N 1 0 195.262 1.338 20 0 ADADRO COc1ccc([C@H]([NH3+])[C@@H](C)O)cc1C 82386431 168258976 /nfs/dbraw/zinc/25/89/76/168258976.db2.gz YJLGGNXKKIPDFU-LDYMZIIASA-N 1 0 195.262 1.384 20 0 ADADRO COc1ccc([C@H]([NH3+])CN(C)C)cc1 19821416 168259167 /nfs/dbraw/zinc/25/91/67/168259167.db2.gz ZVYAFQNZQLLQOS-LLVKDONJSA-N 1 0 194.278 1.257 20 0 in-vitro ADADRO COc1ccc([C@H]2CC[C@H]2[NH3+])cc1 2018645 168259261 /nfs/dbraw/zinc/25/92/61/168259261.db2.gz VEQOJSWKOOHOKR-GHMZBOCLSA-N 1 0 177.247 1.900 20 0 ADADRO COc1ccc([C@H](C)[NH3+])nc1 83268296 168259273 /nfs/dbraw/zinc/25/92/73/168259273.db2.gz XFPSDYRFLSUNKD-LURJTMIESA-N 1 0 152.197 1.110 20 0 in-vitro ADADRO COc1ccc([C@H]2CCCC[NH2+]2)nc1 75086707 168259306 /nfs/dbraw/zinc/25/93/06/168259306.db2.gz CHAXTYMCNWIRSX-SNVBAGLBSA-N 1 0 192.262 1.905 20 0 ADADRO COc1ccc([C@H](C)NCC[NH3+])cc1 37712404 168259748 /nfs/dbraw/zinc/25/97/48/168259748.db2.gz BGKYIBNWEHEEOM-VIFPVBQESA-N 1 0 194.278 1.305 20 0 ADADRO COc1ccc([C@H]2CCCC[NH2+]2)cn1 2534024 168259786 /nfs/dbraw/zinc/25/97/86/168259786.db2.gz PZPSASQDMBLQNN-SNVBAGLBSA-N 1 0 192.262 1.905 20 0 ADADRO COc1ccc([C@H]([NH3+])[C@H](C)O)cc1C 82386433 168259872 /nfs/dbraw/zinc/25/98/72/168259872.db2.gz YJLGGNXKKIPDFU-GZMMTYOYSA-N 1 0 195.262 1.384 20 0 ADADRO COc1ccc([C@H]2CC[C@@H]2[NH3+])cc1 2018647 168260114 /nfs/dbraw/zinc/26/01/14/168260114.db2.gz VEQOJSWKOOHOKR-MNOVXSKESA-N 1 0 177.247 1.900 20 0 ADADRO COc1ccc([C@H](O)CC[NH3+])cc1 19674801 168260140 /nfs/dbraw/zinc/26/01/40/168260140.db2.gz QKJOUOHFQUHJBT-SNVBAGLBSA-N 1 0 181.235 1.077 20 0 ADADRO COc1ccc([C@]2(C)CC[NH2+]C2)cc1 51955188 168260388 /nfs/dbraw/zinc/26/03/88/168260388.db2.gz VAQTZXOJDJXERC-GFCCVEGCSA-N 1 0 191.274 1.946 20 0 ADADRO COc1ccc2c(c1)C[NH2+]CC21CC1 91368602 168261427 /nfs/dbraw/zinc/26/14/27/168261427.db2.gz DMJCJHXVYFBYJQ-UHFFFAOYSA-N 1 0 189.258 1.830 20 0 ADADRO COc1ccc2c(c1)C[NH2+]C21CC1 95803757 168261490 /nfs/dbraw/zinc/26/14/90/168261490.db2.gz FUKOFKORZXJBCD-UHFFFAOYSA-N 1 0 175.231 1.788 20 0 ADADRO COc1ccc2c(c1)CC[C@]21CC[NH2+]1 306145500 168261697 /nfs/dbraw/zinc/26/16/97/168261697.db2.gz GYINZFSQUKVSRY-LBPRGKRZSA-N 1 0 189.258 1.830 20 0 ADADRO COc1ccc2c(c1)CC[N@@H+](C)C2 1999215 168262021 /nfs/dbraw/zinc/26/20/21/168262021.db2.gz FXCIEQJPMSJEII-UHFFFAOYSA-N 1 0 177.247 1.683 20 0 ADADRO COc1ccc2c(c1)CC[C@@]21CC[NH2+]1 306145499 168262407 /nfs/dbraw/zinc/26/24/07/168262407.db2.gz GYINZFSQUKVSRY-GFCCVEGCSA-N 1 0 189.258 1.830 20 0 ADADRO COc1ccc2c(c1)OC[C@@H]2[NH3+] 62803931 168263058 /nfs/dbraw/zinc/26/30/58/168263058.db2.gz UBNFZTRISBVHJR-QMMMGPOBSA-N 1 0 165.192 1.087 20 0 ADADRO COc1ccc2c(c1)[C@@]1(CC2)C[C@@H]1[NH3+] 86244773 168263252 /nfs/dbraw/zinc/26/32/52/168263252.db2.gz GOINZYUGYFMQEI-NWDGAFQWSA-N 1 0 189.258 1.610 20 0 ADADRO COc1ccc2c(c1)OC[C@H]2[NH3+] 62803932 168263656 /nfs/dbraw/zinc/26/36/56/168263656.db2.gz UBNFZTRISBVHJR-MRVPVSSYSA-N 1 0 165.192 1.087 20 0 ADADRO COc1ccc2c(c1)[C@@]1(CC2)C[C@H]1[NH3+] 86244775 168263858 /nfs/dbraw/zinc/26/38/58/168263858.db2.gz GOINZYUGYFMQEI-VXGBXAGGSA-N 1 0 189.258 1.610 20 0 ADADRO COc1ccc2c(c1)[C@]1(CC2)C[C@@H]1[NH3+] 86244774 168264120 /nfs/dbraw/zinc/26/41/20/168264120.db2.gz GOINZYUGYFMQEI-RYUDHWBXSA-N 1 0 189.258 1.610 20 0 ADADRO COc1ccc2c(c1OC)OC[C@H]2[NH3+] 74942395 168264857 /nfs/dbraw/zinc/26/48/57/168264857.db2.gz XPXIRRHQAGTFEJ-SSDOTTSWSA-N 1 0 195.218 1.096 20 0 ADADRO COc1ccc2cc(C[NH3+])[nH]c2c1 82634236 168265307 /nfs/dbraw/zinc/26/53/07/168265307.db2.gz JOSIBNUFVWDZJN-UHFFFAOYSA-N 1 0 176.219 1.635 20 0 ADADRO COc1ccc2c(c1)[C@]1(CC2)C[C@H]1[NH3+] 86244776 168265492 /nfs/dbraw/zinc/26/54/92/168265492.db2.gz GOINZYUGYFMQEI-NEPJUHHUSA-N 1 0 189.258 1.610 20 0 ADADRO COc1ccc2c(c1OC)OC[C@@H]2[NH3+] 74942393 168265550 /nfs/dbraw/zinc/26/55/50/168265550.db2.gz XPXIRRHQAGTFEJ-ZETCQYMHSA-N 1 0 195.218 1.096 20 0 ADADRO COc1ccc2cc[nH+]c(NN)c2c1 38540270 168266121 /nfs/dbraw/zinc/26/61/21/168266121.db2.gz OVCDELGWHIIVLZ-UHFFFAOYSA-N 1 0 189.218 1.529 20 0 ADADRO COc1cccc(C2([NH3+])CC2)c1OC 82896975 168268080 /nfs/dbraw/zinc/26/80/80/168268080.db2.gz LAVXFJVMLREJAF-UHFFFAOYSA-N 1 0 193.246 1.652 20 0 ADADRO COc1cccc(C2CC[NH2+]CC2)n1 83278337 168268160 /nfs/dbraw/zinc/26/81/60/168268160.db2.gz ZADIUFCFJXOGJX-UHFFFAOYSA-N 1 0 192.262 1.557 20 0 ADADRO COc1cccc(C[NH2+]C(C)(C)C)n1 51523644 168268996 /nfs/dbraw/zinc/26/89/96/168268996.db2.gz PICYJGJLSLKWFY-UHFFFAOYSA-N 1 0 194.278 1.978 20 0 ADADRO COc1cccc(C[NH2+][C@@H](C)CO)c1 35603779 168269202 /nfs/dbraw/zinc/26/92/02/168269202.db2.gz FDWSHNFLDAKGLN-VIFPVBQESA-N 1 0 195.262 1.166 20 0 ADADRO COc1cccc(C[NH+]2CCCC2)n1 306412570 168269350 /nfs/dbraw/zinc/26/93/50/168269350.db2.gz MNZCMBLBHAFUPA-UHFFFAOYSA-N 1 0 192.262 1.686 20 0 ADADRO COc1cccc(C[NH2+]C2CC2)n1 51523643 168269439 /nfs/dbraw/zinc/26/94/39/168269439.db2.gz LPMWPYGVOXLQFE-UHFFFAOYSA-N 1 0 178.235 1.342 20 0 ADADRO COc1cccc(C[NH2+]CCCO)c1 20187757 168269455 /nfs/dbraw/zinc/26/94/55/168269455.db2.gz YIXWKBNRUZDMNB-UHFFFAOYSA-N 1 0 195.262 1.167 20 0 ADADRO COc1cccc(C[NH2+]CC(C)C)n1 51523646 168269501 /nfs/dbraw/zinc/26/95/01/168269501.db2.gz GMGFQDCUBJTLFB-UHFFFAOYSA-N 1 0 194.278 1.836 20 0 ADADRO COc1cccc(C[NH2+]C(C)C)n1 51523629 168269686 /nfs/dbraw/zinc/26/96/86/168269686.db2.gz KXFXMSMHOFQRJY-UHFFFAOYSA-N 1 0 180.251 1.588 20 0 ADADRO COc1cccc(C[NH2+][C@H](C)CO)c1 35603781 168269805 /nfs/dbraw/zinc/26/98/05/168269805.db2.gz FDWSHNFLDAKGLN-SECBINFHSA-N 1 0 195.262 1.166 20 0 ADADRO COc1cccc([C@@H](C)[NH3+])c1OC 60176250 168270689 /nfs/dbraw/zinc/27/06/89/168270689.db2.gz XSRDWBCINFWLJO-SSDOTTSWSA-N 1 0 181.235 1.724 20 0 ADADRO COc1cccc([C@@H](C)[NH2+]CCO)c1 20597051 168270847 /nfs/dbraw/zinc/27/08/47/168270847.db2.gz ZJEQHSLWIOPGGV-SECBINFHSA-N 1 0 195.262 1.338 20 0 ADADRO COc1cccc([C@H](C)[NH3+])c1OC 60176249 168272416 /nfs/dbraw/zinc/27/24/16/168272416.db2.gz XSRDWBCINFWLJO-ZETCQYMHSA-N 1 0 181.235 1.724 20 0 ADADRO COc1cccc2[nH]c(C[NH3+])nc12 108291495 168272798 /nfs/dbraw/zinc/27/27/98/168272798.db2.gz DRLVGRKJANAGGA-UHFFFAOYSA-N 1 0 177.207 1.030 20 0 ADADRO COc1cccc([C@H](C)[NH2+]CCO)c1 20597052 168272882 /nfs/dbraw/zinc/27/28/82/168272882.db2.gz ZJEQHSLWIOPGGV-VIFPVBQESA-N 1 0 195.262 1.338 20 0 ADADRO COc1cccc2[nH]nc(CC[NH3+])c12 89195794 168272930 /nfs/dbraw/zinc/27/29/30/168272930.db2.gz JIJSGNHPMXKUHA-UHFFFAOYSA-N 1 0 191.234 1.073 20 0 ADADRO COc1cccc2c1CC[N@H+](C)C2 38888693 168273597 /nfs/dbraw/zinc/27/35/97/168273597.db2.gz KRLDCRSPHOQRDO-UHFFFAOYSA-N 1 0 177.247 1.683 20 0 ADADRO COc1cccc2c(CC[NH3+])[nH]nc12 89196061 168273916 /nfs/dbraw/zinc/27/39/16/168273916.db2.gz AYZBRTWOGQWTGU-UHFFFAOYSA-N 1 0 191.234 1.073 20 0 ADADRO COc1cccc2c1C1(CC1)C[NH2+]C2 91366439 168273992 /nfs/dbraw/zinc/27/39/92/168273992.db2.gz KMOLTPRQFDWBSO-UHFFFAOYSA-N 1 0 189.258 1.830 20 0 ADADRO COc1cccc2c1C[NH2+]CC21CC1 91368644 168274166 /nfs/dbraw/zinc/27/41/66/168274166.db2.gz YMQUSZSLAAFXTF-UHFFFAOYSA-N 1 0 189.258 1.830 20 0 ADADRO COc1cccc2c1C[N@H+](C)CC2 2015679 168274875 /nfs/dbraw/zinc/27/48/75/168274875.db2.gz OZVUTUTWHAURLW-UHFFFAOYSA-N 1 0 177.247 1.683 20 0 ADADRO COc1cccc2c1[C@@H]([NH3+])CO2 117538079 168275371 /nfs/dbraw/zinc/27/53/71/168275371.db2.gz HJDRZCNWTNXKQN-LURJTMIESA-N 1 0 165.192 1.087 20 0 ADADRO COc1ccccc1-c1c[nH]c(N)[nH+]1 31891146 168275401 /nfs/dbraw/zinc/27/54/01/168275401.db2.gz KRHAIGOLHAWCQP-UHFFFAOYSA-N 1 0 189.218 1.668 20 0 ADADRO COc1cccc2c1[C@H]([NH3+])CO2 117538082 168275722 /nfs/dbraw/zinc/27/57/22/168275722.db2.gz HJDRZCNWTNXKQN-ZCFIWIBFSA-N 1 0 165.192 1.087 20 0 ADADRO COc1cccnc1[C@H](C)C[NH3+] 83270107 168277778 /nfs/dbraw/zinc/27/77/78/168277778.db2.gz QJSGFUOGEOMCMB-SSDOTTSWSA-N 1 0 166.224 1.152 20 0 ADADRO COc1ccccc1[C@@]1(C)CC[NH2+]C1 51955369 168277954 /nfs/dbraw/zinc/27/79/54/168277954.db2.gz OCIBZPZOMYJSDF-LBPRGKRZSA-N 1 0 191.274 1.946 20 0 ADADRO COc1ccccc1[C@H](C)[NH2+]CCO 20597094 168277974 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20 0 ADADRO C[C@@H](C[NH3+])C(=O)N1CCC(C)(C)CC1 61820269 168341226 /nfs/dbraw/zinc/34/12/26/168341226.db2.gz ZTHDDWUTGZZQQS-VIFPVBQESA-N 1 0 198.310 1.230 20 0 ADADRO C[C@@H](CF)[NH2+]C1CCSCC1 306469398 168341252 /nfs/dbraw/zinc/34/12/52/168341252.db2.gz UPGMUCYFHXZMCO-ZETCQYMHSA-N 1 0 177.288 1.830 20 0 ADADRO C[C@@H](CF)[NH2+][C@H]1CCSC1 306275968 168341280 /nfs/dbraw/zinc/34/12/80/168341280.db2.gz DHSCMXKPOQZZOX-BQBZGAKWSA-N 1 0 163.261 1.440 20 0 ADADRO C[C@@H](C[NH3+])C(=O)Nc1ccccc1 44795305 168341283 /nfs/dbraw/zinc/34/12/83/168341283.db2.gz CPBZYYOUINLDHZ-QMMMGPOBSA-N 1 0 178.235 1.220 20 0 ADADRO C[C@@H](C[NH3+])C1(O)CCCCC1 82632257 168341300 /nfs/dbraw/zinc/34/13/00/168341300.db2.gz GMWWELHWJUXLJH-QMMMGPOBSA-N 1 0 157.257 1.276 20 0 ADADRO C[C@@H](C[NH3+])C(=O)N(C)C1CCCCC1 44793762 168341331 /nfs/dbraw/zinc/34/13/31/168341331.db2.gz FPRIWTGHRPRRIW-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H](CF)[NH2+][C@@H]1CCCOC1 306589669 168341390 /nfs/dbraw/zinc/34/13/90/168341390.db2.gz OQDOGCVKTGICAT-JGVFFNPUSA-N 1 0 161.220 1.113 20 0 ADADRO C[C@@H](CF)[NH2+][C@@H]1CCSC1 306275969 168341494 /nfs/dbraw/zinc/34/14/94/168341494.db2.gz DHSCMXKPOQZZOX-NKWVEPMBSA-N 1 0 163.261 1.440 20 0 ADADRO C[C@@H](CF)[NH2+][C@@H]1CCCSC1 306433632 168341500 /nfs/dbraw/zinc/34/15/00/168341500.db2.gz XKSJHOXXZAHHKW-JGVFFNPUSA-N 1 0 177.288 1.830 20 0 ADADRO C[C@@H](C[NH3+])C(=O)N(C)c1ccccc1 44795996 168341513 /nfs/dbraw/zinc/34/15/13/168341513.db2.gz DJVHGBZMDVUYIU-VIFPVBQESA-N 1 0 192.262 1.244 20 0 ADADRO C[C@@H](C[NH3+])C(=O)N1C[C@H](C)CC1(C)C 307350486 168341570 /nfs/dbraw/zinc/34/15/70/168341570.db2.gz POKRAWFDRHKYDI-BDAKNGLRSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@@H](CF)[NH2+][C@H]1COC(C)(C)C1 334956066 168341581 /nfs/dbraw/zinc/34/15/81/168341581.db2.gz QJLBIDGATJTVJR-JGVFFNPUSA-N 1 0 175.247 1.502 20 0 ADADRO C[C@@H](C[NH3+])C(=O)N1[C@@H](C)CCC[C@H]1C 44795105 168341647 /nfs/dbraw/zinc/34/16/47/168341647.db2.gz MQSRBBHYGKZPIT-LPEHRKFASA-N 1 0 198.310 1.371 20 0 ADADRO C[C@@H](C[NH3+])C(=O)NC[C@@H]1CC=CCC1 54345501 168341655 /nfs/dbraw/zinc/34/16/55/168341655.db2.gz IPYZDINSHGOMMF-VHSXEESVSA-N 1 0 196.294 1.054 20 0 ADADRO C[C@@H](CF)[NH2+][C@@H]1CCCOCC1 306366307 168341731 /nfs/dbraw/zinc/34/17/31/168341731.db2.gz FBBZHQQHCMFEQV-DTWKUNHWSA-N 1 0 175.247 1.503 20 0 ADADRO C[C@@H](C[NH3+])C(=O)NC1CCCCC1 44795272 168341853 /nfs/dbraw/zinc/34/18/53/168341853.db2.gz SFOLMDBYXBNCCZ-QMMMGPOBSA-N 1 0 184.283 1.030 20 0 ADADRO C[C@@H](C[NH3+])C(=O)NCC1CCCCC1 44800879 168341915 /nfs/dbraw/zinc/34/19/15/168341915.db2.gz IDDXNKTXACWJMI-VIFPVBQESA-N 1 0 198.310 1.278 20 0 ADADRO C[C@@H](CF)[NH2+][C@H]1CCCOCC1 306366310 168341982 /nfs/dbraw/zinc/34/19/82/168341982.db2.gz FBBZHQQHCMFEQV-IUCAKERBSA-N 1 0 175.247 1.503 20 0 ADADRO C[C@@H](C[NH3+])C1(O)CCCCCC1 82633804 168342016 /nfs/dbraw/zinc/34/20/16/168342016.db2.gz JGWHICXMXLNAQJ-VIFPVBQESA-N 1 0 171.284 1.667 20 0 ADADRO C[C@@H](CF)[NH2+]C1CCOCC1 306288450 168342026 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PLQQIWZLCQHKIQ-DTWKUNHWSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@@H](C[NH3+])C(C)(C)C 37245718 168342140 /nfs/dbraw/zinc/34/21/40/168342140.db2.gz CGXTZRLPKKSQOC-LURJTMIESA-N 1 0 115.220 1.627 20 0 in-vitro ADADRO C[C@@H](C[NH3+])N(C)Cc1ccccc1F 20226748 168342813 /nfs/dbraw/zinc/34/28/13/168342813.db2.gz ACYSXJUIPUALTG-VIFPVBQESA-N 1 0 196.269 1.605 20 0 ADADRO C[C@@H](C[NH3+])CNC(=O)C1CCCCC1 54139807 168342823 /nfs/dbraw/zinc/34/28/23/168342823.db2.gz QSDQTQHNNJABLS-VIFPVBQESA-N 1 0 198.310 1.278 20 0 ADADRO C[C@@H](CN)[N@H+](C)CC1CCCCC1 20226782 168342831 /nfs/dbraw/zinc/34/28/31/168342831.db2.gz YQLVUVWQUWGICP-JTQLQIEISA-N 1 0 184.327 1.846 20 0 ADADRO C[C@@H](C[NH3+])N(C)C(=O)c1cccs1 82638333 168342862 /nfs/dbraw/zinc/34/28/62/168342862.db2.gz CBVOVPDFTTWTAP-ZETCQYMHSA-N 1 0 198.291 1.167 20 0 ADADRO C[C@@H](C[NH3+])N(C)Cc1ccc(F)cc1 20226752 168342977 /nfs/dbraw/zinc/34/29/77/168342977.db2.gz OPQOIFYADKSMNU-VIFPVBQESA-N 1 0 196.269 1.605 20 0 ADADRO C[C@@H](C[NH3+])N(C)C(=O)c1ccccc1 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168355788 /nfs/dbraw/zinc/35/57/88/168355788.db2.gz PZQLFIARXFEQSX-RKDXNWHRSA-N 1 0 189.274 1.580 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCOCC1(C)C 306751516 168355807 /nfs/dbraw/zinc/35/58/07/168355807.db2.gz HXCDKGXFAVDUAC-SECBINFHSA-N 1 0 189.274 1.845 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCOCC12CC2 307679573 168355819 /nfs/dbraw/zinc/35/58/19/168355819.db2.gz MTWGFAFSBTXBLI-SECBINFHSA-N 1 0 187.258 1.599 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCCN(C)CC1 336278212 168355876 /nfs/dbraw/zinc/35/58/76/168355876.db2.gz AGJKLSFKMWXSJU-SNVBAGLBSA-N 1 0 188.290 1.372 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCOC[C@H](C)C1 307624752 168355890 /nfs/dbraw/zinc/35/58/90/168355890.db2.gz SCQCSHPGXIGXBL-NXEZZACHSA-N 1 0 189.274 1.703 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CC[C@@H](F)C1 336263153 168355938 /nfs/dbraw/zinc/35/59/38/168355938.db2.gz VNENIIAHEKPIMR-HTQZYQBOSA-N 1 0 163.211 1.778 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CC[C@H](F)C1 336263155 168355994 /nfs/dbraw/zinc/35/59/94/168355994.db2.gz VNENIIAHEKPIMR-SFYZADRCSA-N 1 0 163.211 1.778 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CC[C@@](C)(O)C1 307058012 168356098 /nfs/dbraw/zinc/35/60/98/168356098.db2.gz LSEQXVBCQPDZRU-RKDXNWHRSA-N 1 0 175.247 1.191 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCn2ccnc2C1 335202855 168356127 /nfs/dbraw/zinc/35/61/27/168356127.db2.gz NWIQTTZSRSTYCA-SECBINFHSA-N 1 0 197.257 1.447 20 0 ADADRO C[C@@H]([N@H+](C)CCCO)C(C)(C)C 42778270 168356174 /nfs/dbraw/zinc/35/61/74/168356174.db2.gz WFLKHPZGHOXWMP-SECBINFHSA-N 1 0 173.300 1.735 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCC[C@H](O)C1 306507294 168356192 /nfs/dbraw/zinc/35/61/92/168356192.db2.gz XQCQYKHGZNSPCR-BDAKNGLRSA-N 1 0 175.247 1.191 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCC[C@@](C)(O)C1 306696041 168356358 /nfs/dbraw/zinc/35/63/58/168356358.db2.gz WCCKIGPFSBDHLW-NXEZZACHSA-N 1 0 189.274 1.581 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCCO[C@H](C)C1 307461947 168356369 /nfs/dbraw/zinc/35/63/69/168356369.db2.gz BKHBJCFBBWYULV-NXEZZACHSA-N 1 0 189.274 1.845 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H](O)CC1 307758725 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177.288 1.783 20 0 ADADRO C[C@@H](F)CC[N@@H+]1CCC[C@@H](O)C1 307480737 168356704 /nfs/dbraw/zinc/35/67/04/168356704.db2.gz XQCQYKHGZNSPCR-RKDXNWHRSA-N 1 0 175.247 1.191 20 0 ADADRO C[C@@H](F)CC[NH+]1CCC(C)(O)CC1 307301694 168356710 /nfs/dbraw/zinc/35/67/10/168356710.db2.gz YAXHJULIMKMWDH-SECBINFHSA-N 1 0 189.274 1.581 20 0 ADADRO C[C@@H](F)CC[N@@H+]1C[C@H](O)C2(CC2)C1 306290741 168356762 /nfs/dbraw/zinc/35/67/62/168356762.db2.gz QZNVKZLHPZXWAJ-BDAKNGLRSA-N 1 0 187.258 1.191 20 0 ADADRO C[C@@H](N(C)C(=O)CC[NH3+])C(C)(C)C 37807120 168356803 /nfs/dbraw/zinc/35/68/03/168356803.db2.gz XNCUGEVJYQNNAY-MRVPVSSYSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@@H](F)CC[N@@H+]1C[C@@H](O)C2(CC2)C1 306290749 168356845 /nfs/dbraw/zinc/35/68/45/168356845.db2.gz QZNVKZLHPZXWAJ-RKDXNWHRSA-N 1 0 187.258 1.191 20 0 ADADRO C[C@@H](F)CC[NH+]1CCOCC1 306971103 168356872 /nfs/dbraw/zinc/35/68/72/168356872.db2.gz UMXKTQABEJJEFD-MRVPVSSYSA-N 1 0 161.220 1.067 20 0 ADADRO C[C@@H]([NH3+])C(=O)N[C@@H]1CC12CCCCC2 307134970 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MSELJXIRZUOPML-RKDXNWHRSA-N 1 0 198.310 1.371 20 0 ADADRO C[C@@H]([NH3+])C(=O)NC1CCCCCC1 37388580 168357593 /nfs/dbraw/zinc/35/75/93/168357593.db2.gz HAJOFPXCCZBOFS-MRVPVSSYSA-N 1 0 184.283 1.173 20 0 ADADRO C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C 37807134 168357670 /nfs/dbraw/zinc/35/76/70/168357670.db2.gz HSIZQGHXIQGYFI-HTQZYQBOSA-N 1 0 186.299 1.227 20 0 ADADRO C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(C)(C)C 306688400 168357686 /nfs/dbraw/zinc/35/76/86/168357686.db2.gz MSELJXIRZUOPML-BDAKNGLRSA-N 1 0 198.310 1.371 20 0 ADADRO C[C@@H]([NH3+])C(=O)NC1CCCCCCC1 19440456 168357812 /nfs/dbraw/zinc/35/78/12/168357812.db2.gz XYNPWWATWUEWNE-SECBINFHSA-N 1 0 198.310 1.563 20 0 ADADRO C[C@@H]([NH3+])C(=O)N[C@H](C)C1CCCCC1 52342193 168357825 /nfs/dbraw/zinc/35/78/25/168357825.db2.gz GXHNRJCYUYRTHO-RKDXNWHRSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 226673942 168357967 /nfs/dbraw/zinc/35/79/67/168357967.db2.gz JRVVWIHLLWEVGW-RXMQYKEDSA-N 1 0 199.641 1.021 20 0 ADADRO 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C[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 34679220 168359376 /nfs/dbraw/zinc/35/93/76/168359376.db2.gz RLHYPWJBPDJDNV-KYXWUPHJSA-N 1 0 198.310 1.275 20 0 ADADRO C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C(C)(C)C1 335027167 168359410 /nfs/dbraw/zinc/35/94/10/168359410.db2.gz CSXDIPGWYCRPRM-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@@H]([NH3+])C(=O)N(C)Cc1ccsc1 35719301 168359447 /nfs/dbraw/zinc/35/94/47/168359447.db2.gz RXISAMZRDSMQIJ-SSDOTTSWSA-N 1 0 198.291 1.054 20 0 ADADRO C[C@@H]([NH3+])C(=O)N1CCC[C@H]2CCC[C@H]21 83700912 168359455 /nfs/dbraw/zinc/35/94/55/168359455.db2.gz VAKXSFHTCYEOAZ-OPRDCNLKSA-N 1 0 196.294 1.125 20 0 ADADRO C[C@@H]([NH3+])C(=O)NCCC1CCCCC1 37740208 168359468 /nfs/dbraw/zinc/35/94/68/168359468.db2.gz GUKUTWZLJIHETG-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NC(C1CC1)C1CC1 42372504 168359573 /nfs/dbraw/zinc/35/95/73/168359573.db2.gz HPKLVKMDGPEGDT-SSDOTTSWSA-N 1 0 196.294 1.029 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCCCCC1 37475666 168359666 /nfs/dbraw/zinc/35/96/66/168359666.db2.gz IFOJBTPPYITQMN-SECBINFHSA-N 1 0 184.283 1.126 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NC1CCCCC1 37475607 168359707 /nfs/dbraw/zinc/35/97/07/168359707.db2.gz XPNXPOIVUIVAHG-MRVPVSSYSA-N 1 0 184.283 1.173 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N(C)c1ccccc1 77277107 168359717 /nfs/dbraw/zinc/35/97/17/168359717.db2.gz PHBKOWCITFOYKF-SECBINFHSA-N 1 0 192.262 1.387 20 0 ADADRO C[C@@H]([NH3+])CC(=O)Nc1cccc(F)c1 37475863 168359784 /nfs/dbraw/zinc/35/97/84/168359784.db2.gz FPSFIRYMCDYEMW-SSDOTTSWSA-N 1 0 196.225 1.502 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NC1(C)CCCCC1 45046997 168360036 /nfs/dbraw/zinc/36/00/36/168360036.db2.gz JFPCTPPXXPYMEE-SECBINFHSA-N 1 0 198.310 1.563 20 0 ADADRO C[C@@H]([NH3+])CC(=O)Nc1ccc(O)cc1 37476618 168360108 /nfs/dbraw/zinc/36/01/08/168360108.db2.gz MMWXYNRQFASBTP-SSDOTTSWSA-N 1 0 194.234 1.068 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCC(C)(C)CC1 61821095 168360122 /nfs/dbraw/zinc/36/01/22/168360122.db2.gz HKYVSMISKLMGIU-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H](C)C1 335028452 168360131 /nfs/dbraw/zinc/36/01/31/168360131.db2.gz LADRQULSIYHXRN-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]([NH3+])CC(=O)Nc1ccccc1F 37475883 168360175 /nfs/dbraw/zinc/36/01/75/168360175.db2.gz BYKUPWNNHJAACL-SSDOTTSWSA-N 1 0 196.225 1.502 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NCc1ccccc1 37475730 168360287 /nfs/dbraw/zinc/36/02/87/168360287.db2.gz LHMGYEYPEDHMEK-SECBINFHSA-N 1 0 192.262 1.040 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC1(C)C 306537693 168360316 /nfs/dbraw/zinc/36/03/16/168360316.db2.gz JAJOVLSGYHQMCC-RKDXNWHRSA-N 1 0 198.310 1.371 20 0 ADADRO C[C@@H]([NH3+])CC(=O)Nc1cccc(O)c1 40495375 168360347 /nfs/dbraw/zinc/36/03/47/168360347.db2.gz BVFVWCOXWMIUEO-SSDOTTSWSA-N 1 0 194.234 1.068 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N(C)C1CCCC1 37654605 168360608 /nfs/dbraw/zinc/36/06/08/168360608.db2.gz RHKZTXFKCPEQNC-MRVPVSSYSA-N 1 0 184.283 1.125 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C 37475626 168360696 /nfs/dbraw/zinc/36/06/96/168360696.db2.gz MYJVNJMAPKOLFE-RKDXNWHRSA-N 1 0 184.283 1.125 20 0 ADADRO C[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1 37475875 168360717 /nfs/dbraw/zinc/36/07/17/168360717.db2.gz XIEQVDQETAARKQ-SSDOTTSWSA-N 1 0 196.225 1.502 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCC2(CCC2)C1 307385110 168360925 /nfs/dbraw/zinc/36/09/25/168360925.db2.gz KGWGHGXQGSYAHP-SECBINFHSA-N 1 0 196.294 1.126 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NCc1cccs1 37476129 168360958 /nfs/dbraw/zinc/36/09/58/168360958.db2.gz ZQHNEPZEGWDAOS-SSDOTTSWSA-N 1 0 198.291 1.102 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N(C)C1CCCCC1 37475846 168360965 /nfs/dbraw/zinc/36/09/65/168360965.db2.gz YIEQYAPASCTKEI-SECBINFHSA-N 1 0 198.310 1.515 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCCCCCC1 37476047 168360991 /nfs/dbraw/zinc/36/09/91/168360991.db2.gz XNCCKXKKDITOOE-SNVBAGLBSA-N 1 0 198.310 1.516 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NCC1CCCC1 37476177 168360994 /nfs/dbraw/zinc/36/09/94/168360994.db2.gz IQVWKKGAJHLGLB-MRVPVSSYSA-N 1 0 184.283 1.030 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NC1(C)CCCC1 42188056 168361010 /nfs/dbraw/zinc/36/10/10/168361010.db2.gz DZGINXHQLSGSJM-MRVPVSSYSA-N 1 0 184.283 1.173 20 0 ADADRO C[C@@H]([NH3+])C1=NCc2ccccc2N1 71372348 168361038 /nfs/dbraw/zinc/36/10/38/168361038.db2.gz GIMMXJVVWMBWRY-SSDOTTSWSA-N 1 0 175.235 1.167 20 0 ADADRO C[C@@H]([NH3+])CCC(=O)OC(C)(C)C 39209038 168361079 /nfs/dbraw/zinc/36/10/79/168361079.db2.gz WAOWMAGPPDFHBR-SSDOTTSWSA-N 1 0 173.256 1.456 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N1CCCC(C)(C)C1 69794038 168361153 /nfs/dbraw/zinc/36/11/53/168361153.db2.gz WADGNFBTKYWWAY-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NC1CCCCCC1 37476109 168361211 /nfs/dbraw/zinc/36/12/11/168361211.db2.gz SSJQKXLRTDSLET-SECBINFHSA-N 1 0 198.310 1.563 20 0 ADADRO C[C@@H]([NH3+])CN1Cc2ccccc2C1 50910779 168361504 /nfs/dbraw/zinc/36/15/04/168361504.db2.gz SPFXUCRQXYGVNX-SECBINFHSA-N 1 0 176.263 1.349 20 0 ADADRO C[C@@H]([NH3+])CN1CCc2ccccc21 22215741 168361546 /nfs/dbraw/zinc/36/15/46/168361546.db2.gz YTOGUJXEBJDRRI-SECBINFHSA-N 1 0 176.263 1.396 20 0 ADADRO C[C@@H]([NH3+])CN(C)Cc1ccccc1 19398802 168361724 /nfs/dbraw/zinc/36/17/24/168361724.db2.gz AVTMHOATGUADSI-SNVBAGLBSA-N 1 0 178.279 1.466 20 0 in-vitro ADADRO C[C@@H]([NH3+])CN1c2ccccc2C[C@H]1C 36988610 168361760 /nfs/dbraw/zinc/36/17/60/168361760.db2.gz GMJBWBMMQLUBLN-NXEZZACHSA-N 1 0 190.290 1.785 20 0 ADADRO C[C@@H]([NH3+])CN1CCc2sccc2C1 20072151 168361924 /nfs/dbraw/zinc/36/19/24/168361924.db2.gz WSRQCLOKJCHMLU-MRVPVSSYSA-N 1 0 196.319 1.453 20 0 ADADRO C[C@@H]([NH3+])CN1CCc2ccsc2C1 334965958 168361974 /nfs/dbraw/zinc/36/19/74/168361974.db2.gz CCOOMPMQBBQNHA-MRVPVSSYSA-N 1 0 196.319 1.453 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCC[C@H]1C1CCC1 306148350 168362028 /nfs/dbraw/zinc/36/20/28/168362028.db2.gz BADCVWFTQYVDSO-KOLCDFICSA-N 1 0 182.311 1.598 20 0 ADADRO C[C@@H](N)C[N@H+](C)C1CCCCCC1 36328410 168362111 /nfs/dbraw/zinc/36/21/11/168362111.db2.gz LHUQMWZBDWNISO-SNVBAGLBSA-N 1 0 184.327 1.988 20 0 ADADRO C[C@@H]([NH3+])CN(C)Cc1cccs1 35717780 168362211 /nfs/dbraw/zinc/36/22/11/168362211.db2.gz WAFGMMYOHYZTIM-MRVPVSSYSA-N 1 0 184.308 1.527 20 0 ADADRO C[C@@H]([NH3+])CN(C)Cc1ccccc1F 42307438 168362251 /nfs/dbraw/zinc/36/22/51/168362251.db2.gz JFZHMZWOUKMQBZ-SECBINFHSA-N 1 0 196.269 1.605 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCC[C@@H]1C1CCC1 306148351 168362277 /nfs/dbraw/zinc/36/22/77/168362277.db2.gz BADCVWFTQYVDSO-MWLCHTKSSA-N 1 0 182.311 1.598 20 0 ADADRO C[C@@H]([NH3+])CN(C)c1cccc(O)c1 307188142 168362354 /nfs/dbraw/zinc/36/23/54/168362354.db2.gz AXIUSRYOBBKYBD-MRVPVSSYSA-N 1 0 180.251 1.176 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCC[C@@H]1C(C)(C)C 108297376 168362372 /nfs/dbraw/zinc/36/23/72/168362372.db2.gz UKULXQNPBZMUKP-NXEZZACHSA-N 1 0 184.327 1.844 20 0 ADADRO C[C@@H](N)C[N@H+](C)CC1CCCCC1 42318071 168362394 /nfs/dbraw/zinc/36/23/94/168362394.db2.gz LYKQTNLVKVGMJT-SNVBAGLBSA-N 1 0 184.327 1.846 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCCC[C@H]1C 36882753 168362420 /nfs/dbraw/zinc/36/24/20/168362420.db2.gz LNIRWWJFQOFQOG-RKDXNWHRSA-N 1 0 156.273 1.208 20 0 ADADRO C[C@@H]([NH3+])CN(C)Cc1cccc(F)c1 20293316 168362557 /nfs/dbraw/zinc/36/25/57/168362557.db2.gz PBPMSSWLPNZXIH-SECBINFHSA-N 1 0 196.269 1.605 20 0 ADADRO C[C@@H](N)C[N@H+](C)C1CCCCC1 22168517 168362617 /nfs/dbraw/zinc/36/26/17/168362617.db2.gz SMUCHFQBYOYEII-SECBINFHSA-N 1 0 170.300 1.598 20 0 ADADRO C[C@@H]([NH3+])CCc1nccs1 39134503 168362786 /nfs/dbraw/zinc/36/27/86/168362786.db2.gz HTCZKCNHMRQONZ-ZCFIWIBFSA-N 1 0 156.254 1.423 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCCC[C@@H](C)C1 334966855 168363056 /nfs/dbraw/zinc/36/30/56/168363056.db2.gz IIEJGZKPDDLIRD-NXEZZACHSA-N 1 0 170.300 1.456 20 0 ADADRO C[C@@H]([NH3+])CN(C)CC(C)(C)C 45072252 168363100 /nfs/dbraw/zinc/36/31/00/168363100.db2.gz MHWZGVFMGCKJEB-MRVPVSSYSA-N 1 0 158.289 1.312 20 0 ADADRO C[C@@H]([NH3+])CN1CCCC(C)(C)C1 69793167 168363171 /nfs/dbraw/zinc/36/31/71/168363171.db2.gz AHMHZUTXOWNCHB-SECBINFHSA-N 1 0 170.300 1.456 20 0 ADADRO C[C@@H]([NH3+])CN(C)Cc1ccsc1 35719396 168363197 /nfs/dbraw/zinc/36/31/97/168363197.db2.gz IHWJUZQDBBPVFO-MRVPVSSYSA-N 1 0 184.308 1.527 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCC[C@H]1C(C)(C)C 251132028 168363229 /nfs/dbraw/zinc/36/32/29/168363229.db2.gz UKULXQNPBZMUKP-ZJUUUORDSA-N 1 0 184.327 1.844 20 0 ADADRO C[C@@H](N)C[N@H+](C)CC1CCC1 61455965 168363237 /nfs/dbraw/zinc/36/32/37/168363237.db2.gz RDVFHJPDVZVLKB-MRVPVSSYSA-N 1 0 156.273 1.066 20 0 ADADRO C[C@@H](N)C[N@H+](C)C1CCCC1 37084323 168363346 /nfs/dbraw/zinc/36/33/46/168363346.db2.gz KTMPIUFFKFDZCE-MRVPVSSYSA-N 1 0 156.273 1.208 20 0 ADADRO C[C@@H]([NH3+])CN(C)Cc1ccc(F)cc1 42436990 168363396 /nfs/dbraw/zinc/36/33/96/168363396.db2.gz PXSWVHUPSXPSQQ-SECBINFHSA-N 1 0 196.269 1.605 20 0 ADADRO C[C@@H]([NH3+])CN(C)c1ccc(F)cc1 20239481 168363487 /nfs/dbraw/zinc/36/34/87/168363487.db2.gz MAGBMZFCEHDOJG-MRVPVSSYSA-N 1 0 182.242 1.609 20 0 ADADRO C[C@@H](N)C[N@@H+]1CCC[C@@H]1C1CCCC1 45073106 168363555 /nfs/dbraw/zinc/36/35/55/168363555.db2.gz 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19966578 168369419 /nfs/dbraw/zinc/36/94/19/168369419.db2.gz QQEQQQPXWYBVPI-MRVPVSSYSA-N 1 0 181.235 1.077 20 0 ADADRO C[C@@H]([NH3+])c1cccc(-n2cncn2)c1 72266536 168369613 /nfs/dbraw/zinc/36/96/13/168369613.db2.gz YORJPTCHURTTBO-MRVPVSSYSA-N 1 0 188.234 1.287 20 0 in-vitro ADADRO C[C@@H]([NH3+])c1ccc(N)c(F)c1 20550835 168369635 /nfs/dbraw/zinc/36/96/35/168369635.db2.gz KYZMQWXZGDPAJC-RXMQYKEDSA-N 1 0 154.188 1.428 20 0 ADADRO C[C@@H]([NH3+])c1ccc(C2COC2)cc1 96028793 168369757 /nfs/dbraw/zinc/36/97/57/168369757.db2.gz WMPQPHUIQKMBQI-MRVPVSSYSA-N 1 0 177.247 1.820 20 0 ADADRO C[C@@H]([NH3+])c1ccc([S@@](C)=O)cc1 83255476 168369892 /nfs/dbraw/zinc/36/98/92/168369892.db2.gz HXQQCOSSICGIMN-KRTXAFLBSA-N 1 0 183.276 1.444 20 0 ADADRO C[C@@H]([NH3+])c1cccc(N(C)C)c1 39081947 168370102 /nfs/dbraw/zinc/37/01/02/168370102.db2.gz YEMNVCITOAWNKC-MRVPVSSYSA-N 1 0 164.252 1.772 20 0 ADADRO C[C@@H]([NH3+])c1cc(F)ccc1N 75845405 168370129 /nfs/dbraw/zinc/37/01/29/168370129.db2.gz JLTCGWBRNSZJIX-RXMQYKEDSA-N 1 0 154.188 1.428 20 0 ADADRO C[C@@H]([NH3+])c1cc(C2CC2)no1 82841633 168370209 /nfs/dbraw/zinc/37/02/09/168370209.db2.gz VOWJIWAFBTXNRX-RXMQYKEDSA-N 1 0 152.197 1.572 20 0 ADADRO C[C@@H]([NH3+])c1cc(F)nc(F)c1 217547989 168370349 /nfs/dbraw/zinc/37/03/49/168370349.db2.gz PIOVROIWCWWIMM-SCSAIBSYSA-N 1 0 158.151 1.380 20 0 ADADRO C[C@@H]([NH3+])c1ccc(F)cc1N(C)C 82162911 168370509 /nfs/dbraw/zinc/37/05/09/168370509.db2.gz PJQLOHCOHORGIJ-SSDOTTSWSA-N 1 0 182.242 1.911 20 0 ADADRO C[C@@H]([NH3+])c1ccc([S@](C)=O)cc1 83255472 168370708 /nfs/dbraw/zinc/37/07/08/168370708.db2.gz HXQQCOSSICGIMN-JMCQJSRRSA-N 1 0 183.276 1.444 20 0 ADADRO C[C@@H]([NH3+])c1cc(Cl)ccn1 82406148 168370772 /nfs/dbraw/zinc/37/07/72/168370772.db2.gz CRJWHVHYCRSVFV-RXMQYKEDSA-N 1 0 156.616 1.755 20 0 ADADRO C[C@@H]([NH3+])c1cc(F)ccn1 238423672 168370931 /nfs/dbraw/zinc/37/09/31/168370931.db2.gz JLWBNANFBVXBSG-RXMQYKEDSA-N 1 0 140.161 1.240 20 0 ADADRO C[C@@H]([NH3+])c1ccc(O)c2ncccc12 71453877 168370986 /nfs/dbraw/zinc/37/09/86/168370986.db2.gz MVVXTOPFBHWKSI-SSDOTTSWSA-N 1 0 188.230 1.960 20 0 ADADRO C[C@@H]([NH3+])c1cnc2[nH]ccc2c1 79030874 168371500 /nfs/dbraw/zinc/37/15/00/168371500.db2.gz ZEFLISYWTYQYTC-ZCFIWIBFSA-N 1 0 161.208 1.583 20 0 ADADRO C[C@@H]([NH3+])c1cnn(CC2CC2)c1 54716932 168371552 /nfs/dbraw/zinc/37/15/52/168371552.db2.gz OBEHLGFSKLHEFR-SSDOTTSWSA-N 1 0 165.240 1.313 20 0 ADADRO C[C@@H]([NH3+])c1cnn(C[C@@H]2CCCO2)c1 54716864 168371567 /nfs/dbraw/zinc/37/15/67/168371567.db2.gz CCQACWXMSVVZID-SCZZXKLOSA-N 1 0 195.266 1.082 20 0 ADADRO C[C@@H]([NH3+])c1cccc(S(C)(=O)=O)c1 82912010 168371638 /nfs/dbraw/zinc/37/16/38/168371638.db2.gz OZXBHQHDKSSLMS-SSDOTTSWSA-N 1 0 199.275 1.110 20 0 ADADRO C[C@@H]([NH3+])c1ccccc1CO 3645361 168372187 /nfs/dbraw/zinc/37/21/87/168372187.db2.gz FZBFLFFXMNPDIV-SSDOTTSWSA-N 1 0 151.209 1.199 20 0 ADADRO C[C@@H]([NH3+])c1ccccc1S(C)(=O)=O 82912013 168372394 /nfs/dbraw/zinc/37/23/94/168372394.db2.gz YWPAIOBGKCDKQA-SSDOTTSWSA-N 1 0 199.275 1.110 20 0 ADADRO C[C@@H]([NH3+])c1cnn(C[C@H]2CCCO2)c1 54716866 168372995 /nfs/dbraw/zinc/37/29/95/168372995.db2.gz CCQACWXMSVVZID-PSASIEDQSA-N 1 0 195.266 1.082 20 0 ADADRO C[C@@H]([NH3+])c1ccncc1F 83570789 168373062 /nfs/dbraw/zinc/37/30/62/168373062.db2.gz CKEIEOLXLLJFSA-RXMQYKEDSA-N 1 0 140.161 1.240 20 0 in-vitro ADADRO C[C@@H]([NH3+])c1ncc(Cl)s1 84329938 168373664 /nfs/dbraw/zinc/37/36/64/168373664.db2.gz IKCZECQCSFJWHM-GSVOUGTGSA-N 1 0 162.645 1.816 20 0 ADADRO C[C@@H]([NH3+])c1nccc(C2CC2)n1 70951668 168375024 /nfs/dbraw/zinc/37/50/24/168375024.db2.gz IFCPXZABUMXAIF-ZCFIWIBFSA-N 1 0 163.224 1.374 20 0 ADADRO C[C@@H]([NH3+])c1ncc(Cl)cn1 95642194 168375584 /nfs/dbraw/zinc/37/55/84/168375584.db2.gz RIVDKPXWXNEIHC-SCSAIBSYSA-N 1 0 157.604 1.150 20 0 ADADRO C[C@@H](NC(=O)CC[NH3+])C1CCCCC1 52340704 168376239 /nfs/dbraw/zinc/37/62/39/168376239.db2.gz VXGZWBYQVMDPMN-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H](NC(=O)C[NH3+])C1CCCCC1 52342197 168376383 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168396022 /nfs/dbraw/zinc/39/60/22/168396022.db2.gz RTCHTYFCIQYJIA-IWSPIJDZSA-N 1 0 157.257 1.145 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CCc2ccccc21 35601934 168396055 /nfs/dbraw/zinc/39/60/55/168396055.db2.gz MYIQVFTYOCTVKI-BXKDBHETSA-N 1 0 191.274 1.644 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](C)C1 70643051 168396078 /nfs/dbraw/zinc/39/60/78/168396078.db2.gz KXWJDNWTGJKDSJ-IWSPIJDZSA-N 1 0 157.257 1.145 20 0 ADADRO C[C@@H](O)C[NH2+]Cc1ccc(Cl)o1 37487039 168396237 /nfs/dbraw/zinc/39/62/37/168396237.db2.gz VKYXNNNHSUKPME-ZCFIWIBFSA-N 1 0 189.642 1.403 20 0 ADADRO C[C@@H](O)C[NH2+][C@H](C)c1cccs1 35601986 168396265 /nfs/dbraw/zinc/39/62/65/168396265.db2.gz PKMSHQXUAKNYJJ-HTQZYQBOSA-N 1 0 185.292 1.780 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CCCC12CCC2 307216574 168396380 /nfs/dbraw/zinc/39/63/80/168396380.db2.gz FOULGKALJQFNNS-ZJUUUORDSA-N 1 0 183.295 1.680 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)C1 70643049 168396394 /nfs/dbraw/zinc/39/63/94/168396394.db2.gz KXWJDNWTGJKDSJ-HLTSFMKQSA-N 1 0 157.257 1.145 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C 306399519 168396409 /nfs/dbraw/zinc/39/64/09/168396409.db2.gz NFUWYEMDCLANBB-HTQZYQBOSA-N 1 0 157.257 1.145 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1CCc2ccccc21 35601936 168396413 /nfs/dbraw/zinc/39/64/13/168396413.db2.gz MYIQVFTYOCTVKI-SKDRFNHKSA-N 1 0 191.274 1.644 20 0 ADADRO C[C@@H](O)C[NH2+][C@H](C)c1ccccc1 32007328 168396511 /nfs/dbraw/zinc/39/65/11/168396511.db2.gz NFXLZPVBFZLNKO-NXEZZACHSA-N 1 0 179.263 1.718 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 306957955 168396578 /nfs/dbraw/zinc/39/65/78/168396578.db2.gz USSQYLIZHKIJEY-AGVGLQIMSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](O)[C@@H](C)[N@H+](C)CC(C)(C)C 45087065 168396906 /nfs/dbraw/zinc/39/69/06/168396906.db2.gz AIMGCKBRXBQZGN-RKDXNWHRSA-N 1 0 173.300 1.734 20 0 ADADRO C[C@@H](O)[C@@H](C)[N@H+](C)Cc1cccnc1 44134030 168397478 /nfs/dbraw/zinc/39/74/78/168397478.db2.gz LKDZNZCSRCNVBT-NXEZZACHSA-N 1 0 194.278 1.283 20 0 ADADRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC1CC1 336553690 168397786 /nfs/dbraw/zinc/39/77/86/168397786.db2.gz YKUDRICLCKYUPM-KOLCDFICSA-N 1 0 183.295 1.632 20 0 ADADRO C[C@@H](O)[C@@H](C)[N@H+](C)Cc1ccccn1 44133607 168397871 /nfs/dbraw/zinc/39/78/71/168397871.db2.gz LHXPBUUFXIDVLE-NXEZZACHSA-N 1 0 194.278 1.283 20 0 ADADRO C[C@@H](O)[C@@H]([NH3+])c1ccc(F)c(F)c1 34414288 168397998 /nfs/dbraw/zinc/39/79/98/168397998.db2.gz BKMCHPFXUMNRLJ-MLUIRONXSA-N 1 0 187.189 1.345 20 0 ADADRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC1CC1 336553691 168398742 /nfs/dbraw/zinc/39/87/42/168398742.db2.gz YKUDRICLCKYUPM-MWLCHTKSSA-N 1 0 183.295 1.632 20 0 ADADRO C[C@@H](O)[C@@H]1[NH2+]Cc2ccccc21 83389213 168398973 /nfs/dbraw/zinc/39/89/73/168398973.db2.gz DLLYWUKJZXFACG-XCBNKYQSSA-N 1 0 163.220 1.212 20 0 in-vitro ADADRO C[C@@H](O)[C@H]1[NH2+]Cc2ccccc21 83389211 168399020 /nfs/dbraw/zinc/39/90/20/168399020.db2.gz DLLYWUKJZXFACG-GMSGAONNSA-N 1 0 163.220 1.212 20 0 in-vitro ADADRO C[C@@H](O)[C@H]([NH3+])c1ccc(F)c(F)c1 34414284 168399597 /nfs/dbraw/zinc/39/95/97/168399597.db2.gz BKMCHPFXUMNRLJ-ANLVUFKYSA-N 1 0 187.189 1.345 20 0 ADADRO C[C@@H](O)[C@@](C)(C[NH3+])c1ccccc1 75569541 168399779 /nfs/dbraw/zinc/39/97/79/168399779.db2.gz RMHXDGJECRFQOQ-MWLCHTKSSA-N 1 0 179.263 1.284 20 0 ADADRO C[C@@H](O)[C@](C)(C[NH3+])c1ccccc1 75569544 168399935 /nfs/dbraw/zinc/39/99/35/168399935.db2.gz RMHXDGJECRFQOQ-KOLCDFICSA-N 1 0 179.263 1.284 20 0 ADADRO C[C@@H](c1ccccc1)[C@H](C[NH3+])CO 216638426 168404519 /nfs/dbraw/zinc/40/45/19/168404519.db2.gz BYXQVWULKXYNTG-GXSJLCMTSA-N 1 0 179.263 1.357 20 0 in-vitro ADADRO C[C@@H](c1cnccn1)[NH+]1CCCC1 306183983 168406019 /nfs/dbraw/zinc/40/60/19/168406019.db2.gz BXZUICZMOPCAPV-VIFPVBQESA-N 1 0 177.251 1.633 20 0 ADADRO C[C@@H](c1cccnc1)N(C)CC[NH3+] 54416716 168406530 /nfs/dbraw/zinc/40/65/30/168406530.db2.gz DVRFHHDKFYSHOB-VIFPVBQESA-N 1 0 179.267 1.033 20 0 ADADRO C[C@@H](c1ccccc1F)N(C)CC[NH3+] 54416734 168406686 /nfs/dbraw/zinc/40/66/86/168406686.db2.gz GHXVKKPKVHBPTB-VIFPVBQESA-N 1 0 196.269 1.777 20 0 ADADRO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C[NH3+] 306676969 168411724 /nfs/dbraw/zinc/41/17/24/168411724.db2.gz XRUDNPXLCNZYAB-RKDXNWHRSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@@H]1CCCC[C@@H]1C(=O)N(C)CC[NH3+] 335283563 168415213 /nfs/dbraw/zinc/41/52/13/168415213.db2.gz NJMSVXVCUYZXOP-ZJUUUORDSA-N 1 0 198.310 1.230 20 0 ADADRO C[C@@H]1CCCC[C@@H]1CNC(=O)CC[NH3+] 44417842 168416048 /nfs/dbraw/zinc/41/60/48/168416048.db2.gz WCGUGBICGHCTGQ-NXEZZACHSA-N 1 0 198.310 1.278 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C 20052563 168416311 /nfs/dbraw/zinc/41/63/11/168416311.db2.gz ZHBQFLJSYHTMJB-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCO 42609625 168416435 /nfs/dbraw/zinc/41/64/35/168416435.db2.gz OGRFUUWRPXMNNX-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO C[C@@H]1CCCC[C@@H]1CNC(N)=[NH2+] 52020312 168416584 /nfs/dbraw/zinc/41/65/84/168416584.db2.gz KXFRBXLAJULQPG-HTQZYQBOSA-N 1 0 169.272 1.296 20 0 ADADRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCO 306674516 168417748 /nfs/dbraw/zinc/41/77/48/168417748.db2.gz QNROSICMYQYREV-ZJUUUORDSA-N 1 0 171.284 1.537 20 0 ADADRO C[C@@H]1CCCC[C@H]1C(=O)N(C)CC[NH3+] 335283560 168417854 /nfs/dbraw/zinc/41/78/54/168417854.db2.gz NJMSVXVCUYZXOP-NXEZZACHSA-N 1 0 198.310 1.230 20 0 ADADRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCN 42602222 168417916 /nfs/dbraw/zinc/41/79/16/168417916.db2.gz CONMCNYQQPZKFH-NXEZZACHSA-N 1 0 170.300 1.456 20 0 ADADRO C[C@@H]1CCCC[C@H]1C[NH2+]CCO 44417738 168418003 /nfs/dbraw/zinc/41/80/03/168418003.db2.gz CWTYPKWGUVGHKJ-ZJUUUORDSA-N 1 0 171.284 1.395 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCO 20052903 168418011 /nfs/dbraw/zinc/41/80/11/168418011.db2.gz IWNHWTZZFLTMPV-BDAKNGLRSA-N 1 0 157.257 1.147 20 0 ADADRO C[C@@H]1CCCN1C(=O)CC1(C[NH3+])CC1 335566384 168419427 /nfs/dbraw/zinc/41/94/27/168419427.db2.gz SUVNPRXJGLPBQM-SECBINFHSA-N 1 0 196.294 1.126 20 0 ADADRO C[C@@H]1CCCN(C(=O)CCC[NH3+])[C@@H]1C 50565577 168419653 /nfs/dbraw/zinc/41/96/53/168419653.db2.gz VHGOXHAAHYCTRP-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]1CCCN(C(=O)C[NH+](C)C)[C@@H]1C 334801610 168420167 /nfs/dbraw/zinc/42/01/67/168420167.db2.gz JISQBCPKFNWVPY-NXEZZACHSA-N 1 0 198.310 1.195 20 0 ADADRO C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 42170302 168421715 /nfs/dbraw/zinc/42/17/15/168421715.db2.gz NUPITCPJZGMOOX-ZJUUUORDSA-N 1 0 196.294 1.139 20 0 ADADRO C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CCC1 307228207 168422041 /nfs/dbraw/zinc/42/20/41/168422041.db2.gz HASSXHZHSNIUQG-SCZZXKLOSA-N 1 0 196.294 1.125 20 0 ADADRO C[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CCC1 307228206 168423205 /nfs/dbraw/zinc/42/32/05/168423205.db2.gz HASSXHZHSNIUQG-PSASIEDQSA-N 1 0 196.294 1.125 20 0 ADADRO C[C@@H]1CCC[C@@H](NC(=O)CC[NH3+])C1 37255751 168424667 /nfs/dbraw/zinc/42/46/67/168424667.db2.gz RYNJFMGTJXTZEN-RKDXNWHRSA-N 1 0 184.283 1.030 20 0 ADADRO C[C@@H]1CCC[C@@H](C(=O)N(C)CC[NH3+])C1 335900870 168424885 /nfs/dbraw/zinc/42/48/85/168424885.db2.gz XGBKXYPBQYJKQU-NXEZZACHSA-N 1 0 198.310 1.230 20 0 ADADRO C[C@@H]1CCC[C@@H](C)N1C(=O)CCC[NH3+] 336257990 168424898 /nfs/dbraw/zinc/42/48/98/168424898.db2.gz LSFBYTKJAWAQJS-NXEZZACHSA-N 1 0 198.310 1.515 20 0 ADADRO C[C@@H]1CCC[C@H](CNC(N)=[NH2+])C1 300356109 168426348 /nfs/dbraw/zinc/42/63/48/168426348.db2.gz XYOSSXMEWNYLBG-SFYZADRCSA-N 1 0 169.272 1.296 20 0 ADADRO C[C@@H]1CCC[C@@](C)([NH3+])C1 34380568 168426644 /nfs/dbraw/zinc/42/66/44/168426644.db2.gz YDCFHXBMJXTPLV-HTQZYQBOSA-N 1 0 127.231 1.914 20 0 ADADRO C[C@@H]1CCC[C@H](N(C)C(=O)CC[NH3+])C1 42494055 168426655 /nfs/dbraw/zinc/42/66/55/168426655.db2.gz CVWAYCLLWWIHHP-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]C2(C(N)=O)CC2)C1 306235695 168427845 /nfs/dbraw/zinc/42/78/45/168427845.db2.gz HDDQPCJWJKWBSN-BDAKNGLRSA-N 1 0 196.294 1.173 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]C(C)(C)CO)C1 20196268 168428199 /nfs/dbraw/zinc/42/81/99/168428199.db2.gz ZGYBMDDMPPKWRP-ZJUUUORDSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]CCO)C1 26515522 168428251 /nfs/dbraw/zinc/42/82/51/168428251.db2.gz ZPTFHJVBDMLVJM-BDAKNGLRSA-N 1 0 157.257 1.147 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCO1 238857012 168428389 /nfs/dbraw/zinc/42/83/89/168428389.db2.gz XQPOJXURIYOBSC-GMTAPVOTSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cnns1 307327431 168428581 /nfs/dbraw/zinc/42/85/81/168428581.db2.gz OVUGLAWGVDTVLO-VXNVDRBHSA-N 1 0 197.307 1.816 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(C)C1 252220961 168428830 /nfs/dbraw/zinc/42/88/30/168428830.db2.gz YZYLCEODQVNQLV-OUAUKWLOSA-N 1 0 182.311 1.469 20 0 ADADRO C[C@@H]1CCC[C@H]2CC[NH2+][C@@H]21 68590276 168428898 /nfs/dbraw/zinc/42/88/98/168428898.db2.gz JBDSRAWHIAVMMV-HRDYMLBCSA-N 1 0 139.242 1.785 20 0 ADADRO C[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])[C@@H]1C 307468824 168430013 /nfs/dbraw/zinc/43/00/13/168430013.db2.gz RZWIQJDGZVUSBF-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1O 299890961 168432734 /nfs/dbraw/zinc/43/27/34/168432734.db2.gz BOOADMCQVUOKPD-ZYHUDNBSSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 336265217 168432993 /nfs/dbraw/zinc/43/29/93/168432993.db2.gz YSFHIHJZWSLDMT-SNVBAGLBSA-N 1 0 193.294 1.304 20 0 ADADRO C[C@@H]1CC[N@H+](Cc2ccnn2C)C1 306538625 168433727 /nfs/dbraw/zinc/43/37/27/168433727.db2.gz PGEQCTODIQFUBB-SECBINFHSA-N 1 0 179.267 1.262 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccco1 335023856 168435022 /nfs/dbraw/zinc/43/50/22/168435022.db2.gz JLPJGDCEGOQZKJ-KOLCDFICSA-N 1 0 194.278 1.367 20 0 ADADRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccco1 335023857 168435061 /nfs/dbraw/zinc/43/50/61/168435061.db2.gz JLPJGDCEGOQZKJ-MWLCHTKSSA-N 1 0 194.278 1.367 20 0 ADADRO C[C@@H]1CC[C@@H](C)[NH+]1CCCO 6031085 168436424 /nfs/dbraw/zinc/43/64/24/168436424.db2.gz NAXTXBAUPVGPMV-RKDXNWHRSA-N 1 0 157.257 1.242 20 0 ADADRO C[C@@H]1CC[C@@H](C)[NH+]1CCc1cn[nH]c1 334549897 168437415 /nfs/dbraw/zinc/43/74/15/168437415.db2.gz XZMFORKEJPFCHB-NXEZZACHSA-N 1 0 193.294 1.825 20 0 ADADRO 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185.311 1.927 20 0 ADADRO C[C@H]1CCCC[C@H]1C[NH2+]C[C@@H](C)O 42861848 168602177 /nfs/dbraw/zinc/60/21/77/168602177.db2.gz RRSIRBMOPVJYEY-AXFHLTTASA-N 1 0 185.311 1.783 20 0 ADADRO C[C@H]1CCCN(C(=O)C[C@@H](C)[NH3+])[C@H]1C 50565684 168602943 /nfs/dbraw/zinc/60/29/43/168602943.db2.gz AYGQWKWBIINXQQ-AEJSXWLSSA-N 1 0 198.310 1.371 20 0 ADADRO C[C@H]1CCC[N@H+](CCO)[C@@H]1C 50566230 168603056 /nfs/dbraw/zinc/60/30/56/168603056.db2.gz JXVBKYDPICIZTI-DTWKUNHWSA-N 1 0 157.257 1.099 20 0 ADADRO C[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 37912015 168604482 /nfs/dbraw/zinc/60/44/82/168604482.db2.gz RDPMFOWQBYOMRQ-VIFPVBQESA-N 1 0 196.294 1.139 20 0 ADADRO C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 42170308 168605374 /nfs/dbraw/zinc/60/53/74/168605374.db2.gz NUPITCPJZGMOOX-VHSXEESVSA-N 1 0 196.294 1.139 20 0 ADADRO C[C@H]1CCC[C@@H](C)CN1C(=O)CC[NH3+] 306667858 168607347 /nfs/dbraw/zinc/60/73/47/168607347.db2.gz JWPXAECZRSHESZ-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 336631434 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Cc1cc(C2CC[NH2+]CC2)no1 82402898 168750461 /nfs/dbraw/zinc/75/04/61/168750461.db2.gz LITBAXRUGPQRJX-UHFFFAOYSA-N 1 0 166.224 1.450 20 0 ADADRO Cc1cc(CC[NH+](C)C)on1 39112917 168752489 /nfs/dbraw/zinc/75/24/89/168752489.db2.gz XSWPRZYJJORTCL-UHFFFAOYSA-N 1 0 154.213 1.087 20 0 ADADRO Cc1cc(C[N@@H+](C)C(C)C)n(C)n1 335610365 168752678 /nfs/dbraw/zinc/75/26/78/168752678.db2.gz BCUPNFUIAGFMLO-UHFFFAOYSA-N 1 0 181.283 1.569 20 0 ADADRO Cc1cc(CN2CC[NH2+]CC2)cs1 82638056 168753955 /nfs/dbraw/zinc/75/39/55/168753955.db2.gz JPBOTTMPEIZAKZ-UHFFFAOYSA-N 1 0 196.319 1.462 20 0 ADADRO Cc1cc(C[NH3+])nc(-c2ccco2)n1 54830701 168754419 /nfs/dbraw/zinc/75/44/19/168754419.db2.gz OFXIRAZIXBPJSE-UHFFFAOYSA-N 1 0 189.218 1.504 20 0 ADADRO Cc1cc(C[N@H+]2CCC[C@H]2C)no1 336631391 168754684 /nfs/dbraw/zinc/75/46/84/168754684.db2.gz GCXIRZWWJYJCRR-MRVPVSSYSA-N 1 0 180.251 1.967 20 0 ADADRO Cc1cc(C[NH2+]C2CCCC2)[nH]n1 41050790 168755756 /nfs/dbraw/zinc/75/57/56/168755756.db2.gz KQVROQWKLFDKGY-UHFFFAOYSA-N 1 0 179.267 1.750 20 0 ADADRO Cc1cc(C[NH2+]C[C@H](C)O)c(C)s1 49685641 168757184 /nfs/dbraw/zinc/75/71/84/168757184.db2.gz LFEXZKMSIXWLOB-ZETCQYMHSA-N 1 0 199.319 1.835 20 0 ADADRO Cc1cc(F)ccc1[C@H](O)CC[NH3+] 82635456 168762489 /nfs/dbraw/zinc/76/24/89/168762489.db2.gz YNLBJTPABFPPQR-SNVBAGLBSA-N 1 0 183.226 1.516 20 0 ADADRO Cc1cc(N)c(F)c(C)[nH+]1 67176132 168764483 /nfs/dbraw/zinc/76/44/83/168764483.db2.gz HQUOSTIQQILGJC-UHFFFAOYSA-N 1 0 140.161 1.420 20 0 ADADRO Cc1cc(N2C[C@H](F)[C@H](F)C2)cc[nH+]1 335436290 168768888 /nfs/dbraw/zinc/76/88/88/168768888.db2.gz VRFQLWHNUKGCMM-AOOOYVTPSA-N 1 0 198.216 1.886 20 0 ADADRO Cc1cc(NC(=O)CCC[NH3+])ccn1 11755472 168770624 /nfs/dbraw/zinc/77/06/24/168770624.db2.gz VTELISPIEBIASH-UHFFFAOYSA-N 1 0 193.250 1.067 20 0 ADADRO Cc1cc(N[C@H](C)CO)cc[nH+]1 160921651 168772377 /nfs/dbraw/zinc/77/23/77/168772377.db2.gz GDOGMEPXCZHVHB-MRVPVSSYSA-N 1 0 166.224 1.183 20 0 ADADRO Cc1cc([C@@H](C)[NH2+]C2CC2)nn1C 306544028 168778530 /nfs/dbraw/zinc/77/85/30/168778530.db2.gz XKUWELJDTWMTEA-MRVPVSSYSA-N 1 0 179.267 1.542 20 0 ADADRO Cc1cc([C@@H](O)CC[NH3+])c(C)s1 82635833 168780120 /nfs/dbraw/zinc/78/01/20/168780120.db2.gz DLWFRDRRXWYKEI-VIFPVBQESA-N 1 0 185.292 1.747 20 0 ADADRO Cc1cc([C@H](C)NC2C[NH2+]C2)oc1C 335626078 168781272 /nfs/dbraw/zinc/78/12/72/168781272.db2.gz XETGUIPYVSNMQJ-QMMMGPOBSA-N 1 0 194.278 1.519 20 0 ADADRO Cc1cc([C@H]2CCC[NH2+]2)[nH]n1 82522411 168782470 /nfs/dbraw/zinc/78/24/70/168782470.db2.gz BRBVLRUQKIZPDC-SSDOTTSWSA-N 1 0 151.213 1.143 20 0 ADADRO Cc1cc2cnccc2nc1C(N)=[NH2+] 67173623 168789978 /nfs/dbraw/zinc/78/99/78/168789978.db2.gz LRAHJYGNTRTWOA-UHFFFAOYSA-N 1 0 186.218 1.222 20 0 ADADRO Cc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1 82576635 168800769 /nfs/dbraw/zinc/80/07/69/168800769.db2.gz RVCLBLSGMWGXSS-VIFPVBQESA-N 1 0 192.262 1.072 20 0 ADADRO Cc1ccc(C)c(C[NH2+]C[C@H](C)O)c1 42209267 168803403 /nfs/dbraw/zinc/80/34/03/168803403.db2.gz DSPYJNVZQUBUJD-NSHDSACASA-N 1 0 193.290 1.774 20 0 ADADRO Cc1ccc(C)c([C@H](O)CC[NH3+])c1 19674781 168805424 /nfs/dbraw/zinc/80/54/24/168805424.db2.gz WYNAHUQORAJMEM-LLVKDONJSA-N 1 0 179.263 1.686 20 0 ADADRO Cc1ccc(C)c([C@@H](O)CC[NH3+])c1 19674779 168805467 /nfs/dbraw/zinc/80/54/67/168805467.db2.gz WYNAHUQORAJMEM-NSHDSACASA-N 1 0 179.263 1.686 20 0 ADADRO Cc1ccc(C)c([C@@H](O)C[NH3+])c1 21948664 168805763 /nfs/dbraw/zinc/80/57/63/168805763.db2.gz NNWGBFPYKKWOIO-JTQLQIEISA-N 1 0 165.236 1.296 20 0 ADADRO Cc1ccc(CC[NH2+]CCO)cc1 58519391 168811603 /nfs/dbraw/zinc/81/16/03/168811603.db2.gz FTHIYIZOQGUXMY-UHFFFAOYSA-N 1 0 179.263 1.119 20 0 ADADRO Cc1ccc(C[NH2+][C@@H](C)CO)c(C)c1 35603874 168813126 /nfs/dbraw/zinc/81/31/26/168813126.db2.gz JADPMJMCROVWIE-NSHDSACASA-N 1 0 193.290 1.774 20 0 ADADRO Cc1ccc(CNC(N)=[NH2+])s1 52019926 168814140 /nfs/dbraw/zinc/81/41/40/168814140.db2.gz QUACHZPNZPMFAW-UHFFFAOYSA-N 1 0 169.253 1.040 20 0 ADADRO Cc1ccc(C[NH2+]CC[C@@H](C)O)cc1 78780206 168814835 /nfs/dbraw/zinc/81/48/35/168814835.db2.gz 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168823903 /nfs/dbraw/zinc/82/39/03/168823903.db2.gz DTBPBACTPMYTTQ-GFCCVEGCSA-N 1 0 190.290 1.923 20 0 ADADRO Cc1ccc(NC(=O)NCC[NH3+])cc1 37895122 168824059 /nfs/dbraw/zinc/82/40/59/168824059.db2.gz UEFHDERACTYJNR-UHFFFAOYSA-N 1 0 193.250 1.075 20 0 ADADRO Cc1ccc(NC(=O)[C@@H](C)C[NH3+])cc1 44793993 168824109 /nfs/dbraw/zinc/82/41/09/168824109.db2.gz OWHLPGSYRZRFCQ-VIFPVBQESA-N 1 0 192.262 1.528 20 0 ADADRO Cc1ccc(NCCC[NH+](C)C)nn1 41045054 168826190 /nfs/dbraw/zinc/82/61/90/168826190.db2.gz INAQFRUEPNJCSX-UHFFFAOYSA-N 1 0 194.282 1.149 20 0 ADADRO Cc1ccc(OCC2([NH3+])CC2)cn1 29126820 168831539 /nfs/dbraw/zinc/83/15/39/168831539.db2.gz CZTGYKBKXXBOFL-UHFFFAOYSA-N 1 0 178.235 1.260 20 0 in-vitro ADADRO Cc1ccc([C@@H]([NH3+])C2CC2)o1 3739107 168834865 /nfs/dbraw/zinc/83/48/65/168834865.db2.gz MMTUYNKRGCVPBY-VIFPVBQESA-N 1 0 151.209 1.998 20 0 ADADRO Cc1ccc([C@@H]([NH3+])CO)c(Cl)c1 72197567 168835240 /nfs/dbraw/zinc/83/52/40/168835240.db2.gz KUUZGJDTKWZPKE-VIFPVBQESA-N 1 0 185.654 1.641 20 0 ADADRO Cc1ccc([C@@H](C)[NH2+]CC(N)=O)s1 19265572 168836375 /nfs/dbraw/zinc/83/63/75/168836375.db2.gz DMZBRYUSCDKPAK-SSDOTTSWSA-N 1 0 198.291 1.192 20 0 ADADRO Cc1ccc([C@@H]2CC[NH2+]C2)nc1 82850583 168837517 /nfs/dbraw/zinc/83/75/17/168837517.db2.gz XABNCUHXJJNVFC-SECBINFHSA-N 1 0 162.236 1.467 20 0 ADADRO Cc1ccc([C@@H](O)CC[NH3+])cc1C 19674775 168837748 /nfs/dbraw/zinc/83/77/48/168837748.db2.gz JLRRDNIICOHCPX-NSHDSACASA-N 1 0 179.263 1.686 20 0 ADADRO Cc1ccc([C@@H]2CC[NH2+]C2)o1 50267060 168837759 /nfs/dbraw/zinc/83/77/59/168837759.db2.gz OBDQWBAYTMQFLG-MRVPVSSYSA-N 1 0 151.209 1.665 20 0 ADADRO Cc1ccc([C@@H]2CC[NH2+]C2)cn1 82404754 168837782 /nfs/dbraw/zinc/83/77/82/168837782.db2.gz RNWIAHGPFLARLR-SNVBAGLBSA-N 1 0 162.236 1.467 20 0 ADADRO Cc1ccc([C@H](C)[NH2+]CCO)cc1 20597104 168840148 /nfs/dbraw/zinc/84/01/48/168840148.db2.gz VBAOIEZUGPEEHH-JTQLQIEISA-N 1 0 179.263 1.638 20 0 ADADRO Cc1ccc([C@H](C)[NH2+]CCO)c(C)c1 20597006 168841258 /nfs/dbraw/zinc/84/12/58/168841258.db2.gz 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C[C@H]1C[C@@H]1C[NH2+]Cc1cccnc1 136249680 343978106 /nfs/dbraw/zinc/97/81/06/343978106.db2.gz XPFHUDCCARMNSH-GXSJLCMTSA-N 1 0 176.263 1.827 20 0 ADADRO Clc1cc([C@H]2CC[NH2+]C2)ccn1 83275179 169021407 /nfs/dbraw/zinc/02/14/07/169021407.db2.gz FSTJCTGFHLJQHX-QMMMGPOBSA-N 1 0 182.654 1.812 20 0 ADADRO Clc1cc([C@@H]2CC[NH2+]C2)ccn1 83275178 169021729 /nfs/dbraw/zinc/02/17/29/169021729.db2.gz FSTJCTGFHLJQHX-MRVPVSSYSA-N 1 0 182.654 1.812 20 0 ADADRO Clc1cc2c(cn1)CC[NH2+]C2 85223484 169022374 /nfs/dbraw/zinc/02/23/74/169022374.db2.gz RLNPCQYWZZVSLT-UHFFFAOYSA-N 1 0 168.627 1.381 20 0 ADADRO Clc1ccc(N[C@@H]2CC[NH2+]C2)nc1 52093902 169022690 /nfs/dbraw/zinc/02/26/90/169022690.db2.gz UOZWEOLDRHUIDP-MRVPVSSYSA-N 1 0 197.669 1.509 20 0 ADADRO Clc1ccc(N[C@H]2CC[NH2+]C2)nc1 52093903 169023016 /nfs/dbraw/zinc/02/30/16/169023016.db2.gz UOZWEOLDRHUIDP-QMMMGPOBSA-N 1 0 197.669 1.509 20 0 ADADRO Clc1ccc(OC2C[NH2+]C2)nc1 62810074 169023755 /nfs/dbraw/zinc/02/37/55/169023755.db2.gz 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/nfs/dbraw/zinc/02/60/37/169026037.db2.gz USKFNALSRMYUJC-ZETCQYMHSA-N 1 0 183.642 1.555 20 0 ADADRO Clc1cnccc1C[NH2+]C1CC1 83340753 169026254 /nfs/dbraw/zinc/02/62/54/169026254.db2.gz WOWHIIPAHGBZBR-UHFFFAOYSA-N 1 0 182.654 1.987 20 0 ADADRO Clc1cnn(CC[NH+]2CCCC2)c1 306558474 169026493 /nfs/dbraw/zinc/02/64/93/169026493.db2.gz PIQXGKSNMYJEOZ-UHFFFAOYSA-N 1 0 199.685 1.632 20 0 ADADRO Clc1ccnc2c1CC[NH2+]C2 95642698 169026536 /nfs/dbraw/zinc/02/65/36/169026536.db2.gz KJQOPYSRMZFLBH-UHFFFAOYSA-N 1 0 168.627 1.381 20 0 ADADRO Clc1cnc([C@H]2CC[NH2+]C2)nc1 95642189 169026803 /nfs/dbraw/zinc/02/68/03/169026803.db2.gz ORNZXZSEMJFUAP-LURJTMIESA-N 1 0 183.642 1.207 20 0 ADADRO Clc1cnc([C@H]2CCC[NH2+]2)nc1 95642165 169026843 /nfs/dbraw/zinc/02/68/43/169026843.db2.gz USKFNALSRMYUJC-SSDOTTSWSA-N 1 0 183.642 1.555 20 0 ADADRO Clc1cnc([C@@H]2CC[NH2+]C2)nc1 95642188 169026901 /nfs/dbraw/zinc/02/69/01/169026901.db2.gz ORNZXZSEMJFUAP-ZCFIWIBFSA-N 1 0 183.642 1.207 20 0 ADADRO Clc1nccc2c1C[NH2+]CC2 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Cn1cc(C[NH+]2CCCCCC2)cn1 307465848 169037645 /nfs/dbraw/zinc/03/76/45/169037645.db2.gz JRBYKGWWCXRURU-UHFFFAOYSA-N 1 0 193.294 1.796 20 0 ADADRO Cn1cc(C[NH2+]CC(C)(C)C)cn1 40492690 169037854 /nfs/dbraw/zinc/03/78/54/169037854.db2.gz SENSTMHWSHZGSX-UHFFFAOYSA-N 1 0 181.283 1.556 20 0 ADADRO Cn1cc(C[NH2+]CC2CCC2)cn1 37179588 169037919 /nfs/dbraw/zinc/03/79/19/169037919.db2.gz XUWHQTIPYHAJSQ-UHFFFAOYSA-N 1 0 179.267 1.310 20 0 ADADRO Cn1cc(C[NH3+])c(-c2ccsc2)n1 82637078 169037924 /nfs/dbraw/zinc/03/79/24/169037924.db2.gz IKJXBLVYKVMLSK-UHFFFAOYSA-N 1 0 193.275 1.607 20 0 ADADRO Cn1cc(C[NH2+]CC2CCCC2)nn1 54859156 169038015 /nfs/dbraw/zinc/03/80/15/169038015.db2.gz ZUSNEONGQSLJNF-UHFFFAOYSA-N 1 0 194.282 1.095 20 0 ADADRO Cn1cc(C[NH2+]C2(C)CCCC2)nn1 54860886 169038019 /nfs/dbraw/zinc/03/80/19/169038019.db2.gz JBDYLXSSHCYDKS-UHFFFAOYSA-N 1 0 194.282 1.237 20 0 ADADRO Cn1cc(C[NH2+]C2CCCC2)cn1 11920297 169038103 /nfs/dbraw/zinc/03/81/03/169038103.db2.gz JCGGRYYPDFERDR-UHFFFAOYSA-N 1 0 179.267 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169039398 /nfs/dbraw/zinc/03/93/98/169039398.db2.gz OCDSOHJQZCNXKY-JTQLQIEISA-N 1 0 193.294 1.698 20 0 ADADRO Cn1cc(C[NH2+][C@@H]2CC[C@H](F)C2)cn1 306677408 169039556 /nfs/dbraw/zinc/03/95/56/169039556.db2.gz YRYKVNXUAFEFOA-VHSXEESVSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cc(C[NH2+][C@@H]2CCSC2)cn1 41054633 169039731 /nfs/dbraw/zinc/03/97/31/169039731.db2.gz AWSUPCUKDDZTMW-SECBINFHSA-N 1 0 197.307 1.015 20 0 ADADRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2F)cn1 306947904 169039747 /nfs/dbraw/zinc/03/97/47/169039747.db2.gz REDRKHNXMTZQQN-VHSXEESVSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cc(C[NH2+][C@H]2CCC2(C)C)nn1 307091087 169039929 /nfs/dbraw/zinc/03/99/29/169039929.db2.gz XADSIYHCJYQGGK-VIFPVBQESA-N 1 0 194.282 1.093 20 0 ADADRO Cn1cc(C[NH2+][C@@H]2CCC2(C)C)cn1 306901384 169039996 /nfs/dbraw/zinc/03/99/96/169039996.db2.gz OCDSOHJQZCNXKY-SNVBAGLBSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)cn1 306677406 169040056 /nfs/dbraw/zinc/04/00/56/169040056.db2.gz 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Cn1cc(C[NH2+][C@H]2CCC[C@H]2F)cn1 307759299 169040738 /nfs/dbraw/zinc/04/07/38/169040738.db2.gz REDRKHNXMTZQQN-ZJUUUORDSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cc([C@@H]2[NH2+]CC2(C)C)cn1 225442650 169042159 /nfs/dbraw/zinc/04/21/59/169042159.db2.gz ILBHCBYSCFDZRP-QMMMGPOBSA-N 1 0 165.240 1.091 20 0 ADADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC1 107422791 169043262 /nfs/dbraw/zinc/04/32/62/169043262.db2.gz DEFWZZSIRIGEHK-JTQLQIEISA-N 1 0 191.278 1.550 20 0 ADADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC1 107422793 169043307 /nfs/dbraw/zinc/04/33/07/169043307.db2.gz DEFWZZSIRIGEHK-SNVBAGLBSA-N 1 0 191.278 1.550 20 0 ADADRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCF 306438012 169043534 /nfs/dbraw/zinc/04/35/34/169043534.db2.gz HXAPVTHRXTVGQU-VIFPVBQESA-N 1 0 197.257 1.357 20 0 ADADRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCF 306438011 169043684 /nfs/dbraw/zinc/04/36/84/169043684.db2.gz HXAPVTHRXTVGQU-SECBINFHSA-N 1 0 197.257 1.357 20 0 ADADRO Cn1cc([C@H]2[NH2+]CC2(C)C)cn1 225442694 169043993 /nfs/dbraw/zinc/04/39/93/169043993.db2.gz ILBHCBYSCFDZRP-MRVPVSSYSA-N 1 0 165.240 1.091 20 0 ADADRO Cn1ccc(C[NH2+]C2CCCCC2)n1 112337987 169044238 /nfs/dbraw/zinc/04/42/38/169044238.db2.gz LSWQDKGAVTXKPQ-UHFFFAOYSA-N 1 0 193.294 1.842 20 0 ADADRO Cn1ccc(C[NH+]2CCCC2)c1 306367703 169044254 /nfs/dbraw/zinc/04/42/54/169044254.db2.gz BZDKBAROXWVNIN-UHFFFAOYSA-N 1 0 164.252 1.621 20 0 ADADRO Cn1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c1 127272076 169044297 /nfs/dbraw/zinc/04/42/97/169044297.db2.gz ZWJWGCNHOMOSSH-GHMZBOCLSA-N 1 0 194.278 1.028 20 0 ADADRO Cn1ccc(C[N@@H+]2CCC(C)(C)C2)n1 334311837 169044359 /nfs/dbraw/zinc/04/43/59/169044359.db2.gz SEFGJGPWBHXNSJ-UHFFFAOYSA-N 1 0 193.294 1.652 20 0 ADADRO Cn1ccc(C[NH2+]C2CCC2)c1 82587615 169044631 /nfs/dbraw/zinc/04/46/31/169044631.db2.gz XFXSQQOWMPVKRE-UHFFFAOYSA-N 1 0 164.252 1.667 20 0 ADADRO Cn1ccc(C[NH2+]C2CSC2)c1 76607340 169044684 /nfs/dbraw/zinc/04/46/84/169044684.db2.gz RTKRAPQPDLJCFY-UHFFFAOYSA-N 1 0 182.292 1.230 20 0 ADADRO Cn1ccc(C[NH2+]C2CC(C)(C)C2)n1 306674757 169044715 /nfs/dbraw/zinc/04/47/15/169044715.db2.gz RAUHFCGSCOEDRH-UHFFFAOYSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1ccc(C(C)(C)C[NH3+])c1 71495447 169044775 /nfs/dbraw/zinc/04/47/75/169044775.db2.gz AVLGVMPSYFYACN-UHFFFAOYSA-N 1 0 152.241 1.261 20 0 ADADRO Cn1ccc(C[N@@H+]2CC[C@](C)(F)C2)c1 334313748 169044883 /nfs/dbraw/zinc/04/48/83/169044883.db2.gz YMHGPSHIGWQMPB-NSHDSACASA-N 1 0 196.269 1.959 20 0 ADADRO Cn1ccc(C[N@@H+]2CC[C@H](F)C2)c1 335408208 169044972 /nfs/dbraw/zinc/04/49/72/169044972.db2.gz YBTPOOIRDXQAJX-JTQLQIEISA-N 1 0 182.242 1.569 20 0 ADADRO Cn1ccc(C[NH+]2CCCCCC2)n1 306281460 169045165 /nfs/dbraw/zinc/04/51/65/169045165.db2.gz IXSAARSECGSXMB-UHFFFAOYSA-N 1 0 193.294 1.796 20 0 ADADRO Cn1ccc(C[NH2+][C@@H]2CCCOC2)c1 76636098 169045202 /nfs/dbraw/zinc/04/52/02/169045202.db2.gz QSIZMAUHAHHYIV-LLVKDONJSA-N 1 0 194.278 1.294 20 0 ADADRO Cn1ccc(C[NH2+][C@@H]2CCC2(C)C)n1 306796042 169045423 /nfs/dbraw/zinc/04/54/23/169045423.db2.gz VPFVYXCLYOUXJJ-SNVBAGLBSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1ccc(C[NH2+]C2CC2)c1 71495393 169045571 /nfs/dbraw/zinc/04/55/71/169045571.db2.gz VUNCBSPYCMUTIT-UHFFFAOYSA-N 1 0 150.225 1.277 20 0 ADADRO Cn1ccc(C[N@@H+]2CCC[C@@H]2CF)c1 336576362 169045582 /nfs/dbraw/zinc/04/55/82/169045582.db2.gz VOJJIFHOUKZNET-LLVKDONJSA-N 1 0 196.269 1.959 20 0 ADADRO Cn1ccc(C[N@@H+]2CC[C@@H](F)C2)c1 335408210 169045596 /nfs/dbraw/zinc/04/55/96/169045596.db2.gz YBTPOOIRDXQAJX-SNVBAGLBSA-N 1 0 182.242 1.569 20 0 ADADRO Cn1ccc(C[NH2+][C@@H]2CCSC2)n1 97604881 169045732 /nfs/dbraw/zinc/04/57/32/169045732.db2.gz SYFZLTYUUINOSF-SECBINFHSA-N 1 0 197.307 1.015 20 0 ADADRO Cn1ccc(C[NH+]2CCSCC2)c1 306933477 169045743 /nfs/dbraw/zinc/04/57/43/169045743.db2.gz DGUQAGSDMPBOPS-UHFFFAOYSA-N 1 0 196.319 1.574 20 0 ADADRO Cn1ccc(C[NH2+]C2CCOCC2)c1 76636097 169045746 /nfs/dbraw/zinc/04/57/46/169045746.db2.gz IXZMTFJLCRYAJA-UHFFFAOYSA-N 1 0 194.278 1.294 20 0 ADADRO Cn1ccc(C[N@@H+]2CCC[C@H]2CF)c1 336576363 169045771 /nfs/dbraw/zinc/04/57/71/169045771.db2.gz VOJJIFHOUKZNET-NSHDSACASA-N 1 0 196.269 1.959 20 0 ADADRO Cn1ccc(C[N@@H+]2CC[C@@](C)(F)C2)c1 334313746 169045789 /nfs/dbraw/zinc/04/57/89/169045789.db2.gz YMHGPSHIGWQMPB-LLVKDONJSA-N 1 0 196.269 1.959 20 0 ADADRO Cn1ccc(C[NH2+][C@H]2CCCOC2)c1 76636099 169046019 /nfs/dbraw/zinc/04/60/19/169046019.db2.gz QSIZMAUHAHHYIV-NSHDSACASA-N 1 0 194.278 1.294 20 0 ADADRO Cn1ccc(C[NH2+][C@H]2CCSC2)n1 97604882 169046081 /nfs/dbraw/zinc/04/60/81/169046081.db2.gz SYFZLTYUUINOSF-VIFPVBQESA-N 1 0 197.307 1.015 20 0 ADADRO Cn1ccc(C[NH2+][C@H]2CCC2(C)C)n1 306796041 169046715 /nfs/dbraw/zinc/04/67/15/169046715.db2.gz VPFVYXCLYOUXJJ-JTQLQIEISA-N 1 0 193.294 1.698 20 0 ADADRO Cn1ccc2cc([C@@H](O)C[NH3+])ccc21 82321232 169047878 /nfs/dbraw/zinc/04/78/78/169047878.db2.gz GWEFEHQLUYAYBG-NSHDSACASA-N 1 0 190.246 1.170 20 0 ADADRO Cn1ccc2cc([C@H](O)C[NH3+])ccc21 82321230 169048197 /nfs/dbraw/zinc/04/81/97/169048197.db2.gz GWEFEHQLUYAYBG-LLVKDONJSA-N 1 0 190.246 1.170 20 0 ADADRO Cn1cccc1C[NH2+][C@@H]1CCSC1 230704757 169049175 /nfs/dbraw/zinc/04/91/75/169049175.db2.gz SGENATJBXQIWNJ-SECBINFHSA-N 1 0 196.319 1.620 20 0 ADADRO Cn1cccc1C[NH2+]C1CCC1 52206660 169049339 /nfs/dbraw/zinc/04/93/39/169049339.db2.gz MUDKJVFYSMKQGR-UHFFFAOYSA-N 1 0 164.252 1.667 20 0 ADADRO Cn1cccc1C[NH2+]CC1CCC1 50595162 169049356 /nfs/dbraw/zinc/04/93/56/169049356.db2.gz LHQLAQQPKQGYKE-UHFFFAOYSA-N 1 0 178.279 1.915 20 0 ADADRO Cn1cccc1[C@@H]1CCC[NH2+]C1 82404167 169049398 /nfs/dbraw/zinc/04/93/98/169049398.db2.gz OMOCWISOHOZMKW-SECBINFHSA-N 1 0 164.252 1.492 20 0 ADADRO Cn1cccc1[C@H]1CCC[N@@H+]1CCO 334639714 169049463 /nfs/dbraw/zinc/04/94/63/169049463.db2.gz ZHDIAHWMXSOORI-LLVKDONJSA-N 1 0 194.278 1.154 20 0 ADADRO Cn1cccc1C[NH2+]C[C@H]1CCOC1 50595897 169049633 /nfs/dbraw/zinc/04/96/33/169049633.db2.gz AKNRAOOIIQLACP-SNVBAGLBSA-N 1 0 194.278 1.151 20 0 ADADRO Cn1cccc1[C@H]1CCC[NH2+]C1 82404168 169049754 /nfs/dbraw/zinc/04/97/54/169049754.db2.gz OMOCWISOHOZMKW-VIFPVBQESA-N 1 0 164.252 1.492 20 0 ADADRO Cn1cccc1C[N@@H+]1CCC[C@@H]1CF 336317634 169049800 /nfs/dbraw/zinc/04/98/00/169049800.db2.gz QPGMXZXHRXUKQB-SNVBAGLBSA-N 1 0 196.269 1.959 20 0 ADADRO Cn1cccc1C[NH2+][C@H]1CCSC1 230704758 169049907 /nfs/dbraw/zinc/04/99/07/169049907.db2.gz SGENATJBXQIWNJ-VIFPVBQESA-N 1 0 196.319 1.620 20 0 ADADRO Cn1cccc1C[NH2+]CC1CC1 20520737 169049911 /nfs/dbraw/zinc/04/99/11/169049911.db2.gz YSFPNIOOQRKRLO-UHFFFAOYSA-N 1 0 164.252 1.525 20 0 ADADRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCO 334639715 169049934 /nfs/dbraw/zinc/04/99/34/169049934.db2.gz ZHDIAHWMXSOORI-NSHDSACASA-N 1 0 194.278 1.154 20 0 ADADRO Cn1cccc1C[NH+]1CCSCC1 306188817 169049967 /nfs/dbraw/zinc/04/99/67/169049967.db2.gz CCWLGAAXRHWIPG-UHFFFAOYSA-N 1 0 196.319 1.574 20 0 ADADRO Cn1cccc1C[N@@H+]1CCC[C@H]1CF 336317633 169049973 /nfs/dbraw/zinc/04/99/73/169049973.db2.gz QPGMXZXHRXUKQB-JTQLQIEISA-N 1 0 196.269 1.959 20 0 ADADRO Cn1cccc1C[NH2+][C@H]1CC1(C)C 50596321 169050091 /nfs/dbraw/zinc/05/00/91/169050091.db2.gz DKTXDWOMMFQXDO-JTQLQIEISA-N 1 0 178.279 1.913 20 0 ADADRO Cn1cccc1C[NH2+]C1CCOCC1 50595195 169050098 /nfs/dbraw/zinc/05/00/98/169050098.db2.gz FXYMYNYXHWMIKT-UHFFFAOYSA-N 1 0 194.278 1.294 20 0 ADADRO Cn1cccc1C[N@@H+]1CC[C@](C)(F)C1 335947623 169050504 /nfs/dbraw/zinc/05/05/04/169050504.db2.gz KOOPQGDYTQKISB-NSHDSACASA-N 1 0 196.269 1.959 20 0 ADADRO Cn1cccc1C[N@@H+]1CC[C@@](C)(F)C1 335947622 169050535 /nfs/dbraw/zinc/05/05/35/169050535.db2.gz KOOPQGDYTQKISB-LLVKDONJSA-N 1 0 196.269 1.959 20 0 ADADRO Cn1cccc1C[NH2+]C[C@@H]1CCOC1 50595896 169050550 /nfs/dbraw/zinc/05/05/50/169050550.db2.gz AKNRAOOIIQLACP-JTQLQIEISA-N 1 0 194.278 1.151 20 0 ADADRO Cn1ccnc1C[NH2+][C@@H]1CCC1(C)C 307260926 169050775 /nfs/dbraw/zinc/05/07/75/169050775.db2.gz UGMJRSUYEZXORM-SECBINFHSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1ccnc1C[NH2+][C@H]1CC[C@@H](F)C1 307148069 169050808 /nfs/dbraw/zinc/05/08/08/169050808.db2.gz PXPSHPSAMJVOQF-BDAKNGLRSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1ccnc1C[NH2+][C@@H]1CC[C@H](F)C1 307148070 169051169 /nfs/dbraw/zinc/05/11/69/169051169.db2.gz PXPSHPSAMJVOQF-DTWKUNHWSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1ccnc1C[NH2+]C1CC(C)(C)C1 307511889 169051450 /nfs/dbraw/zinc/05/14/50/169051450.db2.gz LWFJDVALMBNLNL-UHFFFAOYSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1ccnc1C[NH2+][C@H]1CCC1(C)C 307260927 169051878 /nfs/dbraw/zinc/05/18/78/169051878.db2.gz UGMJRSUYEZXORM-VIFPVBQESA-N 1 0 193.294 1.698 20 0 ADADRO Cn1ccnc1C[NH2+]C1CCC1 52208678 169052111 /nfs/dbraw/zinc/05/21/11/169052111.db2.gz KCLRYVHEQBFJIM-UHFFFAOYSA-N 1 0 165.240 1.062 20 0 ADADRO Cn1ccnc1C[NH2+][C@H]1CC[C@H](F)C1 307148071 169052152 /nfs/dbraw/zinc/05/21/52/169052152.db2.gz PXPSHPSAMJVOQF-IUCAKERBSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1ccnc1C[NH2+][C@H]1CC1(C)C 45119866 169052726 /nfs/dbraw/zinc/05/27/26/169052726.db2.gz QFHUVXDOSNDDAJ-QMMMGPOBSA-N 1 0 179.267 1.308 20 0 ADADRO Cn1ccnc1C[NH2+][C@@H]1CC[C@@H](F)C1 307148072 169052831 /nfs/dbraw/zinc/05/28/31/169052831.db2.gz PXPSHPSAMJVOQF-RKDXNWHRSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1ccnc1C[NH2+][C@@H]1CC1(C)C 45119867 169052991 /nfs/dbraw/zinc/05/29/91/169052991.db2.gz QFHUVXDOSNDDAJ-MRVPVSSYSA-N 1 0 179.267 1.308 20 0 ADADRO Cn1ccnc1SCCCC[NH3+] 35722645 169053775 /nfs/dbraw/zinc/05/37/75/169053775.db2.gz QIFKNINVTJOPSQ-UHFFFAOYSA-N 1 0 185.296 1.251 20 0 ADADRO Cn1ccnc1SC1CC[NH2+]CC1 20274763 169054101 /nfs/dbraw/zinc/05/41/01/169054101.db2.gz OYORSPGXGYLGIA-UHFFFAOYSA-N 1 0 197.307 1.264 20 0 ADADRO Cn1cnc2cc(C[NH3+])ccc21 39081491 169055505 /nfs/dbraw/zinc/05/55/05/169055505.db2.gz DWRIYGGJCVRRHI-UHFFFAOYSA-N 1 0 161.208 1.032 20 0 ADADRO Cn1cnc(C[NH2+]C2CCCCC2)n1 128239130 169056802 /nfs/dbraw/zinc/05/68/02/169056802.db2.gz YNXKTHHBGOVIMG-UHFFFAOYSA-N 1 0 194.282 1.237 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1CCSC1 230705193 169057062 /nfs/dbraw/zinc/05/70/62/169057062.db2.gz IXPKMLVCYUAHNC-MRVPVSSYSA-N 1 0 197.307 1.015 20 0 ADADRO Cn1cncc1C[N@@H+]1CCC(C)(C)C1 336555273 169057482 /nfs/dbraw/zinc/05/74/82/169057482.db2.gz XKSMYHYPWVWXPJ-UHFFFAOYSA-N 1 0 193.294 1.652 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1CC[C@H](F)C1 306524832 169057594 /nfs/dbraw/zinc/05/75/94/169057594.db2.gz OFKAZDMDJDFLMA-IUCAKERBSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1CCC[C@H]1F 306800735 169057654 /nfs/dbraw/zinc/05/76/54/169057654.db2.gz PDDATLLPMLLYPX-ZJUUUORDSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1CC=CCC1 80122507 169057657 /nfs/dbraw/zinc/05/76/57/169057657.db2.gz PEGNPICSAMMIOS-SNVBAGLBSA-N 1 0 191.278 1.618 20 0 ADADRO Cn1cncc1C[NH2+]C1CC(C)(C)C1 307495483 169057677 /nfs/dbraw/zinc/05/76/77/169057677.db2.gz RLFREILPKZCEGK-UHFFFAOYSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1cncc1CC[N@@H+]1CC[C@H](F)C1 334646778 169057768 /nfs/dbraw/zinc/05/77/68/169057768.db2.gz NFJLHMCABHMPFC-VIFPVBQESA-N 1 0 197.257 1.006 20 0 ADADRO Cn1cncc1CC[N@@H+]1CC[C@@H](F)C1 334646776 169057815 /nfs/dbraw/zinc/05/78/15/169057815.db2.gz NFJLHMCABHMPFC-SECBINFHSA-N 1 0 197.257 1.006 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1CCC1(C)C 306652023 169057842 /nfs/dbraw/zinc/05/78/42/169057842.db2.gz CHSVXOQSJWQBNF-JTQLQIEISA-N 1 0 193.294 1.698 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1CC[C@H](F)C1 306524831 169058029 /nfs/dbraw/zinc/05/80/29/169058029.db2.gz OFKAZDMDJDFLMA-DTWKUNHWSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]1F 306289941 169058108 /nfs/dbraw/zinc/05/81/08/169058108.db2.gz PDDATLLPMLLYPX-VHSXEESVSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1C=CCCC1 307230670 169058139 /nfs/dbraw/zinc/05/81/39/169058139.db2.gz AOSJNZZRZMPCDL-JTQLQIEISA-N 1 0 191.278 1.618 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1CC=CCC1 80122502 169058183 /nfs/dbraw/zinc/05/81/83/169058183.db2.gz PEGNPICSAMMIOS-JTQLQIEISA-N 1 0 191.278 1.618 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1CCSC1 230705197 169058245 /nfs/dbraw/zinc/05/82/45/169058245.db2.gz IXPKMLVCYUAHNC-QMMMGPOBSA-N 1 0 197.307 1.015 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1C=CCCC1 307230671 169058283 /nfs/dbraw/zinc/05/82/83/169058283.db2.gz AOSJNZZRZMPCDL-SNVBAGLBSA-N 1 0 191.278 1.618 20 0 ADADRO Cn1cncc1C[NH2+][C@H]1CC[C@@H](F)C1 306524830 169058392 /nfs/dbraw/zinc/05/83/92/169058392.db2.gz OFKAZDMDJDFLMA-BDAKNGLRSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1CCC1(C)C 306652025 169058475 /nfs/dbraw/zinc/05/84/75/169058475.db2.gz CHSVXOQSJWQBNF-SNVBAGLBSA-N 1 0 193.294 1.698 20 0 ADADRO Cn1cncc1C[NH2+][C@@H]1CC[C@@H](F)C1 306524833 169058580 /nfs/dbraw/zinc/05/85/80/169058580.db2.gz OFKAZDMDJDFLMA-RKDXNWHRSA-N 1 0 197.257 1.400 20 0 ADADRO Cn1cnnc1C[NH2+]C1CCCCC1 37989137 169059205 /nfs/dbraw/zinc/05/92/05/169059205.db2.gz QMRPRTAGLGHLTM-UHFFFAOYSA-N 1 0 194.282 1.237 20 0 ADADRO Cn1cnnc1C[NH2+]CCC(C)(C)C 50417411 169059344 /nfs/dbraw/zinc/05/93/44/169059344.db2.gz AHSUEROLCUHJQY-UHFFFAOYSA-N 1 0 196.298 1.341 20 0 ADADRO Cn1cnnc1C[NH2+]C1CC(C)(C)C1 307588509 169059890 /nfs/dbraw/zinc/05/98/90/169059890.db2.gz XIKDAMSZRHKRSF-UHFFFAOYSA-N 1 0 194.282 1.093 20 0 ADADRO Cn1cnnc1C[NH2+][C@@H]1CCC1(C)C 306185447 169060239 /nfs/dbraw/zinc/06/02/39/169060239.db2.gz AGXXSKRQOOVKRC-MRVPVSSYSA-N 1 0 194.282 1.093 20 0 ADADRO Cn1cnnc1C[NH2+][C@H]1CCC1(C)C 306185448 169060335 /nfs/dbraw/zinc/06/03/35/169060335.db2.gz AGXXSKRQOOVKRC-QMMMGPOBSA-N 1 0 194.282 1.093 20 0 ADADRO Cn1ncc2c1CCC[C@H]2[NH2+]CCF 306675730 169064931 /nfs/dbraw/zinc/06/49/31/169064931.db2.gz UEIVXJSQPXJJPQ-SECBINFHSA-N 1 0 197.257 1.357 20 0 ADADRO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC1 37051406 169064988 /nfs/dbraw/zinc/06/49/88/169064988.db2.gz LCGZKDCHDDRYFJ-JTQLQIEISA-N 1 0 191.278 1.550 20 0 ADADRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCF 306675731 169065561 /nfs/dbraw/zinc/06/55/61/169065561.db2.gz UEIVXJSQPXJJPQ-VIFPVBQESA-N 1 0 197.257 1.357 20 0 ADADRO Cn1ncc(Cl)c1C[NH2+]C1CC1 124130876 169065790 /nfs/dbraw/zinc/06/57/90/169065790.db2.gz WXMOTJBLDHQRBE-UHFFFAOYSA-N 1 0 185.658 1.326 20 0 ADADRO Cn1ncc(Cl)c1C[NH2+]C1CCC1 306361082 169065824 /nfs/dbraw/zinc/06/58/24/169065824.db2.gz ODDMZPZNCVMWLF-UHFFFAOYSA-N 1 0 199.685 1.716 20 0 ADADRO Cn1ncc2c1CCC[C@H]2[NH2+]C1CC1 37051405 169066152 /nfs/dbraw/zinc/06/61/52/169066152.db2.gz LCGZKDCHDDRYFJ-SNVBAGLBSA-N 1 0 191.278 1.550 20 0 ADADRO Cn1nncc1C[NH2+]C1CC(C)(C)C1 306633796 169069619 /nfs/dbraw/zinc/06/96/19/169069619.db2.gz SOKRWVUTSUCPNG-UHFFFAOYSA-N 1 0 194.282 1.093 20 0 ADADRO Cn1nncc1C[NH2+][C@H]1CCC1(C)C 306391488 169069707 /nfs/dbraw/zinc/06/97/07/169069707.db2.gz CRYGAINTQHLKSP-VIFPVBQESA-N 1 0 194.282 1.093 20 0 ADADRO Cn1nncc1C[NH2+]C1CCCCC1 122068436 169069722 /nfs/dbraw/zinc/06/97/22/169069722.db2.gz AGQGBZYCCDQHST-UHFFFAOYSA-N 1 0 194.282 1.237 20 0 ADADRO Cn1nncc1C[NH+]1CCCCCC1 334832096 169069834 /nfs/dbraw/zinc/06/98/34/169069834.db2.gz XNSUNGWTIPPLKB-UHFFFAOYSA-N 1 0 194.282 1.191 20 0 ADADRO Cn1nncc1C[N@@H+]1CCC(C)(C)C1 334325908 169069917 /nfs/dbraw/zinc/06/99/17/169069917.db2.gz BHASAYRIQXZKMN-UHFFFAOYSA-N 1 0 194.282 1.047 20 0 ADADRO Cn1nncc1C[NH2+][C@@H]1CCC1(C)C 306391478 169070450 /nfs/dbraw/zinc/07/04/50/169070450.db2.gz CRYGAINTQHLKSP-SECBINFHSA-N 1 0 194.282 1.093 20 0 ADADRO FC(F)(F)OC[C@@H]1CC[NH2+]C1 98210013 169070771 /nfs/dbraw/zinc/07/07/71/169070771.db2.gz WYXLXKKVNJREDP-RXMQYKEDSA-N 1 0 169.146 1.132 20 0 ADADRO FC(F)(F)OC[C@H]1CC[NH2+]C1 98210014 169070908 /nfs/dbraw/zinc/07/09/08/169070908.db2.gz WYXLXKKVNJREDP-YFKPBYRVSA-N 1 0 169.146 1.132 20 0 ADADRO FC(F)(F)CC[NH+]1CCSCC1 306491096 169071072 /nfs/dbraw/zinc/07/10/72/169071072.db2.gz KQQQZDHDRXPPHF-UHFFFAOYSA-N 1 0 199.241 1.988 20 0 ADADRO FC(F)(F)COCC[NH2+]CC1CC1 49310783 169071123 /nfs/dbraw/zinc/07/11/23/169071123.db2.gz VTTYOACVTSNYLR-UHFFFAOYSA-N 1 0 197.200 1.565 20 0 ADADRO FC(F)(F)C1C[NH+](CC2CC2)C1 307465756 169071370 /nfs/dbraw/zinc/07/13/70/169071370.db2.gz AKDGZHLEMUHYAD-UHFFFAOYSA-N 1 0 179.185 1.891 20 0 ADADRO FC(F)(F)CC[NH2+]C1CCOCC1 63099409 169071428 /nfs/dbraw/zinc/07/14/28/169071428.db2.gz TWGJJIUECVVHLD-UHFFFAOYSA-N 1 0 197.200 1.707 20 0 ADADRO FC(F)(F)CC[NH2+][C@@H]1CCOC1 70969612 169071501 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328579727 169074249 /nfs/dbraw/zinc/07/42/49/169074249.db2.gz YNNWBABTZMVEFL-RXMQYKEDSA-N 1 0 147.168 1.251 20 0 ADADRO FC(F)CO[C@H]1CCC[NH2+]C1 51787135 169074532 /nfs/dbraw/zinc/07/45/32/169074532.db2.gz DIWGFUWJBXFWGX-LURJTMIESA-N 1 0 165.183 1.020 20 0 ADADRO FC(F)CO[C@@H]1CCC[NH2+]C1 51787136 169074730 /nfs/dbraw/zinc/07/47/30/169074730.db2.gz DIWGFUWJBXFWGX-ZCFIWIBFSA-N 1 0 165.183 1.020 20 0 ADADRO FC(F)C[NH2+]CC1CC1 37895147 169074974 /nfs/dbraw/zinc/07/49/74/169074974.db2.gz FJBMSXSYHFZMCC-UHFFFAOYSA-N 1 0 135.157 1.251 20 0 in-vitro ADADRO FC1(F)CC([NH2+]Cc2cc[nH]c2)C1 306719941 169075588 /nfs/dbraw/zinc/07/55/88/169075588.db2.gz YVBUKOOGIDJGSX-UHFFFAOYSA-N 1 0 186.205 1.902 20 0 ADADRO FC1(F)CC([NH2+][C@@H]2CCOC2)C1 307607676 169075908 /nfs/dbraw/zinc/07/59/08/169075908.db2.gz CFBARABNRKKTBQ-ZCFIWIBFSA-N 1 0 177.194 1.163 20 0 ADADRO FC1=CCC[N@H+](CC[C@H]2CCOC2)C1 336342986 169075950 /nfs/dbraw/zinc/07/59/50/169075950.db2.gz RUTAETJWOMBNNC-JTQLQIEISA-N 1 0 199.269 1.972 20 0 ADADRO FC1(F)CC([NH2+][C@H]2CCCOC2)C1 307198481 169075970 /nfs/dbraw/zinc/07/59/70/169075970.db2.gz XWZRNDJYFJPNND-ZETCQYMHSA-N 1 0 191.221 1.553 20 0 ADADRO FC1(F)CC(C[NH2+][C@@H]2CCOC2)C1 306272858 169076047 /nfs/dbraw/zinc/07/60/47/169076047.db2.gz YICBGLRPEQZTLC-MRVPVSSYSA-N 1 0 191.221 1.410 20 0 ADADRO FC1=CCC[N@H+](C[C@@H]2CCCOC2)C1 336521055 169076119 /nfs/dbraw/zinc/07/61/19/169076119.db2.gz WNXDEPUFMFCECP-JTQLQIEISA-N 1 0 199.269 1.972 20 0 ADADRO FC1(F)CC([NH2+][C@@H]2CCCOC2)C1 307198480 169076176 /nfs/dbraw/zinc/07/61/76/169076176.db2.gz XWZRNDJYFJPNND-SSDOTTSWSA-N 1 0 191.221 1.553 20 0 ADADRO FC1(F)CC([NH2+][C@@H]2CCSC2)C1 307011902 169076335 /nfs/dbraw/zinc/07/63/35/169076335.db2.gz KIHJZGZARHKQDX-ZCFIWIBFSA-N 1 0 193.262 1.879 20 0 ADADRO FC1(F)CC(C[NH2+][C@H]2CCOC2)C1 306272859 169076543 /nfs/dbraw/zinc/07/65/43/169076543.db2.gz YICBGLRPEQZTLC-QMMMGPOBSA-N 1 0 191.221 1.410 20 0 ADADRO FC1(F)CC([NH2+]Cc2cccnc2)C1 306239704 169076685 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FC1=CCC[N@H+](C[C@H]2CCCOC2)C1 336521056 169077051 /nfs/dbraw/zinc/07/70/51/169077051.db2.gz WNXDEPUFMFCECP-SNVBAGLBSA-N 1 0 199.269 1.972 20 0 ADADRO FC1=CCC[N@H+](CC[C@@H]2CCOC2)C1 336342987 169077123 /nfs/dbraw/zinc/07/71/23/169077123.db2.gz RUTAETJWOMBNNC-SNVBAGLBSA-N 1 0 199.269 1.972 20 0 ADADRO FC1(c2cncnc2)CC[NH2+]CC1 107128132 169077161 /nfs/dbraw/zinc/07/71/61/169077161.db2.gz PRMJQAWUUQVORU-UHFFFAOYSA-N 1 0 181.214 1.025 20 0 ADADRO FCC1([NH2+][C@H]2CCSC2)CCC1 335450009 169077436 /nfs/dbraw/zinc/07/74/36/169077436.db2.gz RQIDJVRYHNQZGV-QMMMGPOBSA-N 1 0 189.299 1.974 20 0 ADADRO FCCC[N@@H+]1CC[C@@H](F)C1 334813817 169077456 /nfs/dbraw/zinc/07/74/56/169077456.db2.gz UUEPULGZPHDWRJ-SSDOTTSWSA-N 1 0 149.184 1.390 20 0 ADADRO FCCC[N@@H+]1CCOCC12CC2 306176219 169077482 /nfs/dbraw/zinc/07/74/82/169077482.db2.gz JNCGTQWBIDAINT-UHFFFAOYSA-N 1 0 173.231 1.211 20 0 ADADRO FCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 306170848 169077619 /nfs/dbraw/zinc/07/76/19/169077619.db2.gz KYEQYMKEBFOKRM-VHSXEESVSA-N 1 0 187.258 1.599 20 0 ADADRO FCC1CC[NH+](Cc2ccno2)CC1 336276547 169077770 /nfs/dbraw/zinc/07/77/70/169077770.db2.gz SXQBLUHZGFWKJH-UHFFFAOYSA-N 1 0 198.241 1.856 20 0 ADADRO FCC[NH2+][C@@H]1CCCOCC1 306286098 169077782 /nfs/dbraw/zinc/07/77/82/169077782.db2.gz DAPLSFLFKNCCMJ-MRVPVSSYSA-N 1 0 161.220 1.115 20 0 ADADRO FCC1([NH2+]C2CCOCC2)CCC1 335450453 169077836 /nfs/dbraw/zinc/07/78/36/169077836.db2.gz YVHPEOVMGUXXQH-UHFFFAOYSA-N 1 0 187.258 1.647 20 0 ADADRO FCC[NH2+][C@H]1CCC12CCC2 306202913 169077919 /nfs/dbraw/zinc/07/79/19/169077919.db2.gz QLQVRTFHJRFWSB-QMMMGPOBSA-N 1 0 157.232 1.878 20 0 ADADRO FC[C@@H]1CCC[N@@H+]1CC1CC1 307546214 169077974 /nfs/dbraw/zinc/07/79/74/169077974.db2.gz LQYXEAXTDXCCRU-VIFPVBQESA-N 1 0 157.232 1.830 20 0 ADADRO FCCC[N@@H+]1CCO[C@H]2CCC[C@H]21 306170851 169078007 /nfs/dbraw/zinc/07/80/07/169078007.db2.gz KYEQYMKEBFOKRM-ZJUUUORDSA-N 1 0 187.258 1.599 20 0 ADADRO FCC1CC[NH+]([C@@H]2CCOC2)CC1 336259638 169078020 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ADADRO FCCC[N@@H+]1CCOC2(CCC2)C1 307744332 169079140 /nfs/dbraw/zinc/07/91/40/169079140.db2.gz OKCDXHDQCKABTM-UHFFFAOYSA-N 1 0 187.258 1.601 20 0 ADADRO FCCC[N@@H+]1CCc2n[nH]cc2C1 306348854 169079317 /nfs/dbraw/zinc/07/93/17/169079317.db2.gz ULQBROQABFHSIS-UHFFFAOYSA-N 1 0 183.230 1.127 20 0 ADADRO FC[C@@H]1C[N@H+](CC2CC2)CCCO1 334648194 169079360 /nfs/dbraw/zinc/07/93/60/169079360.db2.gz RKXUYWDGNIQLFA-SNVBAGLBSA-N 1 0 187.258 1.457 20 0 ADADRO FCCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 335423825 169079374 /nfs/dbraw/zinc/07/93/74/169079374.db2.gz NXVMDWLQTBFYHO-ZJUUUORDSA-N 1 0 187.258 1.457 20 0 ADADRO FCCC[N@@H+]1CC[C@H](F)C1 334813821 169079392 /nfs/dbraw/zinc/07/93/92/169079392.db2.gz UUEPULGZPHDWRJ-ZETCQYMHSA-N 1 0 149.184 1.390 20 0 ADADRO FC[C@H]1C[N@H+](CC2CC2)CCCO1 334648192 169079732 /nfs/dbraw/zinc/07/97/32/169079732.db2.gz RKXUYWDGNIQLFA-JTQLQIEISA-N 1 0 187.258 1.457 20 0 ADADRO FC[C@H]1C[N@H+](CC2CC2)CCO1 336279832 169079752 /nfs/dbraw/zinc/07/97/52/169079752.db2.gz DETYUCWEXADMHL-VIFPVBQESA-N 1 0 173.231 1.067 20 0 ADADRO F[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 335406184 169080199 /nfs/dbraw/zinc/08/01/99/169080199.db2.gz LMDUYKQODIBAKF-ZJUUUORDSA-N 1 0 187.258 1.457 20 0 ADADRO F[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 335406182 169080208 /nfs/dbraw/zinc/08/02/08/169080208.db2.gz LMDUYKQODIBAKF-UWVGGRQHSA-N 1 0 187.258 1.457 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)C1 306233634 169080216 /nfs/dbraw/zinc/08/02/16/169080216.db2.gz CRJPEQWTTAXORV-YUMQZZPRSA-N 1 0 183.230 1.390 20 0 ADADRO F[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 335406122 169080250 /nfs/dbraw/zinc/08/02/50/169080250.db2.gz IGHAIHDUSJLEJJ-BDAKNGLRSA-N 1 0 189.299 1.783 20 0 ADADRO F[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 336263111 169080288 /nfs/dbraw/zinc/08/02/88/169080288.db2.gz RUGJKQPSUOSWCU-UWVGGRQHSA-N 1 0 187.258 1.599 20 0 ADADRO F[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 334817758 169080365 /nfs/dbraw/zinc/08/03/65/169080365.db2.gz IRODIKNZPSUCPV-UWVGGRQHSA-N 1 0 187.258 1.599 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]CC2=CCCOC2)C1 306794400 169080380 /nfs/dbraw/zinc/08/03/80/169080380.db2.gz HSTMYBSPAQDNGY-QWRGUYRKSA-N 1 0 199.269 1.813 20 0 ADADRO F[C@H]1CC[N@H+](CCc2ccccn2)C1 336259806 169080414 /nfs/dbraw/zinc/08/04/14/169080414.db2.gz URFWDCYXFFMHNX-JTQLQIEISA-N 1 0 194.253 1.668 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1 307386942 169080457 /nfs/dbraw/zinc/08/04/57/169080457.db2.gz BZRMEVYPMFVXMD-JGVFFNPUSA-N 1 0 183.230 1.390 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)C1 306233632 169080499 /nfs/dbraw/zinc/08/04/99/169080499.db2.gz CRJPEQWTTAXORV-JGVFFNPUSA-N 1 0 183.230 1.390 20 0 ADADRO F[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 335406706 169080532 /nfs/dbraw/zinc/08/05/32/169080532.db2.gz MLBSIJXUMZEESM-ZJUUUORDSA-N 1 0 187.258 1.457 20 0 ADADRO F[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 335406124 169080540 /nfs/dbraw/zinc/08/05/40/169080540.db2.gz IGHAIHDUSJLEJJ-IUCAKERBSA-N 1 0 189.299 1.783 20 0 ADADRO F[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 336263112 169080547 /nfs/dbraw/zinc/08/05/47/169080547.db2.gz RUGJKQPSUOSWCU-VHSXEESVSA-N 1 0 187.258 1.599 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]CC2=CCCOC2)C1 306794401 169080571 /nfs/dbraw/zinc/08/05/71/169080571.db2.gz HSTMYBSPAQDNGY-WDEREUQCSA-N 1 0 199.269 1.813 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 306453348 169080627 /nfs/dbraw/zinc/08/06/27/169080627.db2.gz YCQUMAULLJEASO-DTWKUNHWSA-N 1 0 157.232 1.877 20 0 ADADRO F[C@H]1CC[N@H+](CCc2cccnc2)C1 334627609 169080648 /nfs/dbraw/zinc/08/06/48/169080648.db2.gz LVINOFVYPCDFJX-NSHDSACASA-N 1 0 194.253 1.668 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 306181442 169080671 /nfs/dbraw/zinc/08/06/71/169080671.db2.gz UUMUTIKAZYOMJW-UWVGGRQHSA-N 1 0 182.242 1.995 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]Cc2cncnc2)C1 307353594 169080676 /nfs/dbraw/zinc/08/06/76/169080676.db2.gz RTXCXNQPGRCHBZ-UWVGGRQHSA-N 1 0 195.241 1.457 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]C2CCOCC2)C1 306159100 169080685 /nfs/dbraw/zinc/08/06/85/169080685.db2.gz FCHOSMPIEHGVMU-WPRPVWTQSA-N 1 0 187.258 1.646 20 0 ADADRO F[C@H]1CC[N@H+](CCc2ccncc2)C1 336259950 169080713 /nfs/dbraw/zinc/08/07/13/169080713.db2.gz WXUNSUJHCAZUFT-NSHDSACASA-N 1 0 194.253 1.668 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]CC2CC2)C1 306453349 169080722 /nfs/dbraw/zinc/08/07/22/169080722.db2.gz YCQUMAULLJEASO-IUCAKERBSA-N 1 0 157.232 1.877 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 306159094 169080742 /nfs/dbraw/zinc/08/07/42/169080742.db2.gz FCHOSMPIEHGVMU-WCBMZHEXSA-N 1 0 187.258 1.646 20 0 ADADRO F[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 336259728 169080751 /nfs/dbraw/zinc/08/07/51/169080751.db2.gz PMCASUFYMOSIDT-IUCAKERBSA-N 1 0 173.231 1.209 20 0 ADADRO F[C@H]1CC[N@H+](CCC2CC2)C1 334702318 169080790 /nfs/dbraw/zinc/08/07/90/169080790.db2.gz QHJRIXSGQHUPTR-VIFPVBQESA-N 1 0 157.232 1.830 20 0 ADADRO F[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 334817759 169080797 /nfs/dbraw/zinc/08/07/97/169080797.db2.gz IRODIKNZPSUCPV-VHSXEESVSA-N 1 0 187.258 1.599 20 0 ADADRO F[C@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 307386944 169080838 /nfs/dbraw/zinc/08/08/38/169080838.db2.gz BZRMEVYPMFVXMD-YUMQZZPRSA-N 1 0 183.230 1.390 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]Cc2cncnc2)C1 307353595 169080868 /nfs/dbraw/zinc/08/08/68/169080868.db2.gz RTXCXNQPGRCHBZ-VHSXEESVSA-N 1 0 195.241 1.457 20 0 ADADRO F[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 335406704 169080888 /nfs/dbraw/zinc/08/08/88/169080888.db2.gz MLBSIJXUMZEESM-UWVGGRQHSA-N 1 0 187.258 1.457 20 0 ADADRO F[C@H]1CC[C@@H]([NH2+]Cc2cc[nH]c2)C1 306181443 169080898 /nfs/dbraw/zinc/08/08/98/169080898.db2.gz UUMUTIKAZYOMJW-VHSXEESVSA-N 1 0 182.242 1.995 20 0 ADADRO F[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 335467458 169080902 /nfs/dbraw/zinc/08/09/02/169080902.db2.gz PMCASUFYMOSIDT-DTWKUNHWSA-N 1 0 173.231 1.209 20 0 ADADRO Fc1ccc(C[NH2+][C@@H]2CCOC2)cc1 70963978 169082467 /nfs/dbraw/zinc/08/24/67/169082467.db2.gz RTIYYFJJTVXPMC-LLVKDONJSA-N 1 0 195.237 1.704 20 0 ADADRO Fc1ccc(OCC2C[NH2+]C2)c(F)c1 38580869 169082596 /nfs/dbraw/zinc/08/25/96/169082596.db2.gz ZBOICYXIVLYALQ-UHFFFAOYSA-N 1 0 199.200 1.563 20 0 ADADRO Fc1ccc(C[C@H]2C[NH2+]CCO2)cc1 71507036 169082610 /nfs/dbraw/zinc/08/26/10/169082610.db2.gz KDCBKWVMFCKDAK-NSHDSACASA-N 1 0 195.237 1.357 20 0 ADADRO Fc1ccc(C[NH2+][C@H]2CCOC2)nc1 307289163 169083117 /nfs/dbraw/zinc/08/31/17/169083117.db2.gz YCXNOBASEVPWQT-JTQLQIEISA-N 1 0 196.225 1.099 20 0 ADADRO Fc1ccc(C[C@@H]2C[NH2+]CCO2)cc1 71507035 169083174 /nfs/dbraw/zinc/08/31/74/169083174.db2.gz KDCBKWVMFCKDAK-LLVKDONJSA-N 1 0 195.237 1.357 20 0 ADADRO Fc1ccc(OCC2C[NH2+]C2)cc1 38580828 169083422 /nfs/dbraw/zinc/08/34/22/169083422.db2.gz DWLGCDSTWAFTEV-UHFFFAOYSA-N 1 0 181.210 1.424 20 0 ADADRO Fc1ccc(C[NH2+][C@H]2CCOC2)cc1 70963983 169083570 /nfs/dbraw/zinc/08/35/70/169083570.db2.gz RTIYYFJJTVXPMC-NSHDSACASA-N 1 0 195.237 1.704 20 0 ADADRO Fc1ccc(OC2CC[NH2+]CC2)cn1 96300699 169083581 /nfs/dbraw/zinc/08/35/81/169083581.db2.gz XHLOWOHRZNUOAF-UHFFFAOYSA-N 1 0 196.225 1.352 20 0 ADADRO Fc1ccc(C[NH2+][C@@H]2CCOC2)nc1 307289164 169083658 /nfs/dbraw/zinc/08/36/58/169083658.db2.gz YCXNOBASEVPWQT-SNVBAGLBSA-N 1 0 196.225 1.099 20 0 ADADRO Fc1ccc(C[C@H]2COCC[NH2+]2)cc1 71507006 169083775 /nfs/dbraw/zinc/08/37/75/169083775.db2.gz UIZCYZPPCHSWPW-NSHDSACASA-N 1 0 195.237 1.357 20 0 ADADRO Fc1ccc(C[C@@H]2COCC[NH2+]2)cc1 71507005 169083806 /nfs/dbraw/zinc/08/38/06/169083806.db2.gz UIZCYZPPCHSWPW-LLVKDONJSA-N 1 0 195.237 1.357 20 0 ADADRO Fc1ccc([C@@H]2CC[NH2+]C2)nc1 74337990 169083957 /nfs/dbraw/zinc/08/39/57/169083957.db2.gz AKEHUTABDJVOMC-SSDOTTSWSA-N 1 0 166.199 1.298 20 0 ADADRO Fc1ccc([C@H]2CC[NH2+]C2)nc1 74337994 169084803 /nfs/dbraw/zinc/08/48/03/169084803.db2.gz AKEHUTABDJVOMC-ZETCQYMHSA-N 1 0 166.199 1.298 20 0 ADADRO Fc1ccc2c[nH+]cn2c1 18555954 169084823 /nfs/dbraw/zinc/08/48/23/169084823.db2.gz AMSZJCHBWQVBPL-UHFFFAOYSA-N 1 0 136.129 1.473 20 0 ADADRO Fc1ccc2c(c1)CC[NH2+]CC2 39088236 169084931 /nfs/dbraw/zinc/08/49/31/169084931.db2.gz SHDMCTOVONAMKO-UHFFFAOYSA-N 1 0 165.211 1.514 20 0 in-vitro ADADRO Fc1cccc(C[NH2+][C@@H]2CCOC2)c1 70965213 169085412 /nfs/dbraw/zinc/08/54/12/169085412.db2.gz PXVKRJHKALQSJV-LLVKDONJSA-N 1 0 195.237 1.704 20 0 ADADRO Fc1cccc(OCC2C[NH2+]C2)c1 118585917 169086002 /nfs/dbraw/zinc/08/60/02/169086002.db2.gz JEVQEWHKWNKRQZ-UHFFFAOYSA-N 1 0 181.210 1.424 20 0 ADADRO Fc1cccc(C[NH2+][C@H]2CCOC2)c1 70965218 169086731 /nfs/dbraw/zinc/08/67/31/169086731.db2.gz PXVKRJHKALQSJV-NSHDSACASA-N 1 0 195.237 1.704 20 0 ADADRO Fc1cccc([C@]2(F)CC[NH2+]C2)c1 107129195 169087399 /nfs/dbraw/zinc/08/73/99/169087399.db2.gz XAYFTPHWAKGSCJ-JTQLQIEISA-N 1 0 183.201 1.984 20 0 ADADRO Fc1cccc([C@@]2(F)CC[NH2+]C2)c1 107129197 169087556 /nfs/dbraw/zinc/08/75/56/169087556.db2.gz XAYFTPHWAKGSCJ-SNVBAGLBSA-N 1 0 183.201 1.984 20 0 ADADRO Fc1ccccc1C[NH2+][C@H]1CCOC1 70964019 169087718 /nfs/dbraw/zinc/08/77/18/169087718.db2.gz ZVQDKMDFLFHRMF-JTQLQIEISA-N 1 0 195.237 1.704 20 0 ADADRO Fc1ccccc1C[NH2+][C@@H]1CCOC1 70964015 169088001 /nfs/dbraw/zinc/08/80/01/169088001.db2.gz ZVQDKMDFLFHRMF-SNVBAGLBSA-N 1 0 195.237 1.704 20 0 ADADRO Fc1ccccc1OCC1C[NH2+]C1 38580765 169088155 /nfs/dbraw/zinc/08/81/55/169088155.db2.gz MFYBAZBLPZJNPP-UHFFFAOYSA-N 1 0 181.210 1.424 20 0 ADADRO Fc1cccnc1[C@H]1CCC[NH2+]1 32914753 169089026 /nfs/dbraw/zinc/08/90/26/169089026.db2.gz AICJMGXBUYILIY-MRVPVSSYSA-N 1 0 166.199 1.645 20 0 ADADRO Fc1cncc(C[NH+]2CCCC2)c1 306339201 169089136 /nfs/dbraw/zinc/08/91/36/169089136.db2.gz YQYOXVUSXRILRD-UHFFFAOYSA-N 1 0 180.226 1.817 20 0 ADADRO Fc1cccnc1[C@@H]1CCC[NH2+]1 32914751 169089440 /nfs/dbraw/zinc/08/94/40/169089440.db2.gz AICJMGXBUYILIY-QMMMGPOBSA-N 1 0 166.199 1.645 20 0 ADADRO Fc1cccnc1C1CC[NH2+]CC1 75869480 169089931 /nfs/dbraw/zinc/08/99/31/169089931.db2.gz DLPZRBXJTPJPHJ-UHFFFAOYSA-N 1 0 180.226 1.688 20 0 ADADRO Fc1ncccc1C1=CC[NH2+]CC1 95629122 169090212 /nfs/dbraw/zinc/09/02/12/169090212.db2.gz OWMBBNPDBRCYHU-UHFFFAOYSA-N 1 0 178.210 1.597 20 0 ADADRO Cc1n[nH]cc1C[NH2+]C[C@@H](C)C1CC1 136208977 343977698 /nfs/dbraw/zinc/97/76/98/343977698.db2.gz VZBXCHWPAOJABJ-MRVPVSSYSA-N 1 0 193.294 1.854 20 0 ADADRO [NH3+]C[C@H]1CCC[C@H]1CF 82163046 169216654 /nfs/dbraw/zinc/21/66/54/169216654.db2.gz NOCZPWVHRBBKJW-NKWVEPMBSA-N 1 0 131.194 1.331 20 0 ADADRO Nc1ccc(C(=[NH2+])Cl)cc1 88611762 169136906 /nfs/dbraw/zinc/13/69/06/169136906.db2.gz UNOHQMWZAASOMK-UHFFFAOYSA-N 1 0 154.600 1.833 20 0 in-vitro ADADRO NC(=[NH2+])N1CC[C@H]2CCCC[C@H]21 211174919 169137251 /nfs/dbraw/zinc/13/72/51/169137251.db2.gz FZTAWHSKHRDTDB-HTQZYQBOSA-N 1 0 167.256 1.144 20 0 ADADRO NC(=[NH2+])NCC1(C2CC2)CCC1 307515478 169137303 /nfs/dbraw/zinc/13/73/03/169137303.db2.gz MURIRFPWKOBAER-UHFFFAOYSA-N 1 0 167.256 1.050 20 0 ADADRO NC(=[NH2+])NC[C@@H]1CCc2ccccc21 334475650 169137318 /nfs/dbraw/zinc/13/73/18/169137318.db2.gz OAZZARQGORTBOS-VIFPVBQESA-N 1 0 189.262 1.199 20 0 ADADRO NC(=[NH2+])NCCc1ccccc1Cl 13759262 169137337 /nfs/dbraw/zinc/13/73/37/169137337.db2.gz AXKDMCQUCRBQFP-UHFFFAOYSA-N 1 0 197.669 1.366 20 0 ADADRO NC(=[NH2+])NC[C@H]1CCC[C@@H]1C1CC1 335252817 169137360 /nfs/dbraw/zinc/13/73/60/169137360.db2.gz PKMYEQPWSKDOGW-RKDXNWHRSA-N 1 0 181.283 1.296 20 0 ADADRO NC(=[NH2+])NCc1ccc(C2CC2)cc1 335754935 169137368 /nfs/dbraw/zinc/13/73/68/169137368.db2.gz UJDQXDIZKPNCOV-UHFFFAOYSA-N 1 0 189.262 1.547 20 0 ADADRO NC(=[NH2+])NCc1cccc(Cl)c1 2002802 169137463 /nfs/dbraw/zinc/13/74/63/169137463.db2.gz CUZPMXGXQZNUDE-UHFFFAOYSA-N 1 0 183.642 1.323 20 0 ADADRO NC(=[NH2+])NCC1(C2CCC2)CCC1 334863878 169137532 /nfs/dbraw/zinc/13/75/32/169137532.db2.gz WQLLPJFZLUJWJT-UHFFFAOYSA-N 1 0 181.283 1.440 20 0 ADADRO NC(=[NH2+])NCC1CCCCCC1 307434730 169137651 /nfs/dbraw/zinc/13/76/51/169137651.db2.gz MQEUWQCYBCGBGN-UHFFFAOYSA-N 1 0 169.272 1.440 20 0 ADADRO NC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 169323214 169137738 /nfs/dbraw/zinc/13/77/38/169137738.db2.gz RLGKNRJRZLZGKX-UWVGGRQHSA-N 1 0 189.262 1.273 20 0 ADADRO NC(=[NH2+])NCCC1=CCCCCC1 335881520 169137787 /nfs/dbraw/zinc/13/77/87/169137787.db2.gz PFUTWROBICKEAZ-UHFFFAOYSA-N 1 0 181.283 1.750 20 0 ADADRO NC(=[NH2+])NC[C@H]1CCC[C@H]1C1CC1 335252810 169137844 /nfs/dbraw/zinc/13/78/44/169137844.db2.gz PKMYEQPWSKDOGW-BDAKNGLRSA-N 1 0 181.283 1.296 20 0 ADADRO NC(=[NH2+])NC[C@H]1CCCCC1(F)F 306761055 169137862 /nfs/dbraw/zinc/13/78/62/169137862.db2.gz WVZHFVKEGSFVQW-ZCFIWIBFSA-N 1 0 191.225 1.295 20 0 ADADRO NC(=[NH2+])NC[C@@H]1CCC[C@@H]1C1CC1 335252812 169137963 /nfs/dbraw/zinc/13/79/63/169137963.db2.gz PKMYEQPWSKDOGW-DTWKUNHWSA-N 1 0 181.283 1.296 20 0 ADADRO NC(=[NH2+])NC[C@@H]1CCC[C@H]1C1CC1 335252815 169138038 /nfs/dbraw/zinc/13/80/38/169138038.db2.gz PKMYEQPWSKDOGW-IUCAKERBSA-N 1 0 181.283 1.296 20 0 ADADRO NC(=[NH2+])NC[C@@H]1CCCCC1(F)F 306761054 169138081 /nfs/dbraw/zinc/13/80/81/169138081.db2.gz WVZHFVKEGSFVQW-LURJTMIESA-N 1 0 191.225 1.295 20 0 ADADRO NC(=[NH2+])NCCC1CCCCC1 1571114 169138110 /nfs/dbraw/zinc/13/81/10/169138110.db2.gz MNHLBXADMWUMJM-UHFFFAOYSA-N 1 0 169.272 1.440 20 0 ADADRO NC(=[NH2+])NCCc1cccc(Cl)c1 13759260 169138119 /nfs/dbraw/zinc/13/81/19/169138119.db2.gz JZSPAHAWDCQCEX-UHFFFAOYSA-N 1 0 197.669 1.366 20 0 ADADRO NC(=[NH2+])NCC1CCC(F)(F)CC1 334169010 169138173 /nfs/dbraw/zinc/13/81/73/169138173.db2.gz AZBQDRPTNQTYMG-UHFFFAOYSA-N 1 0 191.225 1.295 20 0 ADADRO NC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 335667905 169138198 /nfs/dbraw/zinc/13/81/98/169138198.db2.gz POYTYMIDBIUQHT-ZCFIWIBFSA-N 1 0 191.225 1.295 20 0 ADADRO NC(=[NH2+])NCCC1CCCC1 52019866 169138204 /nfs/dbraw/zinc/13/82/04/169138204.db2.gz ZUCOPTXXKYGFGD-UHFFFAOYSA-N 1 0 155.245 1.050 20 0 ADADRO NC(=[NH2+])N1CC[C@H]2CCCC[C@@H]21 211174861 169138283 /nfs/dbraw/zinc/13/82/83/169138283.db2.gz FZTAWHSKHRDTDB-SFYZADRCSA-N 1 0 167.256 1.144 20 0 ADADRO NC(=[NH2+])NC[C@H]1CCc2ccccc21 334475648 169138300 /nfs/dbraw/zinc/13/83/00/169138300.db2.gz OAZZARQGORTBOS-SECBINFHSA-N 1 0 189.262 1.199 20 0 ADADRO NC(=[NH2+])N1CC[C@@H]2CCCC[C@H]21 96610520 169138309 /nfs/dbraw/zinc/13/83/09/169138309.db2.gz FZTAWHSKHRDTDB-JGVFFNPUSA-N 1 0 167.256 1.144 20 0 ADADRO NC(=[NH2+])NC1CC(c2ccccc2)C1 336345727 169138501 /nfs/dbraw/zinc/13/85/01/169138501.db2.gz HQEFXDPPJJHBHV-UHFFFAOYSA-N 1 0 189.262 1.416 20 0 ADADRO NC(=[NH2+])NC[C@@H]1C[C@H]1C1CCCCC1 334883026 169138516 /nfs/dbraw/zinc/13/85/16/169138516.db2.gz NPXJFILLEDSMDC-UWVGGRQHSA-N 1 0 195.310 1.686 20 0 ADADRO NC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 335667904 169138581 /nfs/dbraw/zinc/13/85/81/169138581.db2.gz POYTYMIDBIUQHT-LURJTMIESA-N 1 0 191.225 1.295 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 336431457 169138736 /nfs/dbraw/zinc/13/87/36/169138736.db2.gz NMAVLRBZLYNWRG-NXEZZACHSA-N 1 0 189.262 1.101 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1 335709935 169138755 /nfs/dbraw/zinc/13/87/55/169138755.db2.gz KIBBTWWFPMFOAD-DTWKUNHWSA-N 1 0 181.283 1.438 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 336431458 169138783 /nfs/dbraw/zinc/13/87/83/169138783.db2.gz NMAVLRBZLYNWRG-UWVGGRQHSA-N 1 0 189.262 1.101 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@@H]1C1CCCCC1 336566379 169138789 /nfs/dbraw/zinc/13/87/89/169138789.db2.gz KIBBTWWFPMFOAD-RKDXNWHRSA-N 1 0 181.283 1.438 20 0 ADADRO NC(=[NH2+])c1cc(-c2ccoc2)ccn1 71186698 169138913 /nfs/dbraw/zinc/13/89/13/169138913.db2.gz JUFVUJDSZIRQDV-UHFFFAOYSA-N 1 0 187.202 1.626 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 336512428 169139049 /nfs/dbraw/zinc/13/90/49/169139049.db2.gz MVXBZHZIGVDEPL-IUCAKERBSA-N 1 0 193.225 1.165 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 52035770 169139070 /nfs/dbraw/zinc/13/90/70/169139070.db2.gz GYNUFBIXRRVUSO-IUCAKERBSA-N 1 0 175.235 1.026 20 0 ADADRO NC(=[NH2+])c1cc(-c2ccco2)ccn1 71186699 169139118 /nfs/dbraw/zinc/13/91/18/169139118.db2.gz ISSIGXXASMSBBD-UHFFFAOYSA-N 1 0 187.202 1.626 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 52035774 169139326 /nfs/dbraw/zinc/13/93/26/169139326.db2.gz GYNUFBIXRRVUSO-BDAKNGLRSA-N 1 0 175.235 1.026 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 169323218 169139339 /nfs/dbraw/zinc/13/93/39/169139339.db2.gz GYNUFBIXRRVUSO-DTWKUNHWSA-N 1 0 175.235 1.026 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 336431459 169139355 /nfs/dbraw/zinc/13/93/55/169139355.db2.gz NMAVLRBZLYNWRG-VHSXEESVSA-N 1 0 189.262 1.101 20 0 ADADRO NC(=[NH2+])c1cc(Cl)cc(Cl)n1 71186704 169139397 /nfs/dbraw/zinc/13/93/97/169139397.db2.gz AWDNXEMCJGNFTP-UHFFFAOYSA-N 1 0 190.033 1.672 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@@H]1C1CCCCC1 336566377 169139404 /nfs/dbraw/zinc/13/94/04/169139404.db2.gz KIBBTWWFPMFOAD-BDAKNGLRSA-N 1 0 181.283 1.438 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 335709954 169139406 /nfs/dbraw/zinc/13/94/06/169139406.db2.gz NWYRHVGPUYQBML-DTWKUNHWSA-N 1 0 193.225 1.165 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 334145774 169139431 /nfs/dbraw/zinc/13/94/31/169139431.db2.gz MVXBZHZIGVDEPL-DTWKUNHWSA-N 1 0 193.225 1.165 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 336431460 169139570 /nfs/dbraw/zinc/13/95/70/169139570.db2.gz NMAVLRBZLYNWRG-ZJUUUORDSA-N 1 0 189.262 1.101 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 334591051 169139688 /nfs/dbraw/zinc/13/96/88/169139688.db2.gz HQEFXDPPJJHBHV-MGCOHNPYSA-N 1 0 189.262 1.416 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 336512429 169139750 /nfs/dbraw/zinc/13/97/50/169139750.db2.gz MVXBZHZIGVDEPL-RKDXNWHRSA-N 1 0 193.225 1.165 20 0 ADADRO NC(=[NH2+])c1ccc(-c2ccco2)cn1 71186700 169139787 /nfs/dbraw/zinc/13/97/87/169139787.db2.gz SLDQJAVBRWNNIE-UHFFFAOYSA-N 1 0 187.202 1.626 20 0 ADADRO NC(=[NH2+])c1cc(-n2cccc2)ccn1 71186696 169139831 /nfs/dbraw/zinc/13/98/31/169139831.db2.gz OIKYAECQKVKKIF-UHFFFAOYSA-N 1 0 186.218 1.156 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@H]1C1CCCCC1 336566378 169139947 /nfs/dbraw/zinc/13/99/47/169139947.db2.gz KIBBTWWFPMFOAD-IUCAKERBSA-N 1 0 181.283 1.438 20 0 ADADRO NC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F 335250389 169139957 /nfs/dbraw/zinc/13/99/57/169139957.db2.gz DWXGTTVVVXMNOM-IONNQARKSA-N 1 0 193.225 1.165 20 0 ADADRO NC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 336512427 169140100 /nfs/dbraw/zinc/14/01/00/169140100.db2.gz MVXBZHZIGVDEPL-BDAKNGLRSA-N 1 0 193.225 1.165 20 0 ADADRO [NH2+]=C(NC1CCCCCC1)NC1CC1 52041561 169140632 /nfs/dbraw/zinc/14/06/32/169140632.db2.gz TUNKJZSMDQFKLC-UHFFFAOYSA-N 1 0 195.310 1.986 20 0 ADADRO [NH2+]=C(NC1CC1)N1CCCCC1 52037133 169140747 /nfs/dbraw/zinc/14/07/47/169140747.db2.gz UVFSQKAQKGPKSD-UHFFFAOYSA-N 1 0 167.256 1.159 20 0 ADADRO NC(=[NH2+])c1cccnc1C(F)(F)F 75895902 169140830 /nfs/dbraw/zinc/14/08/30/169140830.db2.gz AQYWIWCNDACDSY-UHFFFAOYSA-N 1 0 189.140 1.384 20 0 ADADRO [NH2+]=C(NCCCO)Nc1ccccc1 52047001 169140926 /nfs/dbraw/zinc/14/09/26/169140926.db2.gz UFRPFKFZUKFHGW-UHFFFAOYSA-N 1 0 193.250 1.005 20 0 ADADRO [NH2+]=C(NCC1CCC1)NC1CCCC1 52047052 169141210 /nfs/dbraw/zinc/14/12/10/169141210.db2.gz ADUSSQGDAFFDHX-UHFFFAOYSA-N 1 0 195.310 1.843 20 0 ADADRO [NH2+]=C(NCC1CCC1)NC1CC1 52041602 169141354 /nfs/dbraw/zinc/14/13/54/169141354.db2.gz JLHCPUAPPFRJQS-UHFFFAOYSA-N 1 0 167.256 1.063 20 0 ADADRO NC(=[NH2+])c1ccc2cccc(F)c2n1 62612041 169141527 /nfs/dbraw/zinc/14/15/27/169141527.db2.gz OYKLMDKLJZJXON-UHFFFAOYSA-N 1 0 189.193 1.658 20 0 ADADRO NC(=[NH2+])c1cccc(-c2ccco2)n1 71186697 169141598 /nfs/dbraw/zinc/14/15/98/169141598.db2.gz UXKYTZJREKUCMK-UHFFFAOYSA-N 1 0 187.202 1.626 20 0 ADADRO NC(=[NH2+])c1cccc2c1CCC2=O 26271763 169141865 /nfs/dbraw/zinc/14/18/65/169141865.db2.gz ATXHUWAEELZVAF-UHFFFAOYSA-N 1 0 174.203 1.100 20 0 ADADRO [NH2+]=C(NCC1CC1)NC1CCCC1 52046686 169142012 /nfs/dbraw/zinc/14/20/12/169142012.db2.gz XOJBRXJCZFBUTH-UHFFFAOYSA-N 1 0 181.283 1.453 20 0 ADADRO [NH2+]=C(NC1CCCC1)NC1CC1 52040730 169142030 /nfs/dbraw/zinc/14/20/30/169142030.db2.gz MJGFVARNJFADSZ-UHFFFAOYSA-N 1 0 167.256 1.205 20 0 ADADRO NC(=O)CN1CCC[C@@H]1c1ccc[nH]1 334410742 169142316 /nfs/dbraw/zinc/14/23/16/169142316.db2.gz MSDVCQWYPZZLNB-SECBINFHSA-N 1 0 193.250 1.687 20 0 ADADRO NC(=O)C[NH2+][C@H]1CCC12CCCC2 336255040 169142454 /nfs/dbraw/zinc/14/24/54/169142454.db2.gz ODVLTGFDCFORDU-QMMMGPOBSA-N 1 0 182.267 1.834 20 0 ADADRO NC(=O)C1C[NH+](C2CCCCC2)C1 335584593 169142463 /nfs/dbraw/zinc/14/24/63/169142463.db2.gz ZXOVVZFVYICXCH-UHFFFAOYSA-N 1 0 182.267 1.786 20 0 ADADRO NC(=O)CN1CC[C@@H]1c1ccccc1 336056632 169142472 /nfs/dbraw/zinc/14/24/72/169142472.db2.gz ITOIHCRLIDFDHT-SNVBAGLBSA-N 1 0 190.246 1.969 20 0 ADADRO [NH2+]=C(Nc1ccccc1)NC1CC1 52046660 169142537 /nfs/dbraw/zinc/14/25/37/169142537.db2.gz NKCMZNMFNMEQGP-UHFFFAOYSA-N 1 0 175.235 1.785 20 0 ADADRO NC(=O)CN1CCCc2occc2C1 335993879 169142540 /nfs/dbraw/zinc/14/25/40/169142540.db2.gz XVERIUGNGOWOHZ-UHFFFAOYSA-N 1 0 194.234 1.563 20 0 ADADRO NC(=O)C[NH2+][C@@H]1CCC12CCCC2 336255039 169142599 /nfs/dbraw/zinc/14/25/99/169142599.db2.gz ODVLTGFDCFORDU-MRVPVSSYSA-N 1 0 182.267 1.834 20 0 ADADRO NC(=O)CN1CC[C@H]1c1ccccc1 336056631 169143447 /nfs/dbraw/zinc/14/34/47/169143447.db2.gz ITOIHCRLIDFDHT-JTQLQIEISA-N 1 0 190.246 1.969 20 0 ADADRO NC(=O)CN1CCC[C@H]1c1ccc[nH]1 334410743 169143538 /nfs/dbraw/zinc/14/35/38/169143538.db2.gz MSDVCQWYPZZLNB-VIFPVBQESA-N 1 0 193.250 1.687 20 0 ADADRO NC(=O)CN1CCOCC2(CCC2)C1 336618628 169143719 /nfs/dbraw/zinc/14/37/19/169143719.db2.gz MQMDYHRXTZOSPV-UHFFFAOYSA-N 1 0 198.266 1.024 20 0 ADADRO NC(=O)CN1CCOC2(CCCC2)C1 334663933 169143765 /nfs/dbraw/zinc/14/37/65/169143765.db2.gz VGEIQGDQIBHVEZ-UHFFFAOYSA-N 1 0 198.266 1.167 20 0 ADADRO [NH2+]=C1Cc2ccccc2N1 100761636 169144674 /nfs/dbraw/zinc/14/46/74/169144674.db2.gz XGUYQMRMCDSQLX-UHFFFAOYSA-N 1 0 132.166 1.632 20 0 in-vitro ADADRO NC(=O)C1([NH2+]C2CCCCCC2)CC1 236270338 169146139 /nfs/dbraw/zinc/14/61/39/169146139.db2.gz ZDBDJBIJULSRMJ-UHFFFAOYSA-N 1 0 196.294 1.317 20 0 ADADRO NC(=O)C1([NH2+]CC2CC2)CCCCC1 37947025 169146902 /nfs/dbraw/zinc/14/69/02/169146902.db2.gz BDZJNWSFTAXQJE-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 44352436 169150601 /nfs/dbraw/zinc/15/06/01/169150601.db2.gz NAEWFXQUOQEJMU-JTQLQIEISA-N 1 0 196.294 1.126 20 0 ADADRO NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 44352438 169150753 /nfs/dbraw/zinc/15/07/53/169150753.db2.gz NAEWFXQUOQEJMU-SNVBAGLBSA-N 1 0 196.294 1.126 20 0 ADADRO NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 48695327 169150833 /nfs/dbraw/zinc/15/08/33/169150833.db2.gz UVRJLAFIQMERRL-NXEZZACHSA-N 1 0 196.294 1.126 20 0 ADADRO NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 48695323 169151450 /nfs/dbraw/zinc/15/14/50/169151450.db2.gz UVRJLAFIQMERRL-VHSXEESVSA-N 1 0 196.294 1.126 20 0 ADADRO NC(=O)C[NH+]1CCC2(CCCC2)CC1 62955579 169152161 /nfs/dbraw/zinc/15/21/61/169152161.db2.gz NGNAYNFRTLJNBK-UHFFFAOYSA-N 1 0 196.294 1.128 20 0 ADADRO NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 48695325 169152196 /nfs/dbraw/zinc/15/21/96/169152196.db2.gz UVRJLAFIQMERRL-UWVGGRQHSA-N 1 0 196.294 1.126 20 0 ADADRO NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 48695328 169152219 /nfs/dbraw/zinc/15/22/19/169152219.db2.gz UVRJLAFIQMERRL-ZJUUUORDSA-N 1 0 196.294 1.126 20 0 ADADRO NC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCCC1 238620334 169160703 /nfs/dbraw/zinc/16/07/03/169160703.db2.gz NAKUWILJWOVUEQ-ZJUUUORDSA-N 1 0 196.294 1.173 20 0 ADADRO NC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CCCC1 238620478 169160789 /nfs/dbraw/zinc/16/07/89/169160789.db2.gz NAKUWILJWOVUEQ-NXEZZACHSA-N 1 0 196.294 1.173 20 0 ADADRO NC(=O)[C@H]1CCC[C@H]1[NH2+]C1CCCC1 238562056 169162423 /nfs/dbraw/zinc/16/24/23/169162423.db2.gz NAKUWILJWOVUEQ-VHSXEESVSA-N 1 0 196.294 1.173 20 0 ADADRO NC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCCC1 238561912 169162459 /nfs/dbraw/zinc/16/24/59/169162459.db2.gz NAKUWILJWOVUEQ-UWVGGRQHSA-N 1 0 196.294 1.173 20 0 ADADRO C[C@@H](C[NH2+]Cc1cnn(C)c1)C1CC1 136352690 343980106 /nfs/dbraw/zinc/98/01/06/343980106.db2.gz WLYLRGOACMLZAQ-VIFPVBQESA-N 1 0 193.294 1.556 20 0 ADADRO NC(=S)[C@@H]([NH3+])c1ccc(F)cc1 68577634 169166178 /nfs/dbraw/zinc/16/61/78/169166178.db2.gz OHWCJIJJVJFKEU-ZETCQYMHSA-N 1 0 184.239 1.112 20 0 ADADRO NC(=S)[C@H]([NH3+])c1ccc(F)cc1 68577635 169167027 /nfs/dbraw/zinc/16/70/27/169167027.db2.gz OHWCJIJJVJFKEU-SSDOTTSWSA-N 1 0 184.239 1.112 20 0 ADADRO [NH3+]C1(C(=O)Nc2ccc(F)cc2)CC1 83833896 169168884 /nfs/dbraw/zinc/16/88/84/169168884.db2.gz VKHFUTUNSQNHAG-UHFFFAOYSA-N 1 0 194.209 1.256 20 0 in-vitro ADADRO [NH3+]C1(COc2ccc(Cl)nc2)CC1 29126773 169168922 /nfs/dbraw/zinc/16/89/22/169168922.db2.gz KRFOQOGWOIHCHT-UHFFFAOYSA-N 1 0 198.653 1.605 20 0 in-vitro ADADRO [NH3+]C1(C(=O)NCC2CC2)CCCCC1 19488500 169168940 /nfs/dbraw/zinc/16/89/40/169168940.db2.gz LATRZYPBUMXFMQ-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO [NH3+]C1(C2CCOCC2)CCC1 82844735 169168961 /nfs/dbraw/zinc/16/89/61/169168961.db2.gz CCQBGLWYLRXQBO-UHFFFAOYSA-N 1 0 155.241 1.294 20 0 ADADRO [NH3+]C1(C(=O)NC2CCCC2)CCCC1 37479352 169169038 /nfs/dbraw/zinc/16/90/38/169169038.db2.gz CUTNUPNBCXWWQW-UHFFFAOYSA-N 1 0 196.294 1.317 20 0 ADADRO [NH3+]C1(C(=O)N[C@@H]2C=CCCC2)CCC1 335527746 169169174 /nfs/dbraw/zinc/16/91/74/169169174.db2.gz DMQXFUHZYIMPFN-SECBINFHSA-N 1 0 194.278 1.093 20 0 ADADRO [NH3+]C1(C(=O)NCC2CCC2)CCCC1 37479461 169169223 /nfs/dbraw/zinc/16/92/23/169169223.db2.gz CLKFUPIVBBOXFF-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO [NH3+]C1(CNC(=O)C2CC2)CCCCC1 307507072 169169255 /nfs/dbraw/zinc/16/92/55/169169255.db2.gz MFIBLSONBWFEHP-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO [NH3+]C1(C(=O)N[C@H]2C=CCCC2)CCC1 335527749 169169422 /nfs/dbraw/zinc/16/94/22/169169422.db2.gz DMQXFUHZYIMPFN-VIFPVBQESA-N 1 0 194.278 1.093 20 0 ADADRO [NH3+]C1(C(=O)NC2CCC2)CCCCC1 52210971 169169488 /nfs/dbraw/zinc/16/94/88/169169488.db2.gz TUKPXEHOWCUQRY-UHFFFAOYSA-N 1 0 196.294 1.317 20 0 ADADRO [NH2+]=C1NCc2cc(Cl)ccc21 238616181 169170592 /nfs/dbraw/zinc/17/05/92/169170592.db2.gz AZXLLCGHEXJVGE-UHFFFAOYSA-N 1 0 166.611 1.559 20 0 ADADRO [NH2+]=C1NCc2ccc(F)cc21 71372393 169171391 /nfs/dbraw/zinc/17/13/91/169171391.db2.gz SZMIZUFNIBWLFW-UHFFFAOYSA-N 1 0 150.156 1.045 20 0 in-vitro ADADRO [NH3+]C1CCC(NC(=O)C2CCC2)CC1 36880362 169171912 /nfs/dbraw/zinc/17/19/12/169171912.db2.gz LRTPEVHCNZAXAW-UHFFFAOYSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+]C1CCC(N2CCCCC2=O)CC1 70821442 169172100 /nfs/dbraw/zinc/17/21/00/169172100.db2.gz QBRVEQVNUXYDAN-UHFFFAOYSA-N 1 0 196.294 1.269 20 0 in-vitro ADADRO [NH3+]C1CC(O)(Cc2cccc(F)c2)C1 87653096 169172585 /nfs/dbraw/zinc/17/25/85/169172585.db2.gz HVRIETLSXBVWMD-UHFFFAOYSA-N 1 0 195.237 1.220 20 0 in-vitro ADADRO [NH3+]C1CCC(OC(F)F)CC1 96034475 169172900 /nfs/dbraw/zinc/17/29/00/169172900.db2.gz NRPDIKHIOPBBKH-UHFFFAOYSA-N 1 0 165.183 1.496 20 0 in-vitro ADADRO [NH3+]C1CCC(Oc2cnccn2)CC1 39090451 169172936 /nfs/dbraw/zinc/17/29/36/169172936.db2.gz RMVXHXGOICIBCO-UHFFFAOYSA-N 1 0 193.250 1.125 20 0 in-vitro ADADRO [NH3+]C1C[C@H]2CC[C@@H]2C1 66054794 169173570 /nfs/dbraw/zinc/17/35/70/169173570.db2.gz RCJIJEPMHWIWEU-PHDIDXHHSA-N 1 0 111.188 1.134 20 0 ADADRO [NH3+]C1C[C@@H]2CC[C@H]2C1 66054792 169173583 /nfs/dbraw/zinc/17/35/83/169173583.db2.gz RCJIJEPMHWIWEU-WDSKDSINSA-N 1 0 111.188 1.134 20 0 ADADRO [NH3+]CC(=O)NC1CCCCCCC1 19512312 169174341 /nfs/dbraw/zinc/17/43/41/169174341.db2.gz JRSQVQFHCIYEBO-UHFFFAOYSA-N 1 0 184.283 1.174 20 0 ADADRO [NH3+]CC(=O)NCCC1CCCCC1 37740181 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KSCWMIBSGBFCRN-UHFFFAOYSA-N 1 0 180.232 1.862 20 0 ADADRO [NH3+]Cc1ncc(-c2ccccc2)cn1 70947521 169230749 /nfs/dbraw/zinc/23/07/49/169230749.db2.gz LUXPSIILQXKKGX-UHFFFAOYSA-N 1 0 185.230 1.602 20 0 in-vitro ADADRO [NH3+]Cc1ncoc1-c1ccccc1 74941735 169230804 /nfs/dbraw/zinc/23/08/04/169230804.db2.gz WDSJMHVEHRAEBR-UHFFFAOYSA-N 1 0 174.203 1.800 20 0 in-vitro ADADRO [NH3+]Cc1nccnc1-c1cccs1 82530427 169230881 /nfs/dbraw/zinc/23/08/81/169230881.db2.gz VQQXPKYXAAFUTJ-UHFFFAOYSA-N 1 0 191.259 1.664 20 0 ADADRO [NH3+]Cc1nccnc1NC1CCCC1 54378233 169230893 /nfs/dbraw/zinc/23/08/93/169230893.db2.gz MXCXSCWJWPQOEK-UHFFFAOYSA-N 1 0 192.266 1.290 20 0 ADADRO [NH3+]Cc1nccn1CC1CCCCC1 51004210 169231095 /nfs/dbraw/zinc/23/10/95/169231095.db2.gz MFWSTQGCICILPO-UHFFFAOYSA-N 1 0 193.294 1.922 20 0 ADADRO [NH3+]Cc1ncoc1-c1cccs1 82634944 169231137 /nfs/dbraw/zinc/23/11/37/169231137.db2.gz PLTPXYJKWBNMOH-UHFFFAOYSA-N 1 0 180.232 1.862 20 0 ADADRO [NH3+]Cc1nccn1CC1CCCC1 51004110 169231214 /nfs/dbraw/zinc/23/12/14/169231214.db2.gz OAVNLHUQKOPTTH-UHFFFAOYSA-N 1 0 179.267 1.532 20 0 ADADRO Nc1cc2ccccc2nc1C[NH3+] 299889321 169231322 /nfs/dbraw/zinc/23/13/22/169231322.db2.gz HQXSCNZWFIOBLQ-UHFFFAOYSA-N 1 0 173.219 1.276 20 0 ADADRO [NH3+]Cc1nccnc1-c1ccccc1 82529877 169231362 /nfs/dbraw/zinc/23/13/62/169231362.db2.gz YBRFKRZYYBLASQ-UHFFFAOYSA-N 1 0 185.230 1.602 20 0 ADADRO [NH3+]Cc1nc2ccccn2c1Cl 83253544 169231615 /nfs/dbraw/zinc/23/16/15/169231615.db2.gz NBSIZJDUDSHRAP-UHFFFAOYSA-N 1 0 181.626 1.446 20 0 ADADRO [NH3+]Cc1sccc1F 82836715 169232379 /nfs/dbraw/zinc/23/23/79/169232379.db2.gz BPKYIZAYIBRZBQ-UHFFFAOYSA-N 1 0 131.175 1.346 20 0 ADADRO [NH3+]Cc1nnc2ccccc2c1Cl 68577546 169232534 /nfs/dbraw/zinc/23/25/34/169232534.db2.gz IEPHRWVHONMEIG-UHFFFAOYSA-N 1 0 193.637 1.742 20 0 ADADRO [NH3+]Cc1scnc1Br 82388556 169232986 /nfs/dbraw/zinc/23/29/86/169232986.db2.gz BJMOCLKYCZZGAS-UHFFFAOYSA-N 1 0 193.069 1.364 20 0 ADADRO NNc1ccc(-c2ccsc2)n[nH+]1 50341081 169237743 /nfs/dbraw/zinc/23/77/43/169237743.db2.gz ZDCYRVXFOVEWMA-UHFFFAOYSA-N 1 0 192.247 1.491 20 0 ADADRO [NH3+][C@@H](C(=O)NC1CC1)C1CCCCC1 77296063 169241770 /nfs/dbraw/zinc/24/17/70/169241770.db2.gz MLIWRHQOBONJJD-SNVBAGLBSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H](C(=O)NC1CCCC1)C1CCC1 306745599 169241824 /nfs/dbraw/zinc/24/18/24/169241824.db2.gz APZDWDBUQULDQK-SNVBAGLBSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H](C(=O)N1CCCCC1)C1CCC1 306972261 169242483 /nfs/dbraw/zinc/24/24/83/169242483.db2.gz UEJYUXNAHFOYBK-SNVBAGLBSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H](CF)c1ccc2c(c1)OCO2 20285920 169244323 /nfs/dbraw/zinc/24/43/23/169244323.db2.gz OPMHHCIMSYBWNI-ZETCQYMHSA-N 1 0 183.182 1.385 20 0 ADADRO [NH3+][C@@H](CCO)c1ccc(Cl)cn1 83276796 169244363 /nfs/dbraw/zinc/24/43/63/169244363.db2.gz RYKKMPYHBHEINL-ZETCQYMHSA-N 1 0 186.642 1.117 20 0 ADADRO [NH3+][C@@H](CF)c1ccccc1F 20285898 169244743 /nfs/dbraw/zinc/24/47/43/169244743.db2.gz VWIAOZWPEBAVMJ-QMMMGPOBSA-N 1 0 157.163 1.795 20 0 ADADRO [NH3+][C@@H](CCO)c1c[nH]c2ccccc12 71500750 169244826 /nfs/dbraw/zinc/24/48/26/169244826.db2.gz QDEFOEUEGBSZFU-JTQLQIEISA-N 1 0 190.246 1.550 20 0 ADADRO [NH3+][C@@H](CF)c1ccc2c(c1)OCCO2 20285914 169244994 /nfs/dbraw/zinc/24/49/94/169244994.db2.gz BMYPPLZCPSWQBC-QMMMGPOBSA-N 1 0 197.209 1.427 20 0 ADADRO [NH3+][C@@H](CCO)c1cccnc1Cl 95077216 169245128 /nfs/dbraw/zinc/24/51/28/169245128.db2.gz UBSVHMZWGPWGPE-ZETCQYMHSA-N 1 0 186.642 1.117 20 0 ADADRO [NH3+][C@@H](CO)c1cc(F)ccc1Cl 72197662 169245482 /nfs/dbraw/zinc/24/54/82/169245482.db2.gz NJCRJRKCTSAZTQ-QMMMGPOBSA-N 1 0 189.617 1.471 20 0 ADADRO [NH3+][C@@H](CO)c1ccc(O)cc1Cl 72197609 169245913 /nfs/dbraw/zinc/24/59/13/169245913.db2.gz YMYNFWFRFCTWEX-QMMMGPOBSA-N 1 0 187.626 1.038 20 0 ADADRO [NH3+][C@@H](CO)c1ccc(F)cc1Cl 72197660 169246184 /nfs/dbraw/zinc/24/61/84/169246184.db2.gz YYOIWLGZZGFMGF-QMMMGPOBSA-N 1 0 189.617 1.471 20 0 ADADRO [NH3+][C@@H](CO)c1cc2ccccc2o1 36949500 169246528 /nfs/dbraw/zinc/24/65/28/169246528.db2.gz RGPFVVNMRDRSNU-QMMMGPOBSA-N 1 0 177.203 1.425 20 0 ADADRO [NH3+][C@@H](CO)c1cc(F)cc(Cl)c1 72197658 169246660 /nfs/dbraw/zinc/24/66/60/169246660.db2.gz PSEARNCXRNCEIO-QMMMGPOBSA-N 1 0 189.617 1.471 20 0 ADADRO [NH3+][C@@H](CO)c1ccc2ncccc2c1 69050974 169246704 /nfs/dbraw/zinc/24/67/04/169246704.db2.gz KSUDWYDDYBJRHF-JTQLQIEISA-N 1 0 188.230 1.227 20 0 ADADRO [NH3+][C@@H](CO)c1cccc2cnccc12 72197631 169246721 /nfs/dbraw/zinc/24/67/21/169246721.db2.gz JUPIEUJXQWMLKQ-NSHDSACASA-N 1 0 188.230 1.227 20 0 ADADRO [NH3+][C@@H](Cc1ccccc1)c1cnco1 90397748 169247799 /nfs/dbraw/zinc/24/77/99/169247799.db2.gz PWADVBXNGZNMGB-JTQLQIEISA-N 1 0 188.230 1.917 20 0 ADADRO [NH3+][C@@H](c1ccccn1)C1CCOCC1 68956958 169248805 /nfs/dbraw/zinc/24/88/05/169248805.db2.gz RAQZBBDKNHBWRW-LLVKDONJSA-N 1 0 192.262 1.508 20 0 ADADRO [NH3+][C@@H](c1cc(C2CC2)on1)C1CC1 91351781 169248966 /nfs/dbraw/zinc/24/89/66/169248966.db2.gz YLKSKELDBVJQII-SNVBAGLBSA-N 1 0 178.235 1.962 20 0 ADADRO [NH3+][C@@H](c1ccccc1)C1(CO)CCC1 238854639 169249211 /nfs/dbraw/zinc/24/92/11/169249211.db2.gz OQIOVDLNYHDZBT-NSHDSACASA-N 1 0 191.274 1.849 20 0 in-vitro ADADRO [NH3+][C@@H](c1ccncc1)C1CCOCC1 68956976 169249238 /nfs/dbraw/zinc/24/92/38/169249238.db2.gz PHPCZKXXBSAOLF-NSHDSACASA-N 1 0 192.262 1.508 20 0 ADADRO [NH3+][C@@H](c1ccc(F)cc1)C1(O)CCC1 90411134 169249342 /nfs/dbraw/zinc/24/93/42/169249342.db2.gz JAQRAAODBNKKSG-JTQLQIEISA-N 1 0 195.237 1.741 20 0 ADADRO [NH3+][C@@H](c1ccco1)C1CCOCC1 61672206 169249387 /nfs/dbraw/zinc/24/93/87/169249387.db2.gz HISLEKGKPCLRJO-SNVBAGLBSA-N 1 0 181.235 1.706 20 0 ADADRO [NH3+][C@@H](c1cccnc1)c1ccccn1 37761805 169249411 /nfs/dbraw/zinc/24/94/11/169249411.db2.gz KBNVPYXMRGBMBD-NSHDSACASA-N 1 0 185.230 1.525 20 0 ADADRO [NH3+][C@@H](c1cccnc1)C1CCC1 83121460 169249582 /nfs/dbraw/zinc/24/95/82/169249582.db2.gz ARKRGKJRMBSXJK-SNVBAGLBSA-N 1 0 162.236 1.882 20 0 ADADRO [NH3+][C@@H](c1ccccn1)C1CCC1 84329893 169250040 /nfs/dbraw/zinc/25/00/40/169250040.db2.gz FASZCMBNRAFLOT-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/25/12/97/169251297.db2.gz ZGKVRYOUJKEBAL-VIFPVBQESA-N 1 0 147.177 1.377 20 0 ADADRO [NH3+][C@@H]1CC(=O)c2cc(F)c(F)cc21 95221066 169251313 /nfs/dbraw/zinc/25/13/13/169251313.db2.gz XNYIPDLHDWBKKF-MRVPVSSYSA-N 1 0 183.157 1.551 20 0 ADADRO [NH3+][C@@H]1CCCN(C/C=C/Cl)C1 41029164 169251459 /nfs/dbraw/zinc/25/14/59/169251459.db2.gz VOFARYCAMDINKQ-BYDTYLDUSA-N 1 0 174.675 1.162 20 0 ADADRO [NH3+][C@@H]1CCCN(CCC(F)(F)F)C1 70652234 169251485 /nfs/dbraw/zinc/25/14/85/169251485.db2.gz RQAOPYVEKLOQAN-SSDOTTSWSA-N 1 0 196.216 1.362 20 0 ADADRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCCC2)C1 55085815 169251494 /nfs/dbraw/zinc/25/14/94/169251494.db2.gz DUMLTVORGHQBLA-NXEZZACHSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CCCCC[C@H]1NCCF 335498820 169251536 /nfs/dbraw/zinc/25/15/36/169251536.db2.gz WUXHCJTULSDAGT-RKDXNWHRSA-N 1 0 174.263 1.206 20 0 ADADRO [NH3+][C@@H]1CCCN(Cc2ccsc2)C1 41027616 169251544 /nfs/dbraw/zinc/25/15/44/169251544.db2.gz YUFKCNYFHBKOGA-SNVBAGLBSA-N 1 0 196.319 1.671 20 0 ADADRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 55085808 169251566 /nfs/dbraw/zinc/25/15/66/169251566.db2.gz CQGJDDAOCFKHMJ-VHSXEESVSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccno1 335279636 169251585 /nfs/dbraw/zinc/25/15/85/169251585.db2.gz JENKAFCLAXACAU-NXEZZACHSA-N 1 0 195.266 1.034 20 0 ADADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CCC2)C1 70502970 169251727 /nfs/dbraw/zinc/25/17/27/169251727.db2.gz XGELJUJUOISILJ-RKDXNWHRSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC1CC1 49731486 169251772 /nfs/dbraw/zinc/25/17/72/169251772.db2.gz YRHPAKYQIZNNQG-NXEZZACHSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1CCCCC[C@@H]1F 88611423 169251942 /nfs/dbraw/zinc/25/19/42/169251942.db2.gz ZRWYGOIICXWZNW-NKWVEPMBSA-N 1 0 131.194 1.616 20 0 ADADRO [NH3+][C@@H]1CCCN(Cc2cscn2)C1 42289070 169251968 /nfs/dbraw/zinc/25/19/68/169251968.db2.gz LCASWUVMSDSOJJ-MRVPVSSYSA-N 1 0 197.307 1.066 20 0 ADADRO [NH3+][C@@H]1CCCC[C@](O)(C(F)(F)F)C1 95883822 169251974 /nfs/dbraw/zinc/25/19/74/169251974.db2.gz GFBLVSSSEZMQMK-RNFRBKRXSA-N 1 0 197.200 1.571 20 0 ADADRO [NH3+][C@@H]1CCCN[C@H]1c1cccs1 58520102 169251994 /nfs/dbraw/zinc/25/19/94/169251994.db2.gz RDIMCDMSCHXMSM-VXNVDRBHSA-N 1 0 182.292 1.500 20 0 ADADRO [NH3+][C@@H]1CCCO[C@H]1c1ccncc1 238852691 169252037 /nfs/dbraw/zinc/25/20/37/169252037.db2.gz HCFJJELKYFVCQU-ZJUUUORDSA-N 1 0 178.235 1.260 20 0 ADADRO [NH3+][C@@H]1CCCO[C@@H]1c1ccncc1 238852689 169252050 /nfs/dbraw/zinc/25/20/50/169252050.db2.gz HCFJJELKYFVCQU-NXEZZACHSA-N 1 0 178.235 1.260 20 0 ADADRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CC2)C1 70502643 169252064 /nfs/dbraw/zinc/25/20/64/169252064.db2.gz IDTLDDSYSFREHD-NXEZZACHSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+][C@@H]1CCCN[C@@H]1c1cccs1 58520100 169252076 /nfs/dbraw/zinc/25/20/76/169252076.db2.gz RDIMCDMSCHXMSM-APPZFPTMSA-N 1 0 182.292 1.500 20 0 ADADRO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC1 307177927 169252083 /nfs/dbraw/zinc/25/20/83/169252083.db2.gz XUQNUBVQPOYQSB-PSASIEDQSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1CCCCC[C@@H]1NCCF 335498817 169252084 /nfs/dbraw/zinc/25/20/84/169252084.db2.gz WUXHCJTULSDAGT-BDAKNGLRSA-N 1 0 174.263 1.206 20 0 ADADRO [NH3+][C@@H]1CCCN(Cc2ccco2)C1 38539964 169252088 /nfs/dbraw/zinc/25/20/88/169252088.db2.gz ZVSNKSHGHZVJJE-SECBINFHSA-N 1 0 180.251 1.203 20 0 ADADRO N[C@@H]1CCC[N@H+](CC2CCC2)C1 70585037 169252112 /nfs/dbraw/zinc/25/21/12/169252112.db2.gz WWSDVPRPPNIBJQ-SNVBAGLBSA-N 1 0 168.284 1.210 20 0 ADADRO N[C@@H]1CCC[N@H+](CC2CCCC2)C1 48733266 169252143 /nfs/dbraw/zinc/25/21/43/169252143.db2.gz AXIQFLQUYOOOCA-LLVKDONJSA-N 1 0 182.311 1.600 20 0 ADADRO [NH3+][C@@H]1CCCCC[C@H]1F 88611421 169252162 /nfs/dbraw/zinc/25/21/62/169252162.db2.gz ZRWYGOIICXWZNW-RNFRBKRXSA-N 1 0 131.194 1.616 20 0 ADADRO [NH3+][C@@H]1CCCC[C@@H]1OC(F)F 158853081 169252192 /nfs/dbraw/zinc/25/21/92/169252192.db2.gz DOMHTRAXANSGMB-RITPCOANSA-N 1 0 165.183 1.496 20 0 ADADRO [NH3+][C@@H]1CCCC[C@@](O)(C(F)(F)F)C1 95883823 169252260 /nfs/dbraw/zinc/25/22/60/169252260.db2.gz GFBLVSSSEZMQMK-RQJHMYQMSA-N 1 0 197.200 1.571 20 0 ADADRO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC1 307177930 169252268 /nfs/dbraw/zinc/25/22/68/169252268.db2.gz XUQNUBVQPOYQSB-WCBMZHEXSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccon1 335275449 169252354 /nfs/dbraw/zinc/25/23/54/169252354.db2.gz CAPLKPWLUWEGEZ-NXEZZACHSA-N 1 0 195.266 1.034 20 0 ADADRO [NH3+][C@@H]1CCCN(C(=O)CCC2CC2)C1 335620219 169252382 /nfs/dbraw/zinc/25/23/82/169252382.db2.gz XWOUSWUETANJDR-SNVBAGLBSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CCCN(Cc2nccs2)C1 70585995 169252444 /nfs/dbraw/zinc/25/24/44/169252444.db2.gz UZNOWKCGYLVBQL-MRVPVSSYSA-N 1 0 197.307 1.066 20 0 ADADRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C1CCC1 38048889 169252521 /nfs/dbraw/zinc/25/25/21/169252521.db2.gz AHEJGVYDWQPCRU-NXEZZACHSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CCC2)C1 70502971 169252827 /nfs/dbraw/zinc/25/28/27/169252827.db2.gz XGELJUJUOISILJ-DTWKUNHWSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCCC2)C1 55085817 169252856 /nfs/dbraw/zinc/25/28/56/169252856.db2.gz DUMLTVORGHQBLA-VHSXEESVSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CCC[C@H]1c1nc(C2CC2)no1 71001023 169252966 /nfs/dbraw/zinc/25/29/66/169252966.db2.gz XKNXWKVPZOJCBY-HTQZYQBOSA-N 1 0 193.250 1.542 20 0 ADADRO [NH3+][C@@H]1CCCc2c1sc1nccn21 95883864 169253104 /nfs/dbraw/zinc/25/31/04/169253104.db2.gz BCXLNHUGNKSPAH-ZCFIWIBFSA-N 1 0 193.275 1.732 20 0 ADADRO [NH3+][C@@H]1CCCn2cccc21 82836914 169253151 /nfs/dbraw/zinc/25/31/51/169253151.db2.gz HDZMGMLRUNXAAV-SSDOTTSWSA-N 1 0 136.198 1.282 20 0 ADADRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2CC2)C1 211439886 169253181 /nfs/dbraw/zinc/25/31/81/169253181.db2.gz PMLKFJKGXOFZAP-PSASIEDQSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 335007497 169253354 /nfs/dbraw/zinc/25/33/54/169253354.db2.gz OWAWSJVHZMFZMS-VXGBXAGGSA-N 1 0 194.322 1.956 20 0 ADADRO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CC2)C1 70502642 169253430 /nfs/dbraw/zinc/25/34/30/169253430.db2.gz IDTLDDSYSFREHD-VHSXEESVSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C2CC2)C1 211439818 169253530 /nfs/dbraw/zinc/25/35/30/169253530.db2.gz PMLKFJKGXOFZAP-WCBMZHEXSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+][C@@H]1CCCc2[nH]ccc21 35569438 169253678 /nfs/dbraw/zinc/25/36/78/169253678.db2.gz XSHDKHHIMKMOFZ-SSDOTTSWSA-N 1 0 136.198 1.351 20 0 in-vitro ADADRO [NH3+][C@@H]1CCC[C@@H]1c1nc(C2CC2)no1 71001021 169253679 /nfs/dbraw/zinc/25/36/79/169253679.db2.gz XKNXWKVPZOJCBY-JGVFFNPUSA-N 1 0 193.250 1.542 20 0 ADADRO [NH3+][C@@H]1CCOC[C@H]1Cc1ccccc1 82389458 169253847 /nfs/dbraw/zinc/25/38/47/169253847.db2.gz VLARPTBEFYVSHX-VXGBXAGGSA-N 1 0 191.274 1.593 20 0 ADADRO [NH3+][C@@H]1CCN(CCC2CCCCC2)C1 37741964 169253877 /nfs/dbraw/zinc/25/38/77/169253877.db2.gz XILKRPAGVLQLEM-GFCCVEGCSA-N 1 0 196.338 1.990 20 0 ADADRO [NH3+][C@@H]1CCN(Cc2cccs2)C1 37483608 169253906 /nfs/dbraw/zinc/25/39/06/169253906.db2.gz GMXRYOASLQUMPP-MRVPVSSYSA-N 1 0 182.292 1.281 20 0 ADADRO [NH3+][C@@H]1CCO[C@@H]1c1ccccc1 72266598 169253920 /nfs/dbraw/zinc/25/39/20/169253920.db2.gz IDXIHGNMBVEUKC-NXEZZACHSA-N 1 0 163.220 1.475 20 0 ADADRO [NH3+][C@@H]1CCOc2cc(F)c(F)cc21 95639004 169254071 /nfs/dbraw/zinc/25/40/71/169254071.db2.gz GOQOIXARHKVMLS-MRVPVSSYSA-N 1 0 185.173 1.747 20 0 ADADRO [NH3+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 86250001 169254074 /nfs/dbraw/zinc/25/40/74/169254074.db2.gz HZGZIFLIEJLQJI-NXEZZACHSA-N 1 0 199.200 1.754 20 0 ADADRO [NH3+][C@@H]1CCO[C@@H](c2ccccn2)C1 69851280 169254124 /nfs/dbraw/zinc/25/41/24/169254124.db2.gz YBDZHJIYDLBGCL-PSASIEDQSA-N 1 0 178.235 1.260 20 0 ADADRO [NH3+][C@@H]1CCO[C@H](c2ccccn2)C1 69851278 169254487 /nfs/dbraw/zinc/25/44/87/169254487.db2.gz YBDZHJIYDLBGCL-SCZZXKLOSA-N 1 0 178.235 1.260 20 0 ADADRO [NH3+][C@@H]1CCN(C(=O)CC2CCCC2)C1 50228403 169254509 /nfs/dbraw/zinc/25/45/09/169254509.db2.gz WVWJTIADMDEYPZ-SNVBAGLBSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CCN(CCC2CCCC2)C1 88284537 169254533 /nfs/dbraw/zinc/25/45/33/169254533.db2.gz PPVDGMCPMDWEIX-LLVKDONJSA-N 1 0 182.311 1.600 20 0 ADADRO [NH3+][C@@H]1CCOC[C@@H]1Cc1ccccc1 82389459 169254638 /nfs/dbraw/zinc/25/46/38/169254638.db2.gz VLARPTBEFYVSHX-NWDGAFQWSA-N 1 0 191.274 1.593 20 0 ADADRO N[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)C1 49235711 169254709 /nfs/dbraw/zinc/25/47/09/169254709.db2.gz BESAWNUVWYAGKB-SNVBAGLBSA-N 1 0 180.295 1.208 20 0 ADADRO [NH3+][C@@H]1CCNc2cc(F)ccc21 68575573 169254730 /nfs/dbraw/zinc/25/47/30/169254730.db2.gz BDIIIYWBLXIJNO-MRVPVSSYSA-N 1 0 166.199 1.641 20 0 ADADRO [NH3+][C@@H]1CCN(c2ccccc2F)C1 33426877 169254746 /nfs/dbraw/zinc/25/47/46/169254746.db2.gz AYYDBSMIDLAYJS-MRVPVSSYSA-N 1 0 180.226 1.363 20 0 in-vitro ADADRO [NH3+][C@@H]1CCO[C@H](c2cccnc2)C1 69851063 169254778 /nfs/dbraw/zinc/25/47/78/169254778.db2.gz PNXJMZAFZYHREV-ZJUUUORDSA-N 1 0 178.235 1.260 20 0 ADADRO [NH3+][C@@H]1CCNc2ccc(F)cc21 68575594 169254865 /nfs/dbraw/zinc/25/48/65/169254865.db2.gz OUZKTKLMFNPUDK-MRVPVSSYSA-N 1 0 166.199 1.641 20 0 ADADRO [NH3+][C@@H]1CCN(CCc2cccs2)C1 37483469 169255059 /nfs/dbraw/zinc/25/50/59/169255059.db2.gz ABVBUKLZRFUILL-SECBINFHSA-N 1 0 196.319 1.324 20 0 ADADRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCCC2)C1 85009311 169255276 /nfs/dbraw/zinc/25/52/76/169255276.db2.gz WAHDPUARNKQMPS-VHSXEESVSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CC[C@](O)(c2ccccc2)C1 87653695 169255327 /nfs/dbraw/zinc/25/53/27/169255327.db2.gz CZIUGYRNEFEWJZ-GHMZBOCLSA-N 1 0 177.247 1.385 20 0 ADADRO [NH3+][C@@H]1CC[C@H]1C1CCC1 161660832 169255461 /nfs/dbraw/zinc/25/54/61/169255461.db2.gz FCDCYVAHYWSBAR-JGVFFNPUSA-N 1 0 125.215 1.524 20 0 in-vitro ADADRO [NH3+][C@@H]1CC[C@@H]2CCCC[C@H]21 25874270 169255662 /nfs/dbraw/zinc/25/56/62/169255662.db2.gz KIBSPXZZOYMHDY-DJLDLDEBSA-N 1 0 139.242 1.914 20 0 ADADRO [NH3+][C@@H]1CC[C@H]2CCCC[C@@H]12 25874277 169255776 /nfs/dbraw/zinc/25/57/76/169255776.db2.gz KIBSPXZZOYMHDY-IWSPIJDZSA-N 1 0 139.242 1.914 20 0 ADADRO [NH3+][C@@H]1CC[C@@H]1C1CCC1 161660944 169255939 /nfs/dbraw/zinc/25/59/39/169255939.db2.gz FCDCYVAHYWSBAR-HTQZYQBOSA-N 1 0 125.215 1.524 20 0 in-vitro ADADRO [NH3+][C@@H]1CC[C@@](O)(c2ccccc2)C1 87653694 169256021 /nfs/dbraw/zinc/25/60/21/169256021.db2.gz CZIUGYRNEFEWJZ-MNOVXSKESA-N 1 0 177.247 1.385 20 0 ADADRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCCC2)C1 85009310 169256197 /nfs/dbraw/zinc/25/61/97/169256197.db2.gz WAHDPUARNKQMPS-NXEZZACHSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@@H]1CCc2nc(C3CC3)ncc2C1 82390813 169256385 /nfs/dbraw/zinc/25/63/85/169256385.db2.gz MABGXVMPOOZBDP-SECBINFHSA-N 1 0 189.262 1.170 20 0 ADADRO [NH3+][C@@H]1CCc2cnccc21 25920364 169256656 /nfs/dbraw/zinc/25/66/56/169256656.db2.gz YNLBESQCEDPLSW-MRVPVSSYSA-N 1 0 134.182 1.028 20 0 ADADRO [NH3+][C@@H]1CCc2ccsc21 75527237 169257297 /nfs/dbraw/zinc/25/72/97/169257297.db2.gz WLFYIKNBDPEYTA-ZCFIWIBFSA-N 1 0 139.223 1.694 20 0 ADADRO [NH3+][C@@H]1CCc2ccsc2C1 82407237 169257813 /nfs/dbraw/zinc/25/78/13/169257813.db2.gz CJDJQGJRUDVZKL-SSDOTTSWSA-N 1 0 153.250 1.564 20 0 ADADRO [NH3+][C@@H]1C[C@H](C(F)(F)F)CCC1=O 98095889 169257980 /nfs/dbraw/zinc/25/79/80/169257980.db2.gz QKGKNYKKAGEAMO-RFZPGFLSSA-N 1 0 181.157 1.245 20 0 ADADRO [NH3+][C@@H]1C[C@@H](O)c2ccccc21 33992125 169258010 /nfs/dbraw/zinc/25/80/10/169258010.db2.gz PRVIGUZMXLBANS-RKDXNWHRSA-N 1 0 149.193 1.124 20 0 in-vitro ADADRO [NH3+][C@@H]1C[C@H](NCCF)c2ccccc21 306768524 169258027 /nfs/dbraw/zinc/25/80/27/169258027.db2.gz DRSZDORTIDYDMB-MNOVXSKESA-N 1 0 194.253 1.690 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccccc1F 50456612 169258153 /nfs/dbraw/zinc/25/81/53/169258153.db2.gz OOPHGOODDUXUOO-POYBYMJQSA-N 1 0 194.209 1.111 20 0 ADADRO [NH3+][C@@H]1C[C@@H](C(F)(F)F)CCC1=O 98095891 169258156 /nfs/dbraw/zinc/25/81/56/169258156.db2.gz QKGKNYKKAGEAMO-CRCLSJGQSA-N 1 0 181.157 1.245 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1 50456575 169258181 /nfs/dbraw/zinc/25/81/81/169258181.db2.gz NUODIQRJDJTUPM-DTWKUNHWSA-N 1 0 194.209 1.111 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1Cc1ccccc1 32156531 169258280 /nfs/dbraw/zinc/25/82/80/169258280.db2.gz YDILPQKPMIOWTJ-VHSXEESVSA-N 1 0 147.221 1.576 20 0 ADADRO [NH3+][C@@H]1C[C@@H](CO)c2ccccc21 96034420 169258291 /nfs/dbraw/zinc/25/82/91/169258291.db2.gz ZVIAYSDZXBSHLK-OIBJUYFYSA-N 1 0 163.220 1.166 20 0 in-vitro ADADRO [NH3+][C@@H]1C[C@@H]1c1nc(C2CCCC2)no1 335248417 169258323 /nfs/dbraw/zinc/25/83/23/169258323.db2.gz KIALKKBNPKLNGY-JGVFFNPUSA-N 1 0 193.250 1.542 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccsc1 334245423 169258342 /nfs/dbraw/zinc/25/83/42/169258342.db2.gz FSTALZPZXCXCJH-NKWVEPMBSA-N 1 0 182.248 1.034 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1c1nc(-c2ccco2)no1 335081491 169258498 /nfs/dbraw/zinc/25/84/98/169258498.db2.gz ZHSGTZNWRDSWBX-NTSWFWBYSA-N 1 0 191.190 1.144 20 0 ADADRO [NH3+][C@@H]1C[C@@H](NCCF)c2ccccc21 306768523 169258804 /nfs/dbraw/zinc/25/88/04/169258804.db2.gz DRSZDORTIDYDMB-GHMZBOCLSA-N 1 0 194.253 1.690 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCCCCC1 50458242 169258846 /nfs/dbraw/zinc/25/88/46/169258846.db2.gz IINXBUACIGBDKK-VHSXEESVSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1 50456521 169258877 /nfs/dbraw/zinc/25/88/77/169258877.db2.gz AKLQTMAAFYNYNE-DTWKUNHWSA-N 1 0 194.209 1.111 20 0 ADADRO [NH3+][C@@H]1C[C@@H]1C(=O)NCC1CCCCC1 50458454 169258927 /nfs/dbraw/zinc/25/89/27/169258927.db2.gz QRAJGCTZMMWIQN-VHSXEESVSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+][C@@H]1C[C@H]1Cc1ccccc1 32156537 169260207 /nfs/dbraw/zinc/26/02/07/169260207.db2.gz YDILPQKPMIOWTJ-NXEZZACHSA-N 1 0 147.221 1.576 20 0 ADADRO [NH3+][C@@H]1c2ccccc2C[C@H]1F 80026962 169260705 /nfs/dbraw/zinc/26/07/05/169260705.db2.gz MPZMJRRSNZFFKP-RKDXNWHRSA-N 1 0 151.184 1.581 20 0 ADADRO [NH3+][C@@H]1c2ccccc2C[C@@H]1F 80026958 169260806 /nfs/dbraw/zinc/26/08/06/169260806.db2.gz MPZMJRRSNZFFKP-DTWKUNHWSA-N 1 0 151.184 1.581 20 0 ADADRO [NH3+][C@@H]1[C@@H]2Cc3ccccc3[C@H]12 78210721 169261487 /nfs/dbraw/zinc/26/14/87/169261487.db2.gz MRQQKEOKFDVEEL-KXUCPTDWSA-N 1 0 145.205 1.283 20 0 in-vitro ADADRO [NH3+][C@H](C(=O)NC1CC1)C1CCCCC1 77296062 169262057 /nfs/dbraw/zinc/26/20/57/169262057.db2.gz MLIWRHQOBONJJD-JTQLQIEISA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@H](C(=O)N1CCCCC1)C1CCC1 306972260 169262370 /nfs/dbraw/zinc/26/23/70/169262370.db2.gz UEJYUXNAHFOYBK-JTQLQIEISA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@H](C(=O)NC1CCCC1)C1CCC1 306745595 169262860 /nfs/dbraw/zinc/26/28/60/169262860.db2.gz APZDWDBUQULDQK-JTQLQIEISA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@H](CF)c1ccc2c(c1)OCO2 20285923 169264598 /nfs/dbraw/zinc/26/45/98/169264598.db2.gz OPMHHCIMSYBWNI-SSDOTTSWSA-N 1 0 183.182 1.385 20 0 ADADRO [NH3+][C@H](CCO)c1ccc(Cl)cn1 83276795 169264614 /nfs/dbraw/zinc/26/46/14/169264614.db2.gz RYKKMPYHBHEINL-SSDOTTSWSA-N 1 0 186.642 1.117 20 0 ADADRO [NH3+][C@H](CCO)c1c[nH]c2ccccc12 71500748 169264833 /nfs/dbraw/zinc/26/48/33/169264833.db2.gz QDEFOEUEGBSZFU-SNVBAGLBSA-N 1 0 190.246 1.550 20 0 ADADRO [NH3+][C@H](CF)c1ccccc1F 20285900 169265075 /nfs/dbraw/zinc/26/50/75/169265075.db2.gz VWIAOZWPEBAVMJ-MRVPVSSYSA-N 1 0 157.163 1.795 20 0 ADADRO [NH3+][C@H](CF)c1ccc2c(c1)OCCO2 20285917 169265182 /nfs/dbraw/zinc/26/51/82/169265182.db2.gz BMYPPLZCPSWQBC-MRVPVSSYSA-N 1 0 197.209 1.427 20 0 ADADRO [NH3+][C@H](CCO)c1cccnc1Cl 95077215 169265811 /nfs/dbraw/zinc/26/58/11/169265811.db2.gz UBSVHMZWGPWGPE-SSDOTTSWSA-N 1 0 186.642 1.117 20 0 ADADRO [NH3+][C@H](CO)c1ccc2ncccc2c1 69050973 169266115 /nfs/dbraw/zinc/26/61/15/169266115.db2.gz KSUDWYDDYBJRHF-SNVBAGLBSA-N 1 0 188.230 1.227 20 0 ADADRO [NH3+][C@H](CO)c1ccc(O)cc1Cl 72197608 169266137 /nfs/dbraw/zinc/26/61/37/169266137.db2.gz YMYNFWFRFCTWEX-MRVPVSSYSA-N 1 0 187.626 1.038 20 0 ADADRO [NH3+][C@H](CO)c1cc2ccccc2o1 36949499 169266355 /nfs/dbraw/zinc/26/63/55/169266355.db2.gz RGPFVVNMRDRSNU-MRVPVSSYSA-N 1 0 177.203 1.425 20 0 ADADRO [NH3+][C@H](Cc1ccccc1)c1cnco1 90397751 169267667 /nfs/dbraw/zinc/26/76/67/169267667.db2.gz PWADVBXNGZNMGB-SNVBAGLBSA-N 1 0 188.230 1.917 20 0 ADADRO [NH3+][C@H](c1cccnc1)C1CCC1 83121462 169269101 /nfs/dbraw/zinc/26/91/01/169269101.db2.gz ARKRGKJRMBSXJK-JTQLQIEISA-N 1 0 162.236 1.882 20 0 ADADRO [NH3+][C@H](c1ccccc1)C1(CO)CCC1 238854637 169269200 /nfs/dbraw/zinc/26/92/00/169269200.db2.gz OQIOVDLNYHDZBT-LLVKDONJSA-N 1 0 191.274 1.849 20 0 in-vitro ADADRO [NH3+][C@H](c1ccccn1)C1CCC1 84329894 169269317 /nfs/dbraw/zinc/26/93/17/169269317.db2.gz FASZCMBNRAFLOT-JTQLQIEISA-N 1 0 162.236 1.882 20 0 ADADRO [NH3+][C@H](c1ccccn1)C1CCOCC1 68956965 169269730 /nfs/dbraw/zinc/26/97/30/169269730.db2.gz RAQZBBDKNHBWRW-NSHDSACASA-N 1 0 192.262 1.508 20 0 ADADRO [NH3+][C@H](c1cccnc1)c1ccccn1 37761804 169269839 /nfs/dbraw/zinc/26/98/39/169269839.db2.gz KBNVPYXMRGBMBD-LLVKDONJSA-N 1 0 185.230 1.525 20 0 ADADRO [NH3+][C@H](c1ccncc1)C1CCOCC1 68956980 169269907 /nfs/dbraw/zinc/26/99/07/169269907.db2.gz PHPCZKXXBSAOLF-LLVKDONJSA-N 1 0 192.262 1.508 20 0 ADADRO [NH3+][C@H](c1ccco1)C1CCOCC1 61672208 169270286 /nfs/dbraw/zinc/27/02/86/169270286.db2.gz HISLEKGKPCLRJO-JTQLQIEISA-N 1 0 181.235 1.706 20 0 ADADRO [NH3+][C@H](c1ccc(F)cc1)C1(O)CCC1 90411135 169270336 /nfs/dbraw/zinc/27/03/36/169270336.db2.gz JAQRAAODBNKKSG-SNVBAGLBSA-N 1 0 195.237 1.741 20 0 ADADRO [NH3+][C@H]1CC12Cc1ccccc1C2 52126274 169270479 /nfs/dbraw/zinc/27/04/79/169270479.db2.gz ITZQDSGDJHXPLH-JTQLQIEISA-N 1 0 159.232 1.503 20 0 ADADRO [NH3+][C@H]1CCC(=O)Nc2ccccc21 82398756 169270605 /nfs/dbraw/zinc/27/06/05/169270605.db2.gz LJJDPENCWGBJBN-QMMMGPOBSA-N 1 0 176.219 1.419 20 0 ADADRO [NH3+][C@H]1C=Cc2ccccc2O1 104562851 169270723 /nfs/dbraw/zinc/27/07/23/169270723.db2.gz ZGKVRYOUJKEBAL-SECBINFHSA-N 1 0 147.177 1.377 20 0 ADADRO [NH3+][C@H]1CC2(CCCC2)CCC1=O 98095896 169270953 /nfs/dbraw/zinc/27/09/53/169270953.db2.gz WCTYBCPOAXEIAL-QMMMGPOBSA-N 1 0 167.252 1.627 20 0 ADADRO [NH3+][C@H]1CCC(=O)Nc2ccsc21 82395216 169271204 /nfs/dbraw/zinc/27/12/04/169271204.db2.gz ZJUPBXDPJMHBDD-YFKPBYRVSA-N 1 0 182.248 1.480 20 0 ADADRO [NH3+][C@H]1CCC12CCC1(CC2)OCCO1 95831203 169271321 /nfs/dbraw/zinc/27/13/21/169271321.db2.gz DCZGNYWWMNFDIH-VIFPVBQESA-N 1 0 197.278 1.411 20 0 ADADRO [NH3+][C@H]1CC(=O)c2cc(F)c(F)cc21 95221064 169271413 /nfs/dbraw/zinc/27/14/13/169271413.db2.gz XNYIPDLHDWBKKF-QMMMGPOBSA-N 1 0 183.157 1.551 20 0 ADADRO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC1 307177931 169271736 /nfs/dbraw/zinc/27/17/36/169271736.db2.gz XUQNUBVQPOYQSB-WPRPVWTQSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@H]1CCCN(C(=O)CCC2CC2)C1 335620211 169271765 /nfs/dbraw/zinc/27/17/65/169271765.db2.gz XWOUSWUETANJDR-JTQLQIEISA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@H]1CCCC[C@H]1OC(F)F 158853554 169271790 /nfs/dbraw/zinc/27/17/90/169271790.db2.gz DOMHTRAXANSGMB-NTSWFWBYSA-N 1 0 165.183 1.496 20 0 ADADRO [NH3+][C@H]1CCCCC(F)(F)C1 88613728 169271903 /nfs/dbraw/zinc/27/19/03/169271903.db2.gz IGVISOHTYUJWKZ-LURJTMIESA-N 1 0 149.184 1.913 20 0 ADADRO [NH3+][C@H]1CCCCC[C@H]1F 88611419 169272030 /nfs/dbraw/zinc/27/20/30/169272030.db2.gz ZRWYGOIICXWZNW-RQJHMYQMSA-N 1 0 131.194 1.616 20 0 ADADRO [NH3+][C@H]1CCCN[C@@H]1c1cccs1 58520105 169272048 /nfs/dbraw/zinc/27/20/48/169272048.db2.gz RDIMCDMSCHXMSM-CBAPKCEASA-N 1 0 182.292 1.500 20 0 ADADRO [NH3+][C@H]1CCCN(CCC(F)(F)F)C1 70652233 169272073 /nfs/dbraw/zinc/27/20/73/169272073.db2.gz RQAOPYVEKLOQAN-ZETCQYMHSA-N 1 0 196.216 1.362 20 0 ADADRO [NH3+][C@H]1CCCCC[C@@H]1F 88611422 169272137 /nfs/dbraw/zinc/27/21/37/169272137.db2.gz ZRWYGOIICXWZNW-BQBZGAKWSA-N 1 0 131.194 1.616 20 0 ADADRO N[C@H]1CCC[N@H+](CC2CCCC2)C1 48733263 169272185 /nfs/dbraw/zinc/27/21/85/169272185.db2.gz AXIQFLQUYOOOCA-NSHDSACASA-N 1 0 182.311 1.600 20 0 ADADRO [NH3+][C@H]1CCCC[C@@](O)(C(F)(F)F)C1 95883825 169272235 /nfs/dbraw/zinc/27/22/35/169272235.db2.gz GFBLVSSSEZMQMK-BQBZGAKWSA-N 1 0 197.200 1.571 20 0 ADADRO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC1 307177928 169272295 /nfs/dbraw/zinc/27/22/95/169272295.db2.gz XUQNUBVQPOYQSB-SCZZXKLOSA-N 1 0 196.294 1.173 20 0 ADADRO [NH3+][C@H]1CCCN(Cc2ccco2)C1 38539969 169272405 /nfs/dbraw/zinc/27/24/05/169272405.db2.gz ZVSNKSHGHZVJJE-VIFPVBQESA-N 1 0 180.251 1.203 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LCASWUVMSDSOJJ-QMMMGPOBSA-N 1 0 197.307 1.066 20 0 ADADRO [NH3+][C@H]1CCCN(Cc2nccs2)C1 70585994 169272905 /nfs/dbraw/zinc/27/29/05/169272905.db2.gz UZNOWKCGYLVBQL-QMMMGPOBSA-N 1 0 197.307 1.066 20 0 ADADRO [NH3+][C@H]1CCCC[C@](O)(C(F)(F)F)C1 95883824 169272933 /nfs/dbraw/zinc/27/29/33/169272933.db2.gz GFBLVSSSEZMQMK-NKWVEPMBSA-N 1 0 197.200 1.571 20 0 ADADRO [NH3+][C@H]1CCCO[C@H]1c1ccncc1 238852690 169273072 /nfs/dbraw/zinc/27/30/72/169273072.db2.gz HCFJJELKYFVCQU-UWVGGRQHSA-N 1 0 178.235 1.260 20 0 ADADRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C2CC2)C1 211440015 169273105 /nfs/dbraw/zinc/27/31/05/169273105.db2.gz PMLKFJKGXOFZAP-SCZZXKLOSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+][C@H]1CCC[C@@H]1c1nc(C2CC2)no1 71001024 169273108 /nfs/dbraw/zinc/27/31/08/169273108.db2.gz XKNXWKVPZOJCBY-YUMQZZPRSA-N 1 0 193.250 1.542 20 0 ADADRO [NH3+][C@H]1CCC[C@H](CNC(=O)C2CC2)C1 211439951 169273218 /nfs/dbraw/zinc/27/32/18/169273218.db2.gz PMLKFJKGXOFZAP-WPRPVWTQSA-N 1 0 196.294 1.030 20 0 ADADRO 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87653693 169276149 /nfs/dbraw/zinc/27/61/49/169276149.db2.gz CZIUGYRNEFEWJZ-WDEREUQCSA-N 1 0 177.247 1.385 20 0 ADADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 85009306 169276339 /nfs/dbraw/zinc/27/63/39/169276339.db2.gz WAHDPUARNKQMPS-ZJUUUORDSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@H]1CC[C@H](C(=O)N2CCCCC2)C1 85009307 169276413 /nfs/dbraw/zinc/27/64/13/169276413.db2.gz WAHDPUARNKQMPS-UWVGGRQHSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@H]1C[C@@H](C(=O)N2CCCCCC2)C1 335388604 169276512 /nfs/dbraw/zinc/27/65/12/169276512.db2.gz WEQNQVREQDDZQP-AOOOYVTPSA-N 1 0 196.294 1.126 20 0 ADADRO [NH3+][C@H]1COc2c(F)cc(Cl)cc21 75882312 169276530 /nfs/dbraw/zinc/27/65/30/169276530.db2.gz SDCXEWPHOVYHGL-ZETCQYMHSA-N 1 0 187.601 1.871 20 0 ADADRO N[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 82909777 169276552 /nfs/dbraw/zinc/27/65/52/169276552.db2.gz WZZKKLWADRBBJA-ZJUUUORDSA-N 1 0 196.681 1.354 20 0 ADADRO [NH3+][C@H]1C[C@@H](C(=O)NCC2CCCC2)C1 335402021 169276558 /nfs/dbraw/zinc/27/65/58/169276558.db2.gz 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N[C@H]1COCC[C@H]1[NH2+]C1CCCCC1 91691180 169277034 /nfs/dbraw/zinc/27/70/34/169277034.db2.gz MLKNEUZNXACDJT-WDEREUQCSA-N 1 0 198.310 1.025 20 0 ADADRO N[C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 82909768 169277102 /nfs/dbraw/zinc/27/71/02/169277102.db2.gz YZDKIGULPZXELR-UWVGGRQHSA-N 1 0 196.681 1.354 20 0 ADADRO N[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 82909776 169277132 /nfs/dbraw/zinc/27/71/32/169277132.db2.gz WZZKKLWADRBBJA-UWVGGRQHSA-N 1 0 196.681 1.354 20 0 ADADRO [NH3+][C@H]1COc2c(Cl)cc(F)cc21 37901964 169277189 /nfs/dbraw/zinc/27/71/89/169277189.db2.gz ZQJFFJROHCIJGX-ZETCQYMHSA-N 1 0 187.601 1.871 20 0 ADADRO [NH3+][C@H]1CCc2ccsc21 75527233 169277212 /nfs/dbraw/zinc/27/72/12/169277212.db2.gz WLFYIKNBDPEYTA-LURJTMIESA-N 1 0 139.223 1.694 20 0 ADADRO [NH3+][C@H]1CCc2ccsc2C1 82407236 169277213 /nfs/dbraw/zinc/27/72/13/169277213.db2.gz CJDJQGJRUDVZKL-ZETCQYMHSA-N 1 0 153.250 1.564 20 0 ADADRO [NH3+][C@H]1COc2c(F)ccc(Cl)c21 75882321 169277261 /nfs/dbraw/zinc/27/72/61/169277261.db2.gz 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251411640 169278050 /nfs/dbraw/zinc/27/80/50/169278050.db2.gz RCJIJEPMHWIWEU-KVSKUHBBSA-N 1 0 111.188 1.134 20 0 ADADRO [NH3+][C@H]1C[C@@H](CO)c2ccccc21 96034418 169278055 /nfs/dbraw/zinc/27/80/55/169278055.db2.gz ZVIAYSDZXBSHLK-XVKPBYJWSA-N 1 0 163.220 1.166 20 0 in-vitro ADADRO [NH3+][C@H]1C[C@@H](C(F)(F)F)CCC1=O 98095892 169278078 /nfs/dbraw/zinc/27/80/78/169278078.db2.gz QKGKNYKKAGEAMO-WHFBIAKZSA-N 1 0 181.157 1.245 20 0 ADADRO [NH3+][C@H]1C[C@@H](c2cccnc2)C1 238570918 169278136 /nfs/dbraw/zinc/27/81/36/169278136.db2.gz IALRMXWFKHKPEX-KYZUINATSA-N 1 0 148.209 1.286 20 0 ADADRO [NH3+][C@H]1C[C@@H](O)c2ccccc21 33992126 169278207 /nfs/dbraw/zinc/27/82/07/169278207.db2.gz PRVIGUZMXLBANS-DTWKUNHWSA-N 1 0 149.193 1.124 20 0 ADADRO [NH3+][C@H]1C[C@H](C(F)(F)F)CCC1=O 98095890 169278214 /nfs/dbraw/zinc/27/82/14/169278214.db2.gz QKGKNYKKAGEAMO-UHNVWZDZSA-N 1 0 181.157 1.245 20 0 ADADRO [NH3+][C@H]1C[C@@H](COCc2ccccc2)C1 247749694 169278230 /nfs/dbraw/zinc/27/82/30/169278230.db2.gz RQAVITWHCIZOQW-TXEJJXNPSA-N 1 0 191.274 1.941 20 0 ADADRO [NH3+][C@H]1C[C@H](NCCF)c2ccccc21 306768525 169278403 /nfs/dbraw/zinc/27/84/03/169278403.db2.gz DRSZDORTIDYDMB-QWRGUYRKSA-N 1 0 194.253 1.690 20 0 ADADRO [NH3+][C@H]1C[C@@H]1Cc1ccccc1 32156535 169278553 /nfs/dbraw/zinc/27/85/53/169278553.db2.gz YDILPQKPMIOWTJ-UWVGGRQHSA-N 1 0 147.221 1.576 20 0 ADADRO [NH3+][C@H]1C[C@@H](NCCF)c2ccccc21 306768526 169278672 /nfs/dbraw/zinc/27/86/72/169278672.db2.gz DRSZDORTIDYDMB-WDEREUQCSA-N 1 0 194.253 1.690 20 0 ADADRO [NH3+][C@H]1C[C@H](CO)c2ccccc21 96034419 169278744 /nfs/dbraw/zinc/27/87/44/169278744.db2.gz ZVIAYSDZXBSHLK-XCBNKYQSSA-N 1 0 163.220 1.166 20 0 in-vitro ADADRO [NH3+][C@H]1C[C@H](O)c2ccccc21 33992124 169278755 /nfs/dbraw/zinc/27/87/55/169278755.db2.gz PRVIGUZMXLBANS-IUCAKERBSA-N 1 0 149.193 1.124 20 0 in-vitro ADADRO [NH3+][C@H]1C[C@H]1Cc1ccccc1 32156541 169280060 /nfs/dbraw/zinc/28/00/60/169280060.db2.gz YDILPQKPMIOWTJ-ZJUUUORDSA-N 1 0 147.221 1.576 20 0 ADADRO [NH3+][C@H]1c2ccccc2C[C@@H]1F 80026964 169280649 /nfs/dbraw/zinc/28/06/49/169280649.db2.gz MPZMJRRSNZFFKP-IUCAKERBSA-N 1 0 151.184 1.581 20 0 ADADRO [NH3+][C@H]1[C@@H]2CN(c3ccccc3)C[C@H]12 238856529 169280839 /nfs/dbraw/zinc/28/08/39/169280839.db2.gz WEFGOMSEHXLKAZ-URLYPYJESA-N 1 0 174.247 1.080 20 0 ADADRO Nc1cc(C[NH+]2CCCC2)ccn1 52709751 169285470 /nfs/dbraw/zinc/28/54/70/169285470.db2.gz KIOIQKXGPRGJRT-UHFFFAOYSA-N 1 0 177.251 1.260 20 0 ADADRO Nc1cc(N)[nH+]c(SCC2CC2)n1 41023941 169287888 /nfs/dbraw/zinc/28/78/88/169287888.db2.gz TVQRVGMEDQEHGM-UHFFFAOYSA-N 1 0 196.279 1.143 20 0 ADADRO Nc1cc(N)c2ccsc2[nH+]1 98179480 169287934 /nfs/dbraw/zinc/28/79/34/169287934.db2.gz VFMJSEQMKFZMSE-UHFFFAOYSA-N 1 0 165.221 1.461 20 0 ADADRO Nc1cc(OCC(F)(F)F)cc[nH+]1 95830117 169288085 /nfs/dbraw/zinc/28/80/85/169288085.db2.gz XUPWSJQUWPOAOZ-UHFFFAOYSA-N 1 0 192.140 1.605 20 0 ADADRO Nc1cc2ccncc2cc1F 82404895 169288685 /nfs/dbraw/zinc/28/86/85/169288685.db2.gz KOEULMXFHWRRDE-UHFFFAOYSA-N 1 0 162.167 1.956 20 0 ADADRO Nc1ccc(-c2c[nH+]ccc2N)cc1 91364401 169290442 /nfs/dbraw/zinc/29/04/42/169290442.db2.gz PWCTZLNLZFQZEO-UHFFFAOYSA-N 1 0 185.230 1.913 20 0 ADADRO Nc1ccc(C[NH+]2CCCCC2)nc1 86492523 169291742 /nfs/dbraw/zinc/29/17/42/169291742.db2.gz XRKUZJCXYPIYHT-UHFFFAOYSA-N 1 0 191.278 1.650 20 0 ADADRO Nc1ccc2c(c1)[C@@H]([NH3+])CC2 39048298 169294736 /nfs/dbraw/zinc/29/47/36/169294736.db2.gz ZYOXBKDMGPKLBH-VIFPVBQESA-N 1 0 148.209 1.215 20 0 ADADRO Nc1ccc2c(c1)[C@H]([NH3+])CC2 39048296 169295100 /nfs/dbraw/zinc/29/51/00/169295100.db2.gz ZYOXBKDMGPKLBH-SECBINFHSA-N 1 0 148.209 1.215 20 0 ADADRO Nc1cccc(CC2CC[NH2+]CC2)c1 23508895 169296363 /nfs/dbraw/zinc/29/63/63/169296363.db2.gz NWFKQZYOVDGMHF-UHFFFAOYSA-N 1 0 190.290 1.811 20 0 ADADRO Nc1cccc(C[NH2+]CC2CC2)c1 40409438 169296666 /nfs/dbraw/zinc/29/66/66/169296666.db2.gz PTVSDHYMEVPMBK-UHFFFAOYSA-N 1 0 176.263 1.768 20 0 ADADRO Nc1ccccc1CC1CC[NH2+]CC1 23508906 169298602 /nfs/dbraw/zinc/29/86/02/169298602.db2.gz DHLKHXPSPGPAKJ-UHFFFAOYSA-N 1 0 190.290 1.811 20 0 ADADRO Nc1cc[nH+]cc1OC1CC1 95722827 169300621 /nfs/dbraw/zinc/30/06/21/169300621.db2.gz SGTNXFMXSCGHBW-UHFFFAOYSA-N 1 0 150.181 1.205 20 0 ADADRO Nc1cc[nH+]c2c(N)cccc12 39117965 169301107 /nfs/dbraw/zinc/30/11/07/169301107.db2.gz VNIYSXOHLPIAID-UHFFFAOYSA-N 1 0 159.192 1.399 20 0 ADADRO Nc1cc[nH+]cc1-c1cncnc1 69841130 169301228 /nfs/dbraw/zinc/30/12/28/169301228.db2.gz XPPVDNNUVZJFQC-UHFFFAOYSA-N 1 0 172.191 1.121 20 0 ADADRO Nc1c[nH+]c2cc(F)ccn12 238601978 169301332 /nfs/dbraw/zinc/30/13/32/169301332.db2.gz JVFHQGDSOAUURW-UHFFFAOYSA-N 1 0 151.144 1.056 20 0 ADADRO Nc1c[nH+]c2ccc(F)cc2c1N 39038658 169301716 /nfs/dbraw/zinc/30/17/16/169301716.db2.gz WHMDPEGCPIEIEV-UHFFFAOYSA-N 1 0 177.182 1.538 20 0 ADADRO Nc1c[nH+]c2cccc(F)n12 238602489 169301933 /nfs/dbraw/zinc/30/19/33/169301933.db2.gz LHBQTBHRIUZCPX-UHFFFAOYSA-N 1 0 151.144 1.056 20 0 ADADRO Nc1c[nH+]c2cc(Cl)ccn12 74376988 169301976 /nfs/dbraw/zinc/30/19/76/169301976.db2.gz JGKGEDPMBBNTTH-UHFFFAOYSA-N 1 0 167.599 1.570 20 0 ADADRO Nc1c[nH+]c2cccc(Cl)n12 74375550 169302068 /nfs/dbraw/zinc/30/20/68/169302068.db2.gz GZCYCHUEQLIRSY-UHFFFAOYSA-N 1 0 167.599 1.570 20 0 ADADRO Nc1ncc(C[NH+]2CCCC2)s1 58083052 169307542 /nfs/dbraw/zinc/30/75/42/169307542.db2.gz AXVXYANHVHKIQZ-UHFFFAOYSA-N 1 0 183.280 1.321 20 0 ADADRO Nc1[nH]cc(CCc2ccccc2)[nH+]1 96271637 169307575 /nfs/dbraw/zinc/30/75/75/169307575.db2.gz JWSUUOBMJYGKOD-UHFFFAOYSA-N 1 0 187.246 1.777 20 0 ADADRO Nc1nc(NC2CCCC2)cc[nH+]1 83146444 169308573 /nfs/dbraw/zinc/30/85/73/169308573.db2.gz PGLPLLCHSFTVAM-UHFFFAOYSA-N 1 0 178.239 1.413 20 0 ADADRO Nc1[nH+]ccc2c1NCCC2 24625739 169308867 /nfs/dbraw/zinc/30/88/67/169308867.db2.gz SZDVIJJBAQAYND-UHFFFAOYSA-N 1 0 149.197 1.022 20 0 ADADRO Nc1ncccc1CN1CC[C@H](F)C1 336263128 169308944 /nfs/dbraw/zinc/30/89/44/169308944.db2.gz SRCOKDDNFOPTTP-VIFPVBQESA-N 1 0 195.241 1.208 20 0 ADADRO NC1=[NH+]CC(=S)S1 91301656 169309091 /nfs/dbraw/zinc/30/90/91/169309091.db2.gz XGHDXIZGBCLSRG-UHFFFAOYSA-N 1 0 132.213 1.014 20 0 ADADRO Nc1ncccc1C[NH+]1CCCC1 52709741 169309149 /nfs/dbraw/zinc/30/91/49/169309149.db2.gz PPBNPLFKUOVAEE-UHFFFAOYSA-N 1 0 177.251 1.260 20 0 ADADRO Nc1ncccc1CN1CC[C@@H](F)C1 336263127 169309332 /nfs/dbraw/zinc/30/93/32/169309332.db2.gz SRCOKDDNFOPTTP-SECBINFHSA-N 1 0 195.241 1.208 20 0 ADADRO Nc1[nH+]ccn1Cc1cccs1 37483187 169309585 /nfs/dbraw/zinc/30/95/85/169309585.db2.gz OWSMNKCQDQUCLD-UHFFFAOYSA-N 1 0 179.248 1.575 20 0 ADADRO Nc1[nH+]ccn1CCc1ccccc1 37483186 169309914 /nfs/dbraw/zinc/30/99/14/169309914.db2.gz ZMOBDNRKDFRVDZ-UHFFFAOYSA-N 1 0 187.246 1.708 20 0 ADADRO Nc1[nH+]ccn1Cc1ccsc1 37483195 169310036 /nfs/dbraw/zinc/31/00/36/169310036.db2.gz CDWGGZRYPUFLEW-UHFFFAOYSA-N 1 0 179.248 1.575 20 0 ADADRO Nc1[nH+]ccn1Cc1ccc(O)cc1 27877012 169310411 /nfs/dbraw/zinc/31/04/11/169310411.db2.gz LUIPDSMHTCPAAI-UHFFFAOYSA-N 1 0 189.218 1.219 20 0 ADADRO O=C(CC1CC1)NC[C@H]1CCCC[NH2+]1 49905652 169316842 /nfs/dbraw/zinc/31/68/42/169316842.db2.gz HTFBTKROYHWEGL-SNVBAGLBSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(CC1CC1)NCCC[NH2+]C1CC1 49731451 169317237 /nfs/dbraw/zinc/31/72/37/169317237.db2.gz HNZCSPDZWRFUOS-UHFFFAOYSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(CC1CCC1)N[C@@H]1CCC[NH2+]C1 226177209 169317370 /nfs/dbraw/zinc/31/73/70/169317370.db2.gz KITNITSNDKBDRA-SNVBAGLBSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(CC1CC1)NC[C@@H]1CCCC[NH2+]1 49905651 169317533 /nfs/dbraw/zinc/31/75/33/169317533.db2.gz HTFBTKROYHWEGL-JTQLQIEISA-N 1 0 196.294 1.045 20 0 ADADRO O=C(CC1CCC1)N[C@H]1CCC[NH2+]C1 226177213 169317975 /nfs/dbraw/zinc/31/79/75/169317975.db2.gz KITNITSNDKBDRA-JTQLQIEISA-N 1 0 196.294 1.045 20 0 ADADRO O=C(CC1CCCC1)N[C@H]1CC[NH2+]C1 37865231 169318551 /nfs/dbraw/zinc/31/85/51/169318551.db2.gz SHLWRDFXSKOKHW-JTQLQIEISA-N 1 0 196.294 1.045 20 0 ADADRO O=C(CC1CCCC1)N[C@@H]1CC[NH2+]C1 37865230 169318668 /nfs/dbraw/zinc/31/86/68/169318668.db2.gz SHLWRDFXSKOKHW-SNVBAGLBSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(C[NH+]1CCCC1)N1CCCCC1 41362240 169320351 /nfs/dbraw/zinc/32/03/51/169320351.db2.gz UMUFEYHCLQZAAY-UHFFFAOYSA-N 1 0 196.294 1.095 20 0 ADADRO O=C(C[NH2+]CC1CC1)NC1CCCC1 20037657 169320557 /nfs/dbraw/zinc/32/05/57/169320557.db2.gz JDEHVVCYTAFZHA-UHFFFAOYSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(C[NH2+]C1CCCCC1)NC1CC1 20035628 169320667 /nfs/dbraw/zinc/32/06/67/169320667.db2.gz JBQJBKFQUAYBCT-UHFFFAOYSA-N 1 0 196.294 1.187 20 0 ADADRO O=C(C[NH+]1CCCCC1)N1CCCC1 41362317 169320741 /nfs/dbraw/zinc/32/07/41/169320741.db2.gz OQRHMKHLABTPED-UHFFFAOYSA-N 1 0 196.294 1.095 20 0 ADADRO O=C(C[NH2+]C1CCCC1)NCC1CC1 20037044 169320790 /nfs/dbraw/zinc/32/07/90/169320790.db2.gz UEESUXMQBQRKCC-UHFFFAOYSA-N 1 0 196.294 1.045 20 0 ADADRO O=C(C[NH+]1CCCCCC1)N1CCC1 336320579 169320871 /nfs/dbraw/zinc/32/08/71/169320871.db2.gz RBNXNBDDKRSRRZ-UHFFFAOYSA-N 1 0 196.294 1.095 20 0 ADADRO O=C(C[NH+]1CCCCCC1)NC1CC1 14194717 169321125 /nfs/dbraw/zinc/32/11/25/169321125.db2.gz XWAHFPNDRMODQB-UHFFFAOYSA-N 1 0 196.294 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c1cnc2c(c1)C[NH2+]CCC2 23670964 171042647 /nfs/dbraw/zinc/04/26/47/171042647.db2.gz VVDHIRGUDDNSAN-UHFFFAOYSA-N 1 0 148.209 1.117 20 0 in-vitro ADADRO c1ccc([C@@H]2CC[NH2+]2)nc1 23894338 171042892 /nfs/dbraw/zinc/04/28/92/171042892.db2.gz HJZDRJCJLHAPQR-QMMMGPOBSA-N 1 0 134.182 1.116 20 0 ADADRO c1c[nH]c(C[NH2+]C2CCCC2)n1 22861507 171043350 /nfs/dbraw/zinc/04/33/50/171043350.db2.gz CXLMITFNVKAHEM-UHFFFAOYSA-N 1 0 165.240 1.442 20 0 ADADRO COc1ccccc1C[C@H]([NH3+])C1CC1 38129583 171043968 /nfs/dbraw/zinc/04/39/68/171043968.db2.gz LRWUCDGTNOCISI-NSHDSACASA-N 1 0 191.274 1.975 20 0 ADADRO COc1ccccc1C[C@@H]([NH3+])C1CC1 38129584 171044029 /nfs/dbraw/zinc/04/40/29/171044029.db2.gz LRWUCDGTNOCISI-LLVKDONJSA-N 1 0 191.274 1.975 20 0 ADADRO c1cncc(CC[NH+]2CCCC2)c1 29130349 171047382 /nfs/dbraw/zinc/04/73/82/171047382.db2.gz YWULZWMGJASRBS-UHFFFAOYSA-N 1 0 176.263 1.720 20 0 ADADRO Oc1cccc([C@H]2CC[NH2+]C2)c1 29240717 171047645 /nfs/dbraw/zinc/04/76/45/171047645.db2.gz BSVULIRVFCFZPE-VIFPVBQESA-N 1 0 163.220 1.469 20 0 ADADRO Oc1cccc([C@@H]2CC[NH2+]C2)c1 29240709 171047889 /nfs/dbraw/zinc/04/78/89/171047889.db2.gz BSVULIRVFCFZPE-SECBINFHSA-N 1 0 163.220 1.469 20 0 ADADRO CC[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 334140959 171048998 /nfs/dbraw/zinc/04/89/98/171048998.db2.gz ITDYZOAHXWUACB-GHMZBOCLSA-N 1 0 183.295 1.755 20 0 ADADRO C[C@@H]1CC(C)(C)O[C@H](C)[NH2+]1 32302122 171051009 /nfs/dbraw/zinc/05/10/09/171051009.db2.gz IQNOEDWQOFXIRN-RNFRBKRXSA-N 1 0 143.230 1.509 20 0 ADADRO Oc1cccc(C2=CC[NH2+]CC2)c1 33487564 171051303 /nfs/dbraw/zinc/05/13/03/171051303.db2.gz CSWCYWCNWFSXPM-UHFFFAOYSA-N 1 0 175.231 1.769 20 0 ADADRO [NH3+]CC1(c2cccs2)CC1 33487072 171051720 /nfs/dbraw/zinc/05/17/20/171051720.db2.gz ZDLQKYNEHHPKBK-UHFFFAOYSA-N 1 0 153.250 1.738 20 0 ADADRO CCCC(=[NH2+])OC 33986572 171051961 /nfs/dbraw/zinc/05/19/61/171051961.db2.gz XWHAHDIDRLUSHB-UHFFFAOYSA-N 1 0 101.149 1.410 20 0 ADADRO [NH3+]CC(F)=C(F)F 34226473 171053610 /nfs/dbraw/zinc/05/36/10/171053610.db2.gz CHVKLKUPEXDEJH-UHFFFAOYSA-N 1 0 111.066 1.023 20 0 ADADRO c1ccc(C23C[NH2+]CC(C2)C3)cc1 34382223 171054535 /nfs/dbraw/zinc/05/45/35/171054535.db2.gz JQJOUVXGSRZAEU-UHFFFAOYSA-N 1 0 173.259 1.938 20 0 ADADRO CCCN(CCC)C(=O)C[NH2+]CC 34467215 171055703 /nfs/dbraw/zinc/05/57/03/171055703.db2.gz XCMMOUMCVCIZQD-UHFFFAOYSA-N 1 0 186.299 1.245 20 0 ADADRO C[C@H]1CC(N)=[NH+]N1Cc1ccccc1 34767099 171057174 /nfs/dbraw/zinc/05/71/74/171057174.db2.gz ZBWPNHVAEQZZBA-VIFPVBQESA-N 1 0 189.262 1.553 20 0 in-vitro ADADRO C[C@@H]1CC(N)=[NH+]N1Cc1ccccc1 34767097 171057605 /nfs/dbraw/zinc/05/76/05/171057605.db2.gz ZBWPNHVAEQZZBA-SECBINFHSA-N 1 0 189.262 1.553 20 0 in-vitro ADADRO COc1ccccc1C[NH2+][C@H](C)CO 35603759 171058769 /nfs/dbraw/zinc/05/87/69/171058769.db2.gz VKDVUCIVYWSYBE-SECBINFHSA-N 1 0 195.262 1.166 20 0 ADADRO COc1ccccc1C[NH2+][C@@H](C)CO 35603756 171058999 /nfs/dbraw/zinc/05/89/99/171058999.db2.gz VKDVUCIVYWSYBE-VIFPVBQESA-N 1 0 195.262 1.166 20 0 ADADRO Cc1ccccc1C[NH2+][C@@H](C)CO 35603742 171059142 /nfs/dbraw/zinc/05/91/42/171059142.db2.gz MFMMRARRKBDOKU-JTQLQIEISA-N 1 0 179.263 1.465 20 0 ADADRO Cc1ccccc1C[NH2+][C@H](C)CO 35603744 171059186 /nfs/dbraw/zinc/05/91/86/171059186.db2.gz MFMMRARRKBDOKU-SNVBAGLBSA-N 1 0 179.263 1.465 20 0 ADADRO Cn1nccc1C[NH2+]C(C)(C)C 36901021 171061978 /nfs/dbraw/zinc/06/19/78/171061978.db2.gz LWEFOQXNUMIWBH-UHFFFAOYSA-N 1 0 167.256 1.308 20 0 ADADRO COc1ccccc1C1CC([NH3+])C1 36840685 171062238 /nfs/dbraw/zinc/06/22/38/171062238.db2.gz KEDICAZZBORDJM-UHFFFAOYSA-N 1 0 177.247 1.900 20 0 in-vitro ADADRO CC(C)c1ccnc(CC[NH3+])n1 70951704 171063140 /nfs/dbraw/zinc/06/31/40/171063140.db2.gz FIEPBHIGEHUGNB-UHFFFAOYSA-N 1 0 165.240 1.101 20 0 ADADRO c1ccc(CC[NH2+]CC2CC2)nc1 37118297 171063225 /nfs/dbraw/zinc/06/32/25/171063225.db2.gz GNBDUGVANNAGBR-UHFFFAOYSA-N 1 0 176.263 1.624 20 0 ADADRO C[NH+]1CCC(Nc2ccccn2)CC1 37248230 171063383 /nfs/dbraw/zinc/06/33/83/171063383.db2.gz YJMATINPVPTJAV-UHFFFAOYSA-N 1 0 191.278 1.588 20 0 ADADRO c1cncc(CC[NH2+][C@@H]2CCOC2)c1 70967503 171063786 /nfs/dbraw/zinc/06/37/86/171063786.db2.gz AYIIWRYSFGWZLM-LLVKDONJSA-N 1 0 192.262 1.003 20 0 ADADRO c1cncc(CC[NH2+][C@H]2CCOC2)c1 70967506 171064409 /nfs/dbraw/zinc/06/44/09/171064409.db2.gz AYIIWRYSFGWZLM-NSHDSACASA-N 1 0 192.262 1.003 20 0 ADADRO [NH3+]C1(c2ncc[nH]2)CCCC1 37479660 171064661 /nfs/dbraw/zinc/06/46/61/171064661.db2.gz YXGADAWJFSBOAJ-UHFFFAOYSA-N 1 0 151.213 1.138 20 0 ADADRO Cc1ccccc1Cn1cc[nH+]c1N 37483179 171065088 /nfs/dbraw/zinc/06/50/88/171065088.db2.gz ZXKJCNXCDWFZPI-UHFFFAOYSA-N 1 0 187.246 1.822 20 0 ADADRO OC1(C[NH2+]C2CC2)CCCCC1 37871896 171066080 /nfs/dbraw/zinc/06/60/80/171066080.db2.gz ACWUJTYYDBJOHA-UHFFFAOYSA-N 1 0 169.268 1.434 20 0 ADADRO OC1(C[NH2+]CC2CC2)CCCCC1 37873463 171066185 /nfs/dbraw/zinc/06/61/85/171066185.db2.gz SDDRBFLKQBBXLQ-UHFFFAOYSA-N 1 0 183.295 1.681 20 0 ADADRO Cc1ccccc1C[NH2+]CC(C)(C)O 37871753 171066530 /nfs/dbraw/zinc/06/65/30/171066530.db2.gz DAMKPFFXLMHTRN-UHFFFAOYSA-N 1 0 193.290 1.856 20 0 ADADRO CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 38049670 171067769 /nfs/dbraw/zinc/06/77/69/171067769.db2.gz LJEFDBMCHQJILB-NXEZZACHSA-N 1 0 196.294 1.339 20 0 ADADRO Cc1ccccc1CCN(C)CC[NH3+] 77277388 171068411 /nfs/dbraw/zinc/06/84/11/171068411.db2.gz IFILBSVQRXIMMZ-UHFFFAOYSA-N 1 0 192.306 1.428 20 0 ADADRO c1ccc(CN2CC[NH2+]C2)cc1 38363034 171069329 /nfs/dbraw/zinc/06/93/29/171069329.db2.gz JXOLTCZDUFJFRL-UHFFFAOYSA-N 1 0 162.236 1.049 20 0 ADADRO COc1ccc(NC[C@H](C)[NH3+])cc1 39090023 171074670 /nfs/dbraw/zinc/07/46/70/171074670.db2.gz BSYPFMFKYAMTDV-QMMMGPOBSA-N 1 0 180.251 1.454 20 0 ADADRO COc1ccc(NC[C@@H](C)[NH3+])cc1 39090022 171074780 /nfs/dbraw/zinc/07/47/80/171074780.db2.gz BSYPFMFKYAMTDV-MRVPVSSYSA-N 1 0 180.251 1.454 20 0 ADADRO CC(C)c1cccc(C(N)=[NH2+])n1 39103855 171074988 /nfs/dbraw/zinc/07/49/88/171074988.db2.gz FUSOHTYYGLQNPH-UHFFFAOYSA-N 1 0 163.224 1.489 20 0 ADADRO O=C(OC1CCCC1)[C@@H]1CCC[NH2+]1 40429957 171080351 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82638349 171086250 /nfs/dbraw/zinc/08/62/50/171086250.db2.gz RADLECCKINOBLU-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO c1c[nH]c(C[NH2+]C[C@@H]2CCCCO2)n1 42817989 171086546 /nfs/dbraw/zinc/08/65/46/171086546.db2.gz KIRHGRYKFCGSDM-VIFPVBQESA-N 1 0 195.266 1.068 20 0 ADADRO CC[NH+](CC)[C@@H](C)[C@@H](C)O 44116058 171088744 /nfs/dbraw/zinc/08/87/44/171088744.db2.gz LFNHOHDLQKUVEY-JGVFFNPUSA-N 1 0 145.246 1.098 20 0 ADADRO CC[NH+](CC)[C@@H](C)[C@H](C)O 44116063 171089241 /nfs/dbraw/zinc/08/92/41/171089241.db2.gz LFNHOHDLQKUVEY-YUMQZZPRSA-N 1 0 145.246 1.098 20 0 ADADRO CC(C)=CC(=O)N1CCC[C@@H](C[NH3+])C1 44528659 171090320 /nfs/dbraw/zinc/09/03/20/171090320.db2.gz XFQVYKJEPKECQV-JTQLQIEISA-N 1 0 196.294 1.150 20 0 ADADRO CC(C)=CC(=O)NC[C@@H]1CCCC[NH2+]1 44492159 171090402 /nfs/dbraw/zinc/09/04/02/171090402.db2.gz XFYBDHKDKKZVEN-JTQLQIEISA-N 1 0 196.294 1.211 20 0 ADADRO CC(C)=CC(=O)NC[C@H]1CCC[NH2+]C1 44501900 171090484 /nfs/dbraw/zinc/09/04/84/171090484.db2.gz MYKXCNKOJKKEKR-JTQLQIEISA-N 1 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CC[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 126679017 171130944 /nfs/dbraw/zinc/13/09/44/171130944.db2.gz UNGZPJXHJUOFOU-SECBINFHSA-N 1 0 198.310 1.230 20 0 ADADRO C[C@H]1CC[C@@H](C)[N@H+](CCN)C1 84045046 171131540 /nfs/dbraw/zinc/13/15/40/171131540.db2.gz JBLDWYZIFBZKGQ-DTWKUNHWSA-N 1 0 156.273 1.066 20 0 in-vitro ADADRO [NH3+]C1(c2ccccn2)CCOCC1 84334039 171131763 /nfs/dbraw/zinc/13/17/63/171131763.db2.gz XNDKSPXHHHFNEA-UHFFFAOYSA-N 1 0 178.235 1.046 20 0 ADADRO C[C@H]1CC[C@@H](C)C[N@H+]1CCN 84045031 171131809 /nfs/dbraw/zinc/13/18/09/171131809.db2.gz JBLDWYZIFBZKGQ-BDAKNGLRSA-N 1 0 156.273 1.066 20 0 in-vitro ADADRO CCO/C=C/C[NH+](C)C 89157611 171132923 /nfs/dbraw/zinc/13/29/23/171132923.db2.gz DKEUVYLDGMMDOH-FNORWQNLSA-N 1 0 129.203 1.098 20 0 ADADRO CCOC(=O)C[C@@H]([NH3+])C1CCC1 87585531 171132965 /nfs/dbraw/zinc/13/29/65/171132965.db2.gz RCGDVEORAYFUJE-MRVPVSSYSA-N 1 0 171.240 1.067 20 0 ADADRO [NH3+]Cc1ccc2c(c1)C(=O)CC2 87493240 171133251 /nfs/dbraw/zinc/13/32/51/171133251.db2.gz 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/nfs/dbraw/zinc/15/29/12/171152912.db2.gz COKFTONFYILDAL-SECBINFHSA-N 1 0 186.299 1.230 20 0 ADADRO CC[C@@H](C)C(=O)N1CCCC[C@H]1C[NH3+] 44541283 171152941 /nfs/dbraw/zinc/15/29/41/171152941.db2.gz XVDAAWYALLPJEP-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] 44541279 171152960 /nfs/dbraw/zinc/15/29/60/171152960.db2.gz XVDAAWYALLPJEP-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)N(C)C(=O)C1(C[NH3+])CCCC1 44761592 171152969 /nfs/dbraw/zinc/15/29/69/171152969.db2.gz SFJIRHVHQZTWSY-UHFFFAOYSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)CC(=O)N1CCCC[C@H]1C[NH3+] 44541130 171153055 /nfs/dbraw/zinc/15/30/55/171153055.db2.gz NAORPUNENBYWRE-JTQLQIEISA-N 1 0 198.310 1.372 20 0 ADADRO [NH3+]CC1(C(=O)NCC2CC2)CCCC1 44761577 171153109 /nfs/dbraw/zinc/15/31/09/171153109.db2.gz KHKGHVWOBLLGCB-UHFFFAOYSA-N 1 0 196.294 1.032 20 0 ADADRO CN(C)c1ncc(C[NH2+]C2CC2)s1 48400262 171153788 /nfs/dbraw/zinc/15/37/88/171153788.db2.gz DKTUXXPIGGUZFX-UHFFFAOYSA-N 1 0 197.307 1.461 20 0 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F[C@@H]1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 306181444 171156762 /nfs/dbraw/zinc/15/67/62/171156762.db2.gz UUMUTIKAZYOMJW-ZJUUUORDSA-N 1 0 182.242 1.995 20 0 ADADRO Fc1ccc(C[NH+]2CCCC2)nc1 306195990 171156939 /nfs/dbraw/zinc/15/69/39/171156939.db2.gz BRJBYFDDEDKSHE-UHFFFAOYSA-N 1 0 180.226 1.817 20 0 ADADRO CCC1(C(=O)N[C@@H]2CC[NH2+]C2)CCC1 306284612 171157255 /nfs/dbraw/zinc/15/72/55/171157255.db2.gz DFFMSXRGAGHHBU-SECBINFHSA-N 1 0 196.294 1.045 20 0 ADADRO CCC1(C(=O)N[C@H]2CC[NH2+]C2)CCC1 306284613 171157636 /nfs/dbraw/zinc/15/76/36/171157636.db2.gz DFFMSXRGAGHHBU-VIFPVBQESA-N 1 0 196.294 1.045 20 0 ADADRO CCC1(C(=O)N2CC[C@@H]([NH3+])C2)CCC1 306438037 171157790 /nfs/dbraw/zinc/15/77/90/171157790.db2.gz HZOUTEQUJLVZGK-SECBINFHSA-N 1 0 196.294 1.126 20 0 ADADRO CCC1(C(=O)N2CC[C@H]([NH3+])C2)CCC1 306438038 171157842 /nfs/dbraw/zinc/15/78/42/171157842.db2.gz HZOUTEQUJLVZGK-VIFPVBQESA-N 1 0 196.294 1.126 20 0 ADADRO c1cc(C[NH+]2CCCCC2)on1 306509847 171157854 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171164759 /nfs/dbraw/zinc/16/47/59/171164759.db2.gz ZHSYBKSIAUNTHG-SECBINFHSA-N 1 0 186.299 1.100 20 0 ADADRO CC[C@@H](C)C(=O)N1CCC[C@H]([NH2+]C)C1 53202529 171164866 /nfs/dbraw/zinc/16/48/66/171164866.db2.gz MCQOIQZWDIHCGS-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C)C1 53202531 171165018 /nfs/dbraw/zinc/16/50/18/171165018.db2.gz MCQOIQZWDIHCGS-NXEZZACHSA-N 1 0 198.310 1.243 20 0 ADADRO Cc1ccccc1NC(=O)C[C@H](C)[NH3+] 37475996 171165393 /nfs/dbraw/zinc/16/53/93/171165393.db2.gz VNNJWCOVHOOUIH-VIFPVBQESA-N 1 0 192.262 1.671 20 0 ADADRO Cc1ccccc1NC(=O)C[C@@H](C)[NH3+] 37475995 171165454 /nfs/dbraw/zinc/16/54/54/171165454.db2.gz VNNJWCOVHOOUIH-SECBINFHSA-N 1 0 192.262 1.671 20 0 ADADRO [NH3+]C1(C(=O)N2CCCCC2)CCCC1 37479409 171165462 /nfs/dbraw/zinc/16/54/62/171165462.db2.gz ZVQOJDGAWAUUBJ-UHFFFAOYSA-N 1 0 196.294 1.270 20 0 ADADRO CN1CCC([NH2+]CC2CCCC2)CC1 37258214 171165626 /nfs/dbraw/zinc/16/56/26/171165626.db2.gz MEGFSOJBRPYLAQ-UHFFFAOYSA-N 1 0 196.338 1.860 20 0 ADADRO CC(C)N(C(=O)[C@H](C)[NH3+])C1CCCC1 335607803 171165852 /nfs/dbraw/zinc/16/58/52/171165852.db2.gz HDVVQGISTPDQHQ-VIFPVBQESA-N 1 0 198.310 1.513 20 0 ADADRO C[C@H]1CC[C@@H](C)N1C(=O)CCC[NH3+] 335608026 171166167 /nfs/dbraw/zinc/16/61/67/171166167.db2.gz WLMFHBUQRGLLMD-DTORHVGOSA-N 1 0 184.283 1.125 20 0 ADADRO CO[C@@H](C)C[NH2+]C1CCCCC1 53550313 171166575 /nfs/dbraw/zinc/16/65/75/171166575.db2.gz OHFVWXDUALUVQS-VIFPVBQESA-N 1 0 171.284 1.944 20 0 ADADRO [NH3+]CCC(=O)N1CCC[C@@H]1C1CCC1 308866064 171166637 /nfs/dbraw/zinc/16/66/37/171166637.db2.gz WVSCMRRWJFEETC-SNVBAGLBSA-N 1 0 196.294 1.126 20 0 ADADRO CC(C)N(C)C(=O)C[NH+]1CCCCC1 308477211 171166646 /nfs/dbraw/zinc/16/66/46/171166646.db2.gz FFFWWCMHXVGIQD-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO [NH3+]CCC(=O)N1CCC[C@H]1C1CCC1 308865750 171166717 /nfs/dbraw/zinc/16/67/17/171166717.db2.gz WVSCMRRWJFEETC-JTQLQIEISA-N 1 0 196.294 1.126 20 0 ADADRO CC[C@@H](C)C(=O)N1CC[C@@](C)(C[NH3+])C1 308469025 171166759 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DRNATYWIHGXDCJ-OPRDCNLKSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC12CC2 527849988 325652028 /nfs/dbraw/zinc/65/20/28/325652028.db2.gz JREJRWCZNXVLBD-HLTSFMKQSA-N 1 0 169.268 1.145 20 0 ADADRO C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CC12CC2 527860309 325652112 /nfs/dbraw/zinc/65/21/12/325652112.db2.gz JOHGZJSAFNUPJE-VHSXEESVSA-N 1 0 195.306 1.680 20 0 ADADRO C[C@H]([NH2+]C1CCOCC1)[C@H]1CC12CC2 527848503 325652158 /nfs/dbraw/zinc/65/21/58/325652158.db2.gz KGPNFOZDCUJUNG-GXSJLCMTSA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CC12CC2 527843185 325652159 /nfs/dbraw/zinc/65/21/59/325652159.db2.gz CRAGQWHUCWNMKT-AXFHLTTASA-N 1 0 195.306 1.944 20 0 ADADRO CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CC12CC2 527860561 325652325 /nfs/dbraw/zinc/65/23/25/325652325.db2.gz AYAMFNUJOKOVAC-HBNTYKKESA-N 1 0 197.322 1.782 20 0 ADADRO CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC12CC2 527861954 325652332 /nfs/dbraw/zinc/65/23/32/325652332.db2.gz FCIPXSPVWLLUPJ-HBNTYKKESA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]([NH2+]CC1(C)COC1)[C@H]1CC12CC2 527870713 325652440 /nfs/dbraw/zinc/65/24/40/325652440.db2.gz YFRYRSCELWASDJ-NXEZZACHSA-N 1 0 195.306 1.801 20 0 ADADRO CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CC12CC2 527860562 325652448 /nfs/dbraw/zinc/65/24/48/325652448.db2.gz AYAMFNUJOKOVAC-OUAUKWLOSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@H]([NH2+]CC[C@@H](C)O)[C@H]1CC12CC2 527873922 325652541 /nfs/dbraw/zinc/65/25/41/325652541.db2.gz SMROBAQQKMKAKI-KXUCPTDWSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](CO)[NH2+][C@@H](C)[C@H]1CC12CC2 527867423 325652544 /nfs/dbraw/zinc/65/25/44/325652544.db2.gz JREJRWCZNXVLBD-XHNCKOQMSA-N 1 0 169.268 1.145 20 0 ADADRO C[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CC12CC2 527873921 325652556 /nfs/dbraw/zinc/65/25/56/325652556.db2.gz SMROBAQQKMKAKI-BBBLOLIVSA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CC12CC2 527861953 325652560 /nfs/dbraw/zinc/65/25/60/325652560.db2.gz FCIPXSPVWLLUPJ-GMTAPVOTSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H](CO)[NH2+][C@H](C)[C@H]1CC12CC2 527867421 325652566 /nfs/dbraw/zinc/65/25/66/325652566.db2.gz JREJRWCZNXVLBD-DJLDLDEBSA-N 1 0 169.268 1.145 20 0 ADADRO CC(C)[C@@H](CO)[NH2+][C@H](C)[C@@H]1CC12CC2 527873473 325652577 /nfs/dbraw/zinc/65/25/77/325652577.db2.gz VMLGVRCBTJKGRZ-OUAUKWLOSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@H]([NH2+]C[C@@H](C)O)[C@@H]1CC12CC2 527879313 325652750 /nfs/dbraw/zinc/65/27/50/325652750.db2.gz YTDUMTYTENHADQ-VGMNWLOBSA-N 1 0 169.268 1.145 20 0 ADADRO CO[C@H](C)C[NH2+][C@H](C)[C@@H]1CC12CC2 527890786 325652826 /nfs/dbraw/zinc/65/28/26/325652826.db2.gz DMVCWLYGLOEKJQ-BBBLOLIVSA-N 1 0 183.295 1.800 20 0 ADADRO C[C@H]([NH2+]CCN1CCC1)[C@H]1CC12CC2 527876638 325652840 /nfs/dbraw/zinc/65/28/40/325652840.db2.gz UDYNWPBFSKBGIE-WDEREUQCSA-N 1 0 194.322 1.470 20 0 ADADRO CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CC12CC2 527890831 325652866 /nfs/dbraw/zinc/65/28/66/325652866.db2.gz DRNATYWIHGXDCJ-GUBZILKMSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H](O)C[NH2+][C@H](C)[C@H]1CC12CC2 527879306 325652924 /nfs/dbraw/zinc/65/29/24/325652924.db2.gz YTDUMTYTENHADQ-DJLDLDEBSA-N 1 0 169.268 1.145 20 0 ADADRO C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CC12CC2 527879308 325652989 /nfs/dbraw/zinc/65/29/89/325652989.db2.gz YTDUMTYTENHADQ-HLTSFMKQSA-N 1 0 169.268 1.145 20 0 ADADRO C[C@@H]([NH2+]CCN1CCC1)[C@H]1CC12CC2 527876635 325653057 /nfs/dbraw/zinc/65/30/57/325653057.db2.gz UDYNWPBFSKBGIE-GHMZBOCLSA-N 1 0 194.322 1.470 20 0 ADADRO COC[C@@H](C)[NH2+][C@H](C)[C@@H]1CC12CC2 527877744 325653026 /nfs/dbraw/zinc/65/30/26/325653026.db2.gz TZTFUDGTLFFOTF-BBBLOLIVSA-N 1 0 183.295 1.800 20 0 ADADRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC12CC2 527888886 325653029 /nfs/dbraw/zinc/65/30/29/325653029.db2.gz WKQOTOKCVZTDLJ-NAKRPEOUSA-N 1 0 197.322 1.924 20 0 ADADRO C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CC12CC2 527889926 325653037 /nfs/dbraw/zinc/65/30/37/325653037.db2.gz FCBGLUCNUZXKEK-UWVGGRQHSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H](O)C[NH2+][C@H](C)[C@H]1CC12CC2 527902382 325653099 /nfs/dbraw/zinc/65/30/99/325653099.db2.gz ORSWATHPNMJGNI-KXUCPTDWSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](CN(C)C)[NH2+][C@H](C)[C@@H]1CC12CC2 527900919 325653111 /nfs/dbraw/zinc/65/31/11/325653111.db2.gz QQAYOPGQFBVVJJ-AXFHLTTASA-N 1 0 196.338 1.715 20 0 ADADRO C[C@@H](CN(C)C)[NH2+][C@H](C)[C@H]1CC12CC2 527900922 325653191 /nfs/dbraw/zinc/65/31/91/325653191.db2.gz QQAYOPGQFBVVJJ-HBNTYKKESA-N 1 0 196.338 1.715 20 0 ADADRO C[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC12CC2 527898696 325653195 /nfs/dbraw/zinc/65/31/95/325653195.db2.gz SMROBAQQKMKAKI-LPEHRKFASA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CC12CC2 527890834 325653201 /nfs/dbraw/zinc/65/32/01/325653201.db2.gz DRNATYWIHGXDCJ-LPEHRKFASA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]([NH2+]CCN(C)C)[C@H]1CC12CC2 527903176 325653228 /nfs/dbraw/zinc/65/32/28/325653228.db2.gz XRMHJRIYWVCQFO-NXEZZACHSA-N 1 0 182.311 1.326 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CC12CC2 527897310 325653242 /nfs/dbraw/zinc/65/32/42/325653242.db2.gz FXMPDNRBSAYAFE-MXWKQRLJSA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]([NH2+]CCF)[C@H]1CC12CC2 527894955 325653254 /nfs/dbraw/zinc/65/32/54/325653254.db2.gz OKGPQTBSJBTSOW-JGVFFNPUSA-N 1 0 157.232 1.734 20 0 ADADRO C[C@H]([NH2+][C@H]1CCCOC1)[C@H]1CC12CC2 527897302 325653315 /nfs/dbraw/zinc/65/33/15/325653315.db2.gz FXMPDNRBSAYAFE-GARJFASQSA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CC12CC2 527902971 325653320 /nfs/dbraw/zinc/65/33/20/325653320.db2.gz PCAVOHHASMOWAM-ZRUFSTJUSA-N 1 0 195.306 1.942 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC12CC2 527902381 325653323 /nfs/dbraw/zinc/65/33/23/325653323.db2.gz ORSWATHPNMJGNI-GUBZILKMSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCCOC1)[C@H]1CC12CC2 527897308 325653334 /nfs/dbraw/zinc/65/33/34/325653334.db2.gz FXMPDNRBSAYAFE-HBNTYKKESA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1CC12CC2 527897300 325653337 /nfs/dbraw/zinc/65/33/37/325653337.db2.gz FXMPDNRBSAYAFE-DCAQKATOSA-N 1 0 195.306 1.944 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC12CC2 527902384 325653340 /nfs/dbraw/zinc/65/33/40/325653340.db2.gz ORSWATHPNMJGNI-LPEHRKFASA-N 1 0 183.295 1.536 20 0 ADADRO CC[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)[C@H](C)O 527903606 325653667 /nfs/dbraw/zinc/65/36/67/325653667.db2.gz IXICAAPTYPMUTG-RCWTZXSCSA-N 1 0 197.322 1.924 20 0 ADADRO C[C@@H]([NH2+]CCF)[C@@H]1CC12CC2 527894958 325653342 /nfs/dbraw/zinc/65/33/42/325653342.db2.gz OKGPQTBSJBTSOW-SFYZADRCSA-N 1 0 157.232 1.734 20 0 ADADRO C[C@H](O)CC[NH2+][C@H](C)[C@H]1CC12CC2 527898692 325653344 /nfs/dbraw/zinc/65/33/44/325653344.db2.gz SMROBAQQKMKAKI-IVZWLZJFSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H]([NH2+]CCN(C)C)[C@@H]1CC12CC2 527903178 325653390 /nfs/dbraw/zinc/65/33/90/325653390.db2.gz XRMHJRIYWVCQFO-UWVGGRQHSA-N 1 0 182.311 1.326 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCCOC1)[C@H]1CC12CC2 527897305 325653401 /nfs/dbraw/zinc/65/34/01/325653401.db2.gz FXMPDNRBSAYAFE-GMTAPVOTSA-N 1 0 195.306 1.944 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CC12CC2 527907552 325653605 /nfs/dbraw/zinc/65/36/05/325653605.db2.gz DHYRXTILGNREGI-LNFKQOIKSA-N 1 0 195.306 1.678 20 0 ADADRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@H]1CC12CC2 527912926 325653650 /nfs/dbraw/zinc/65/36/50/325653650.db2.gz WMMUHSMKXMSKSM-UKKRHICBSA-N 1 0 195.306 1.678 20 0 ADADRO CC[C@@H](COC)[NH2+]CC1CC=CC1 527944646 325653973 /nfs/dbraw/zinc/65/39/73/325653973.db2.gz OMBMEWAKWRKZBJ-NSHDSACASA-N 1 0 183.295 1.967 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+]CC1CC=CC1 527946310 325653974 /nfs/dbraw/zinc/65/39/74/325653974.db2.gz UOYOLRUOCZVUAW-ZJUUUORDSA-N 1 0 183.295 1.966 20 0 ADADRO CCC(CC)[NH2+]CC12CC(CO1)C2 527976173 325654424 /nfs/dbraw/zinc/65/44/24/325654424.db2.gz CMJBXBYNJRZIQA-UHFFFAOYSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]CC12CC(CO1)C2 527984317 325654497 /nfs/dbraw/zinc/65/44/97/325654497.db2.gz SDTNAPQSVAANON-GCVQQVDUSA-N 1 0 195.306 1.944 20 0 ADADRO CC(C)[C@H](C)[NH2+]CC12CC(CO1)C2 527977313 325654502 /nfs/dbraw/zinc/65/45/02/325654502.db2.gz HSEZCJRBTVWPHR-WHXUTIOJSA-N 1 0 183.295 1.800 20 0 ADADRO C[C@H]([NH2+]CC12CC(CO1)C2)C1CCC1 527983248 325654506 /nfs/dbraw/zinc/65/45/06/325654506.db2.gz WGWDSFRMSQQTBF-BMQDGWLCSA-N 1 0 195.306 1.944 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]CC12CC(CO1)C2 527980524 325654522 /nfs/dbraw/zinc/65/45/22/325654522.db2.gz NMLNXDCLRMBIAS-BFUDSRACSA-N 1 0 195.306 1.944 20 0 ADADRO CC(C)[NH2+]CC12CC(CO1)C2 527986057 325654543 /nfs/dbraw/zinc/65/45/43/325654543.db2.gz UUJHAKHFBCATTP-UHFFFAOYSA-N 1 0 155.241 1.163 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+]CC23CC(CO2)C3)[C@@H]1C 527982327 325654558 /nfs/dbraw/zinc/65/45/58/325654558.db2.gz SQQQEABMQUEXHK-HBUVQDDESA-N 1 0 195.306 1.800 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CC12CC(CO1)C2 527977311 325654563 /nfs/dbraw/zinc/65/45/63/325654563.db2.gz HSEZCJRBTVWPHR-KPPDAEKUSA-N 1 0 183.295 1.800 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]CC12CC(CO1)C2 527980535 325654566 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/nfs/dbraw/zinc/98/29/15/342982915.db2.gz MRUPCBZVRCDJHH-UHFFFAOYSA-N 1 0 196.294 1.095 20 0 ADADRO CC1(C[NH3+])Cc2ccccc2C1 3804746 342984735 /nfs/dbraw/zinc/98/47/35/342984735.db2.gz JOLKQWPKJFRPOU-UHFFFAOYSA-N 1 0 161.248 1.750 20 0 ADADRO CC[C@H](CO)[NH+]1Cc2ccccc2C1 4262311 342989784 /nfs/dbraw/zinc/98/97/84/342989784.db2.gz OGAAQVONYOTBGB-GFCCVEGCSA-N 1 0 191.274 1.773 20 0 in-vitro ADADRO Cc1cc2[nH+]c(N)n(C)c2cc1C 5160409 342999153 /nfs/dbraw/zinc/99/91/53/342999153.db2.gz ZCVNFMSBCOIFOK-UHFFFAOYSA-N 1 0 175.235 1.772 20 0 ADADRO CC[C@H](O)C[NH+]1CCCCCC1 5468049 343003450 /nfs/dbraw/zinc/00/34/50/343003450.db2.gz APXUHZLJEGILJA-JTQLQIEISA-N 1 0 171.284 1.633 20 0 ADADRO CC[C@@H](O)C[NH+]1CCCCCC1 5468893 343003439 /nfs/dbraw/zinc/00/34/39/343003439.db2.gz APXUHZLJEGILJA-SNVBAGLBSA-N 1 0 171.284 1.633 20 0 ADADRO C[C@H](O)C[N@H+](C)C1CCCCC1 5762850 343007968 /nfs/dbraw/zinc/00/79/68/343007968.db2.gz AOYWMHSHNWYFCL-VIFPVBQESA-N 1 0 171.284 1.632 20 0 ADADRO Cc1c(Cl)cnn1CCC[NH3+] 6254825 343013747 /nfs/dbraw/zinc/01/37/47/343013747.db2.gz CCOPZSXVHMEHIN-UHFFFAOYSA-N 1 0 173.647 1.194 20 0 ADADRO CC[C@H]1CCC[C@@H](C)[NH2+]1 6424622 343014184 /nfs/dbraw/zinc/01/41/84/343014184.db2.gz SHNZHBPHRUISCU-SFYZADRCSA-N 1 0 127.231 1.927 20 0 ADADRO Cc1nn(C(C)C)cc1C[NH3+] 11920554 343026528 /nfs/dbraw/zinc/02/65/28/343026528.db2.gz SRZBTNYOFYINKL-UHFFFAOYSA-N 1 0 153.229 1.231 20 0 ADADRO CC[C@@H](CO)[NH2+]CC(C)C 8326239 343018245 /nfs/dbraw/zinc/01/82/45/343018245.db2.gz YOFCXXTYEGRXPY-QMMMGPOBSA-N 1 0 145.246 1.003 20 0 ADADRO CC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C 8337161 343018287 /nfs/dbraw/zinc/01/82/87/343018287.db2.gz NSUSEJSMGQZIMZ-HBNTYKKESA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](CO)[NH2+]CC(C)C 8326981 343018338 /nfs/dbraw/zinc/01/83/38/343018338.db2.gz YOFCXXTYEGRXPY-MRVPVSSYSA-N 1 0 145.246 1.003 20 0 ADADRO C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)O 8535411 343018552 /nfs/dbraw/zinc/01/85/52/343018552.db2.gz LWGQVKFFMIOLPC-AEJSXWLSSA-N 1 0 171.284 1.536 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)O 8535423 343018660 /nfs/dbraw/zinc/01/86/60/343018660.db2.gz LWGQVKFFMIOLPC-IVZWLZJFSA-N 1 0 171.284 1.536 20 0 ADADRO Cc1ccc(C[NH2+]CCCCO)s1 8728015 343020460 /nfs/dbraw/zinc/02/04/60/343020460.db2.gz HEIFTWWYVYZLRU-UHFFFAOYSA-N 1 0 199.319 1.919 20 0 ADADRO C[C@H](O)C[NH2+]C[C@H](C)c1ccccc1 10474611 343022485 /nfs/dbraw/zinc/02/24/85/343022485.db2.gz JOHNWNCVZRMTPI-QWRGUYRKSA-N 1 0 193.290 1.761 20 0 ADADRO C[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1 10474613 343022611 /nfs/dbraw/zinc/02/26/11/343022611.db2.gz JOHNWNCVZRMTPI-MNOVXSKESA-N 1 0 193.290 1.761 20 0 ADADRO CC(C)[C@@H]([NH3+])c1nccs1 11631779 343023425 /nfs/dbraw/zinc/02/34/25/343023425.db2.gz VTMMLMUSFHMBLX-ZCFIWIBFSA-N 1 0 156.254 1.799 20 0 ADADRO Cc1cccc(C)c1NC(=O)CC[NH3+] 11755238 343024523 /nfs/dbraw/zinc/02/45/23/343024523.db2.gz CRKZJNOEZYHVHS-UHFFFAOYSA-N 1 0 192.262 1.591 20 0 ADADRO Cc1cccc(NC(=O)CC[NH3+])c1C 11755239 343024545 /nfs/dbraw/zinc/02/45/45/343024545.db2.gz JYXIJNHIKZTAGZ-UHFFFAOYSA-N 1 0 192.262 1.591 20 0 ADADRO Cc1cccc(NC(=O)CCC[NH3+])c1 11755348 343024630 /nfs/dbraw/zinc/02/46/30/343024630.db2.gz WTPPXEREMTXEPP-UHFFFAOYSA-N 1 0 192.262 1.672 20 0 ADADRO C[C@H]([NH3+])CN1CCc2ccccc21 11805172 343025095 /nfs/dbraw/zinc/02/50/95/343025095.db2.gz YTOGUJXEBJDRRI-VIFPVBQESA-N 1 0 176.263 1.396 20 0 ADADRO Cc1csc(C[C@@H]2CCC[NH2+]C2)n1 11884093 343025968 /nfs/dbraw/zinc/02/59/68/343025968.db2.gz AJSDFKQACABWDZ-VIFPVBQESA-N 1 0 196.319 1.994 20 0 ADADRO CCc1cnc(CC[NH3+])s1 11886318 343025997 /nfs/dbraw/zinc/02/59/97/343025997.db2.gz LAMUPMFDHQLUII-UHFFFAOYSA-N 1 0 156.254 1.207 20 0 in-vitro ADADRO Cc1csc(C[C@H]2CCC[NH2+]C2)n1 11884097 343026233 /nfs/dbraw/zinc/02/62/33/343026233.db2.gz AJSDFKQACABWDZ-SECBINFHSA-N 1 0 196.319 1.994 20 0 ADADRO CCCC[N@@H+]1CC[C@H](CO)C1 11892487 343026557 /nfs/dbraw/zinc/02/65/57/343026557.db2.gz UVMHZXOYSWLKCG-VIFPVBQESA-N 1 0 157.257 1.101 20 0 ADADRO CCCC[N@@H+]1CC[C@@H](CO)C1 11892483 343026641 /nfs/dbraw/zinc/02/66/41/343026641.db2.gz UVMHZXOYSWLKCG-SECBINFHSA-N 1 0 157.257 1.101 20 0 ADADRO CCCCC[N@@H+]1CC[C@H](CO)C1 11892738 343026759 /nfs/dbraw/zinc/02/67/59/343026759.db2.gz QESWTAOYEDMWGQ-JTQLQIEISA-N 1 0 171.284 1.491 20 0 ADADRO CCCCC[N@@H+]1CC[C@@H](CO)C1 11892732 343026797 /nfs/dbraw/zinc/02/67/97/343026797.db2.gz QESWTAOYEDMWGQ-SNVBAGLBSA-N 1 0 171.284 1.491 20 0 ADADRO [NH3+]CCCC(=O)NCc1cccs1 11955189 343027051 /nfs/dbraw/zinc/02/70/51/343027051.db2.gz KSCXAUPBTUVWOX-UHFFFAOYSA-N 1 0 198.291 1.103 20 0 ADADRO CC1CCC2(CC1)COCC[NH2+]2 11950393 343027294 /nfs/dbraw/zinc/02/72/94/343027294.db2.gz DVLJJKWPSYQBCL-UHFFFAOYSA-N 1 0 169.268 1.555 20 0 ADADRO CCc1ccc(NC(=O)[C@H](C)[NH3+])cc1 11957624 343027510 /nfs/dbraw/zinc/02/75/10/343027510.db2.gz MSBANVTYAODCQH-QMMMGPOBSA-N 1 0 192.262 1.535 20 0 ADADRO CCc1cccc(C)c1NC(=O)C[NH3+] 11957136 343027535 /nfs/dbraw/zinc/02/75/35/343027535.db2.gz ZYMZLQYSLUNBPO-UHFFFAOYSA-N 1 0 192.262 1.455 20 0 ADADRO Cc1cc(C)cc(NC(=O)[C@H](C)[NH3+])c1 11957612 343027591 /nfs/dbraw/zinc/02/75/91/343027591.db2.gz HDMGAWAVSDMCJJ-VIFPVBQESA-N 1 0 192.262 1.589 20 0 ADADRO CCCCCNC(=O)[C@@H]([NH3+])C(C)C 11958955 343027612 /nfs/dbraw/zinc/02/76/12/343027612.db2.gz SUTSAQQAAAJVCA-VIFPVBQESA-N 1 0 186.299 1.276 20 0 ADADRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1C 11957605 343027625 /nfs/dbraw/zinc/02/76/25/343027625.db2.gz RKHFMCLQYHYSQF-VIFPVBQESA-N 1 0 192.262 1.589 20 0 ADADRO C[C@H]([NH3+])C(=O)Nc1ccccc1Cl 11957663 343027709 /nfs/dbraw/zinc/02/77/09/343027709.db2.gz VRPXYDLVWZJFBV-LURJTMIESA-N 1 0 198.653 1.626 20 0 ADADRO C[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1 11957669 343027728 /nfs/dbraw/zinc/02/77/28/343027728.db2.gz FSAOZGHRBAKTRP-LURJTMIESA-N 1 0 198.653 1.626 20 0 ADADRO C[C@H]([NH3+])C(=O)NC1CCCCCC1 11957987 343027839 /nfs/dbraw/zinc/02/78/39/343027839.db2.gz HAJOFPXCCZBOFS-QMMMGPOBSA-N 1 0 184.283 1.173 20 0 ADADRO CCCCNC(=O)[C@@H]([NH3+])[C@H](C)CC 11959206 343027853 /nfs/dbraw/zinc/02/78/53/343027853.db2.gz ZCLXOGKYLYWKDL-BDAKNGLRSA-N 1 0 186.299 1.276 20 0 ADADRO Cc1ccc(NC(=O)[C@H](C)[NH3+])c(C)c1 11957602 343027864 /nfs/dbraw/zinc/02/78/64/343027864.db2.gz FMGZKIABODMQBF-VIFPVBQESA-N 1 0 192.262 1.589 20 0 ADADRO CCc1ccccc1NC(=O)[C@H](C)[NH3+] 11957617 343027874 /nfs/dbraw/zinc/02/78/74/343027874.db2.gz SPNBOUOUZVIYKM-QMMMGPOBSA-N 1 0 192.262 1.535 20 0 ADADRO Cc1ccc(C)c(NC(=O)[C@H](C)[NH3+])c1 11958010 343027881 /nfs/dbraw/zinc/02/78/81/343027881.db2.gz YRCWOGRZXGQMJT-VIFPVBQESA-N 1 0 192.262 1.589 20 0 ADADRO C[C@H]([NH3+])C(=O)Nc1cccc(F)c1 11958048 343027919 /nfs/dbraw/zinc/02/79/19/343027919.db2.gz VCARXBNLDBFTQE-LURJTMIESA-N 1 0 182.198 1.111 20 0 ADADRO Cc1cccc(NC(=O)[C@H](C)[NH3+])c1C 11958013 343027924 /nfs/dbraw/zinc/02/79/24/343027924.db2.gz VMDRWHBKASWDPY-VIFPVBQESA-N 1 0 192.262 1.589 20 0 ADADRO CCCCC(=O)NC1(C[NH3+])CCCC1 12357189 343028688 /nfs/dbraw/zinc/02/86/88/343028688.db2.gz BMNDDXUAVBQVMT-UHFFFAOYSA-N 1 0 198.310 1.564 20 0 ADADRO C[N@H+](CC(N)=O)C1CCCCCC1 12945629 343032394 /nfs/dbraw/zinc/03/23/94/343032394.db2.gz JYWJNKUBGAXBNA-UHFFFAOYSA-N 1 0 184.283 1.126 20 0 ADADRO C[NH+](C)Cc1ccc2c(c1)OCO2 13481872 343035063 /nfs/dbraw/zinc/03/50/63/343035063.db2.gz JXVLEYPOHIIQMA-UHFFFAOYSA-N 1 0 179.219 1.477 20 0 ADADRO O=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCF 13550043 343036360 /nfs/dbraw/zinc/03/63/60/343036360.db2.gz KUOBUGYWJVNFRP-OCAPTIKFSA-N 1 0 171.215 1.152 20 0 ADADRO C[C@]1([NH3+])CCCC[C@@H]1c1c[nH]cn1 13741220 343037217 /nfs/dbraw/zinc/03/72/17/343037217.db2.gz QRPSMQORRBAFIK-SCZZXKLOSA-N 1 0 179.267 1.785 20 0 ADADRO C[C@@]1([NH3+])CCCC[C@@H]1c1c[nH]cn1 13741221 343037305 /nfs/dbraw/zinc/03/73/05/343037305.db2.gz QRPSMQORRBAFIK-PSASIEDQSA-N 1 0 179.267 1.785 20 0 ADADRO CCc1noc(C2=CCC[NH2+]C2)n1 13820914 343037933 /nfs/dbraw/zinc/03/79/33/343037933.db2.gz BAWNZJYQQFMPDY-UHFFFAOYSA-N 1 0 179.223 1.009 20 0 ADADRO Cc1noc(C2=CCC[N@@H+](C)C2)n1 13820157 343037937 /nfs/dbraw/zinc/03/79/37/343037937.db2.gz BKFJSSZEZLOHAQ-UHFFFAOYSA-N 1 0 179.223 1.097 20 0 ADADRO CCOC(=O)C[N@H+](C)C1CCCCC1 14218087 343038174 /nfs/dbraw/zinc/03/81/74/343038174.db2.gz NKVSJIWDMHRTFM-UHFFFAOYSA-N 1 0 199.294 1.814 20 0 ADADRO CCC(=O)C[C@H]1CCCC[NH2+]1 14444896 343038646 /nfs/dbraw/zinc/03/86/46/343038646.db2.gz RHLYAWVHQJCIJV-MRVPVSSYSA-N 1 0 155.241 1.498 20 0 ADADRO C[NH+](C)Cc1ccccc1F 14218111 343038665 /nfs/dbraw/zinc/03/86/65/343038665.db2.gz NSCATPOHERQCFD-UHFFFAOYSA-N 1 0 153.200 1.887 20 0 ADADRO CCC(=O)C[C@@H]1CCCC[NH2+]1 14444894 343038683 /nfs/dbraw/zinc/03/86/83/343038683.db2.gz RHLYAWVHQJCIJV-QMMMGPOBSA-N 1 0 155.241 1.498 20 0 ADADRO CC(=O)C[C@@H]1CCC[C@@H](C)[NH2+]1 14592921 343039374 /nfs/dbraw/zinc/03/93/74/343039374.db2.gz PLVQSRXCDPEDHN-APPZFPTMSA-N 1 0 155.241 1.496 20 0 ADADRO CC(C)[N@@H+]1CC[C@@H](C)C1 14593191 343039517 /nfs/dbraw/zinc/03/95/17/343039517.db2.gz APXMRXMHWOOYMD-MRVPVSSYSA-N 1 0 127.231 1.737 20 0 ADADRO CC(C)[N@@H+]1CC[C@H](C)C1 14593192 343039547 /nfs/dbraw/zinc/03/95/47/343039547.db2.gz APXMRXMHWOOYMD-QMMMGPOBSA-N 1 0 127.231 1.737 20 0 ADADRO Cc1ccsc1C[NH2+]CCCCO 15416556 343041748 /nfs/dbraw/zinc/04/17/48/343041748.db2.gz YGLJJJSQVDPUKM-UHFFFAOYSA-N 1 0 199.319 1.919 20 0 ADADRO CC(C)[C@H]([NH3+])C(=O)Nc1ccncc1 15445993 343042177 /nfs/dbraw/zinc/04/21/77/343042177.db2.gz GALLBOFDNZNZSB-VIFPVBQESA-N 1 0 193.250 1.003 20 0 ADADRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccncc1 15445991 343042289 /nfs/dbraw/zinc/04/22/89/343042289.db2.gz GALLBOFDNZNZSB-SECBINFHSA-N 1 0 193.250 1.003 20 0 ADADRO CCC[NH2+][C@@H](CO)C(C)(C)C 18681658 343048855 /nfs/dbraw/zinc/04/88/55/343048855.db2.gz UHCUTRUUQJRNPW-QMMMGPOBSA-N 1 0 159.273 1.393 20 0 ADADRO Cc1nnc(S[C@@H](C)C[NH3+])s1 15937451 343043174 /nfs/dbraw/zinc/04/31/74/343043174.db2.gz LCDXDGGKSWONEG-BYPYZUCNSA-N 1 0 189.309 1.286 20 0 ADADRO CC[C@](C)(O)C[NH2+]CC(C)C 17618255 343047181 /nfs/dbraw/zinc/04/71/81/343047181.db2.gz CEGXRFOLCPJYOB-VIFPVBQESA-N 1 0 159.273 1.393 20 0 ADADRO C[NH2+]CCCOc1cccc(OC)c1 19094434 343051460 /nfs/dbraw/zinc/05/14/60/343051460.db2.gz UOZFEYHLCNJLAK-UHFFFAOYSA-N 1 0 195.262 1.684 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]C1CC1 19126418 343051594 /nfs/dbraw/zinc/05/15/94/343051594.db2.gz FCCNAGOKMBHUTK-IONNQARKSA-N 1 0 139.242 1.927 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]C1CC1 19126408 343051660 /nfs/dbraw/zinc/05/16/60/343051660.db2.gz FCCNAGOKMBHUTK-CBAPKCEASA-N 1 0 139.242 1.927 20 0 ADADRO Cc1ccc(NC(=O)CC[NH3+])cc1F 19256354 343052027 /nfs/dbraw/zinc/05/20/27/343052027.db2.gz NEWNSFGRTIWOCV-UHFFFAOYSA-N 1 0 196.225 1.421 20 0 ADADRO C[C@H]1CCCC[C@@H]1NC(=O)CC[NH3+] 19256904 343052069 /nfs/dbraw/zinc/05/20/69/343052069.db2.gz REEAAGPGRULGRY-IUCAKERBSA-N 1 0 184.283 1.030 20 0 ADADRO C[C@H](N)C[N@@H+]1CCCC[C@@H]1C 19259403 343052155 /nfs/dbraw/zinc/05/21/55/343052155.db2.gz LNIRWWJFQOFQOG-IUCAKERBSA-N 1 0 156.273 1.208 20 0 ADADRO C[C@H]([NH3+])CN1c2ccccc2C[C@@H]1C 19272913 343052584 /nfs/dbraw/zinc/05/25/84/343052584.db2.gz GMJBWBMMQLUBLN-UWVGGRQHSA-N 1 0 190.290 1.785 20 0 ADADRO C[C@H]1Cc2ccccc2N1C[C@@H](C)[NH3+] 19272911 343052654 /nfs/dbraw/zinc/05/26/54/343052654.db2.gz GMJBWBMMQLUBLN-ZJUUUORDSA-N 1 0 190.290 1.785 20 0 ADADRO CCCCCNC(=O)[C@@H]1CCCC[NH2+]1 19411205 343054328 /nfs/dbraw/zinc/05/43/28/343054328.db2.gz VZSNVSBKUQSGJW-JTQLQIEISA-N 1 0 198.310 1.435 20 0 ADADRO CCC(C)(C)NC(=O)C1CC[NH2+]CC1 19409802 343054468 /nfs/dbraw/zinc/05/44/68/343054468.db2.gz BNGZNSGVINTTAM-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 19431373 343054963 /nfs/dbraw/zinc/05/49/63/343054963.db2.gz MSBANVTYAODCQH-MRVPVSSYSA-N 1 0 192.262 1.535 20 0 ADADRO CC(C)NC(=O)CCCCC[NH3+] 19438275 343054982 /nfs/dbraw/zinc/05/49/82/343054982.db2.gz FLQGCBCGYHSCDA-UHFFFAOYSA-N 1 0 172.272 1.030 20 0 ADADRO C[NH2+]CC(=O)Nc1ccc(F)cc1C 19431224 343055023 /nfs/dbraw/zinc/05/50/23/343055023.db2.gz ILOIRRRPIWJWDT-UHFFFAOYSA-N 1 0 196.225 1.292 20 0 ADADRO CCc1cccc(NC(=O)[C@@H](C)[NH3+])c1 19475001 343055476 /nfs/dbraw/zinc/05/54/76/343055476.db2.gz HDXIVNUEISVUDR-MRVPVSSYSA-N 1 0 192.262 1.535 20 0 ADADRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C 19442346 343055527 /nfs/dbraw/zinc/05/55/27/343055527.db2.gz APCLYSZDABRHMF-CIUDSAMLSA-N 1 0 184.283 1.029 20 0 ADADRO CCc1cccc(NC(=O)[C@H](C)[NH3+])c1 19475003 343055574 /nfs/dbraw/zinc/05/55/74/343055574.db2.gz HDXIVNUEISVUDR-QMMMGPOBSA-N 1 0 192.262 1.535 20 0 ADADRO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1C 19441952 343055612 /nfs/dbraw/zinc/05/56/12/343055612.db2.gz RKHFMCLQYHYSQF-SECBINFHSA-N 1 0 192.262 1.589 20 0 ADADRO C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH3+] 19442344 343055619 /nfs/dbraw/zinc/05/56/19/343055619.db2.gz APCLYSZDABRHMF-YIZRAAEISA-N 1 0 184.283 1.029 20 0 ADADRO C1CC1C[N@@H+]1CC[C@H]1C1CC1 19452772 343055716 /nfs/dbraw/zinc/05/57/16/343055716.db2.gz PCWPDLLSXORZSE-JTQLQIEISA-N 1 0 151.253 1.881 20 0 ADADRO C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH3+] 19442340 343055778 /nfs/dbraw/zinc/05/57/78/343055778.db2.gz 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COVUXBAGPYPNIL-ZETCQYMHSA-N 1 0 153.229 1.298 20 0 ADADRO CCn1ccnc1C[NH2+]CCCOC 22861787 343082471 /nfs/dbraw/zinc/08/24/71/343082471.db2.gz OMZZUHDBCANKNV-UHFFFAOYSA-N 1 0 197.282 1.029 20 0 ADADRO CCCC[NH2+]Cc1ncc[nH]1 22861386 343082474 /nfs/dbraw/zinc/08/24/74/343082474.db2.gz QCGJPVYQTXXZPO-UHFFFAOYSA-N 1 0 153.229 1.299 20 0 ADADRO CCC[NH2+]Cc1nccs1 22861706 343082504 /nfs/dbraw/zinc/08/25/04/343082504.db2.gz NYVWIKVRJLUNHG-UHFFFAOYSA-N 1 0 156.254 1.643 20 0 ADADRO Cc1cc[nH+]c2c1NCCN2 24620020 343085849 /nfs/dbraw/zinc/08/58/49/343085849.db2.gz FBOPIMIRKZAARO-UHFFFAOYSA-N 1 0 149.197 1.227 20 0 ADADRO CNc1c[nH+]c2ccccn12 24550518 343086028 /nfs/dbraw/zinc/08/60/28/343086028.db2.gz GPDVGUXOXNYJRV-UHFFFAOYSA-N 1 0 147.181 1.376 20 0 ADADRO OCc1c[nH]c2cc[nH+]cc12 24780788 343086487 /nfs/dbraw/zinc/08/64/87/343086487.db2.gz JLKDAJJNHSQRCK-UHFFFAOYSA-N 1 0 148.165 1.055 20 0 ADADRO Cc1cc(C)c2c([nH+]1)NCC(=O)N2 26438401 343087736 /nfs/dbraw/zinc/08/77/36/343087736.db2.gz ZEPLJTYVYXPPJB-UHFFFAOYSA-N 1 0 177.207 1.062 20 0 in-vitro ADADRO CC[NH2+][C@H]1CCC[C@@H]2C[C@H]12 26320090 343087824 /nfs/dbraw/zinc/08/78/24/343087824.db2.gz VWKGTVYDQISRES-VGMNWLOBSA-N 1 0 139.242 1.785 20 0 ADADRO CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 26320085 343087886 /nfs/dbraw/zinc/08/78/86/343087886.db2.gz VWKGTVYDQISRES-HRDYMLBCSA-N 1 0 139.242 1.785 20 0 ADADRO Cc1ccc(C[NH2+]CCCCCO)o1 26482999 343088790 /nfs/dbraw/zinc/08/87/90/343088790.db2.gz BHJNTLTVXMCQKB-UHFFFAOYSA-N 1 0 197.278 1.840 20 0 ADADRO C[C@H]1CCC[C@H]([NH2+]CCO)C1 26515524 343089127 /nfs/dbraw/zinc/08/91/27/343089127.db2.gz ZPTFHJVBDMLVJM-IUCAKERBSA-N 1 0 157.257 1.147 20 0 ADADRO C[C@H]1CCC[C@@H]([NH2+]CCO)C1 26515520 343089296 /nfs/dbraw/zinc/08/92/96/343089296.db2.gz ZPTFHJVBDMLVJM-DTWKUNHWSA-N 1 0 157.257 1.147 20 0 ADADRO CC(C)[C@H](C)[NH2+]CCCn1ccnc1 26516597 343089573 /nfs/dbraw/zinc/08/95/73/343089573.db2.gz DXNOCTDOORZIRC-NSHDSACASA-N 1 0 195.310 1.907 20 0 ADADRO Cc1ccc(C[NH2+]C[C@H](C)O)o1 27910154 343091067 /nfs/dbraw/zinc/09/10/67/343091067.db2.gz CTDPLWGAGDZGNY-ZETCQYMHSA-N 1 0 169.224 1.058 20 0 ADADRO Cc1ccc(C[NH2+]C[C@@H](C)O)o1 27910149 343091124 /nfs/dbraw/zinc/09/11/24/343091124.db2.gz CTDPLWGAGDZGNY-SSDOTTSWSA-N 1 0 169.224 1.058 20 0 ADADRO C[NH2+]C1(COc2ccc(C)nc2)CC1 29126863 343092379 /nfs/dbraw/zinc/09/23/79/343092379.db2.gz FWBNYQGFUSNVMC-UHFFFAOYSA-N 1 0 192.262 1.521 20 0 in-vitro ADADRO CCC[N@@H+]1C[C@H](C)O[C@H](C)C1 31429481 343093290 /nfs/dbraw/zinc/09/32/90/343093290.db2.gz QOXQMYWIODKZRE-DTORHVGOSA-N 1 0 157.257 1.506 20 0 ADADRO CC[C@H](C)[NH2+]CC(C)(C)O 32005514 343095173 /nfs/dbraw/zinc/09/51/73/343095173.db2.gz ONMVFBLUBNPLQE-ZETCQYMHSA-N 1 0 145.246 1.145 20 0 ADADRO CCCC[N@H+](C)CC(C)(C)O 32005919 343095278 /nfs/dbraw/zinc/09/52/78/343095278.db2.gz ABYHSAOGRJEREX-UHFFFAOYSA-N 1 0 159.273 1.489 20 0 ADADRO CC1CC[NH+](C[C@H](C)O)CC1 32005817 343095409 /nfs/dbraw/zinc/09/54/09/343095409.db2.gz ABQCKQDQRIZCDO-VIFPVBQESA-N 1 0 157.257 1.099 20 0 ADADRO CC1CC[NH+](C[C@@H](C)O)CC1 32005816 343095431 /nfs/dbraw/zinc/09/54/31/343095431.db2.gz ABQCKQDQRIZCDO-SECBINFHSA-N 1 0 157.257 1.099 20 0 ADADRO C[C@H](O)C[NH2+]C1CCCCCC1 32006639 343095736 /nfs/dbraw/zinc/09/57/36/343095736.db2.gz GHCBHZJUQWHYPE-VIFPVBQESA-N 1 0 171.284 1.680 20 0 ADADRO C[C@H](O)C[NH2+][C@H](C)c1ccccc1 32007330 343095952 /nfs/dbraw/zinc/09/59/52/343095952.db2.gz NFXLZPVBFZLNKO-VHSXEESVSA-N 1 0 179.263 1.718 20 0 ADADRO Cc1cccc(C[NH2+]C[C@H](C)O)c1 32007271 343096023 /nfs/dbraw/zinc/09/60/23/343096023.db2.gz UTLFQBNORXLUTM-JTQLQIEISA-N 1 0 179.263 1.465 20 0 ADADRO Cc1cccc(C[NH2+]C[C@@H](C)O)c1 32007270 343096143 /nfs/dbraw/zinc/09/61/43/343096143.db2.gz UTLFQBNORXLUTM-SNVBAGLBSA-N 1 0 179.263 1.465 20 0 ADADRO Cc1ccc(C[NH2+]CC(C)(C)O)cc1 32008814 343096692 /nfs/dbraw/zinc/09/66/92/343096692.db2.gz ZIUISQRQZAHFFM-UHFFFAOYSA-N 1 0 193.290 1.856 20 0 ADADRO C[C@H](O)C[N@@H+]1CCc2ccccc2C1 32008468 343096703 /nfs/dbraw/zinc/09/67/03/343096703.db2.gz BRYRUMXPKITJOF-JTQLQIEISA-N 1 0 191.274 1.426 20 0 ADADRO C[N@H+](Cc1ccccc1)CC(C)(C)O 32008819 343096866 /nfs/dbraw/zinc/09/68/66/343096866.db2.gz PNPXQSCBBAIOAG-UHFFFAOYSA-N 1 0 193.290 1.889 20 0 ADADRO CN(C(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 32903552 343103404 /nfs/dbraw/zinc/10/34/04/343103404.db2.gz GROVASHGSPEQEK-JTQLQIEISA-N 1 0 196.294 1.139 20 0 ADADRO CN(C(=O)[C@H]1CCC[NH2+]1)C1CCCC1 32903553 343103564 /nfs/dbraw/zinc/10/35/64/343103564.db2.gz GROVASHGSPEQEK-SNVBAGLBSA-N 1 0 196.294 1.139 20 0 ADADRO COCC[NH+]1CCCCCC1 32843148 343103566 /nfs/dbraw/zinc/10/35/66/343103566.db2.gz FABLHSRDIWHPJA-UHFFFAOYSA-N 1 0 157.257 1.509 20 0 ADADRO Cc1cccc2c1OCC[NH2+]C2 32919035 343103832 /nfs/dbraw/zinc/10/38/32/343103832.db2.gz YPAQLPJMIOXAQF-UHFFFAOYSA-N 1 0 163.220 1.477 20 0 ADADRO C[C@@H](CCO)[NH2+]C1CCCCC1 34115543 343110919 /nfs/dbraw/zinc/11/09/19/343110919.db2.gz PMAJTYOQZRNAKE-VIFPVBQESA-N 1 0 171.284 1.680 20 0 ADADRO CCC[NH+](CCC)CCCC(N)=O 33432795 343105010 /nfs/dbraw/zinc/10/50/10/343105010.db2.gz OBBXIILNDPVOAP-UHFFFAOYSA-N 1 0 186.299 1.374 20 0 ADADRO C[C@H]1CCCC[C@]1(C)[NH3+] 33610295 343105655 /nfs/dbraw/zinc/10/56/55/343105655.db2.gz KMLNXROOABNOMI-YUMQZZPRSA-N 1 0 127.231 1.914 20 0 ADADRO C[C@H]1CCCC[C@@]1(C)[NH3+] 33610293 343105678 /nfs/dbraw/zinc/10/56/78/343105678.db2.gz KMLNXROOABNOMI-JGVFFNPUSA-N 1 0 127.231 1.914 20 0 ADADRO C[C@@H]1C[N@H+](C)C[C@]1(O)c1ccccc1 33639012 343105835 /nfs/dbraw/zinc/10/58/35/343105835.db2.gz XDFQFXXJLSXTQA-ZYHUDNBSSA-N 1 0 191.274 1.456 20 0 ADADRO C/C=C/C[NH+]1CCC1 33840918 343106938 /nfs/dbraw/zinc/10/69/38/343106938.db2.gz WEFPHRCLYYRWCO-NSCUHMNNSA-N 1 0 111.188 1.268 20 0 ADADRO C1C[C@H]2C[C@H]2[C@H]([NH2+]C2CC2)C1 33878958 343107732 /nfs/dbraw/zinc/10/77/32/343107732.db2.gz HFMHMXYEVFVVCI-FXBDTBDDSA-N 1 0 151.253 1.927 20 0 ADADRO CC1(C)Oc2ccsc2[C@@H]([NH3+])[C@H]1O 34076473 343109756 /nfs/dbraw/zinc/10/97/56/343109756.db2.gz XKGVOPVKKXUCIE-HTRCEHHLSA-N 1 0 199.275 1.280 20 0 ADADRO CCOC(=O)[C@@H]1C[C@H]2CCC[C@H]2[NH2+]1 34101272 343110598 /nfs/dbraw/zinc/11/05/98/343110598.db2.gz BZXHXSNBQABQBW-HLTSFMKQSA-N 1 0 183.251 1.080 20 0 ADADRO CC[C@H]1CC[NH2+]C[C@H]1C 34113766 343111017 /nfs/dbraw/zinc/11/10/17/343111017.db2.gz XDOCILGWSIZBKG-SFYZADRCSA-N 1 0 127.231 1.642 20 0 ADADRO CC[NH+]1CCC(C)(OC)CC1 34157406 343112011 /nfs/dbraw/zinc/11/20/11/343112011.db2.gz OVVNVFBQCWYBHL-UHFFFAOYSA-N 1 0 157.257 1.507 20 0 ADADRO CCC(C)(C)C(N)=[NH2+] 34186005 343112867 /nfs/dbraw/zinc/11/28/67/343112867.db2.gz OEQCZEJZQPZSTR-UHFFFAOYSA-N 1 0 114.192 1.359 20 0 ADADRO [NH3+]CCN1CCCc2sccc2C1 34180309 343112973 /nfs/dbraw/zinc/11/29/73/343112973.db2.gz TWFIYIKJAFBVOW-UHFFFAOYSA-N 1 0 196.319 1.455 20 0 ADADRO C[C@H]1CCCCC[C@H]1[NH3+] 34370415 343117307 /nfs/dbraw/zinc/11/73/07/343117307.db2.gz UHTCTILWSRQCBQ-JGVFFNPUSA-N 1 0 127.231 1.914 20 0 in-vitro ADADRO C[C@H]1CCCCC[C@@H]1[NH3+] 34370413 343117517 /nfs/dbraw/zinc/11/75/17/343117517.db2.gz UHTCTILWSRQCBQ-YUMQZZPRSA-N 1 0 127.231 1.914 20 0 in-vitro ADADRO C[C@H]1CCC[C@@](C)([NH3+])C1 34380570 343117689 /nfs/dbraw/zinc/11/76/89/343117689.db2.gz YDCFHXBMJXTPLV-JGVFFNPUSA-N 1 0 127.231 1.914 20 0 ADADRO CN1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 34370466 343117701 /nfs/dbraw/zinc/11/77/01/343117701.db2.gz UADZBVXKQFURSB-VHSXEESVSA-N 1 0 168.284 1.223 20 0 ADADRO C[C@H]1CCC[C@](C)([NH3+])C1 34380573 343117866 /nfs/dbraw/zinc/11/78/66/343117866.db2.gz YDCFHXBMJXTPLV-YUMQZZPRSA-N 1 0 127.231 1.914 20 0 ADADRO CN1CCC[C@H]1[C@@H]1CCCC[NH2+]1 34370467 343117888 /nfs/dbraw/zinc/11/78/88/343117888.db2.gz UADZBVXKQFURSB-UWVGGRQHSA-N 1 0 168.284 1.223 20 0 ADADRO CCC=C1CC[NH2+]CC1 34413003 343118592 /nfs/dbraw/zinc/11/85/92/343118592.db2.gz PXPZKELQDWNHDW-UHFFFAOYSA-N 1 0 125.215 1.706 20 0 ADADRO CCC[N@@H+]1CCC[C@@H]1C(=O)OC 34413107 343118635 /nfs/dbraw/zinc/11/86/35/343118635.db2.gz FVBCRZVXOZFXND-MRVPVSSYSA-N 1 0 171.240 1.034 20 0 ADADRO CCC[N@@H+]1CCC[C@H]1C(=O)OC 34413108 343118687 /nfs/dbraw/zinc/11/86/87/343118687.db2.gz FVBCRZVXOZFXND-QMMMGPOBSA-N 1 0 171.240 1.034 20 0 ADADRO CC1(C)Oc2ccsc2[C@@H]([NH3+])[C@@H]1O 34420532 343118894 /nfs/dbraw/zinc/11/88/94/343118894.db2.gz XKGVOPVKKXUCIE-SVRRBLITSA-N 1 0 199.275 1.280 20 0 ADADRO CC1(C)Oc2ccsc2[C@H]([NH3+])[C@H]1O 34420534 343118931 /nfs/dbraw/zinc/11/89/31/343118931.db2.gz XKGVOPVKKXUCIE-POYBYMJQSA-N 1 0 199.275 1.280 20 0 ADADRO C[NH+](C)CC[C@@H](O)c1ccsc1 34432636 343119356 /nfs/dbraw/zinc/11/93/56/343119356.db2.gz HKVIPLMMUMBSKB-SECBINFHSA-N 1 0 185.292 1.733 20 0 in-vitro ADADRO Cc1cccc(C[NH+]2CCCC2)n1 34474906 343119796 /nfs/dbraw/zinc/11/97/96/343119796.db2.gz UWGGDBZLFAXETC-UHFFFAOYSA-N 1 0 176.263 1.986 20 0 ADADRO CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 34490601 343119985 /nfs/dbraw/zinc/11/99/85/343119985.db2.gz QPFIZCJPVXVHDY-JTQLQIEISA-N 1 0 196.294 1.093 20 0 ADADRO CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 34490602 343120084 /nfs/dbraw/zinc/12/00/84/343120084.db2.gz QPFIZCJPVXVHDY-SNVBAGLBSA-N 1 0 196.294 1.093 20 0 ADADRO Cc1cccnc1C[NH+]1CCCC1 34491464 343120302 /nfs/dbraw/zinc/12/03/02/343120302.db2.gz OSUGRSGEWQQRPY-UHFFFAOYSA-N 1 0 176.263 1.986 20 0 ADADRO CCC[N@@H+]1CCC[C@H]1CN1CCCC1 34585822 343122455 /nfs/dbraw/zinc/12/24/55/343122455.db2.gz SBTHRZRERPWBNT-LBPRGKRZSA-N 1 0 196.338 1.957 20 0 ADADRO C[N@@H+]1CCC[C@]2(CCCCC2=O)C1 34622151 343123719 /nfs/dbraw/zinc/12/37/19/343123719.db2.gz VVUPBTYBISODDL-LLVKDONJSA-N 1 0 181.279 1.842 20 0 ADADRO C[N@@H+]1CCC[C@@]2(CCCCC2=O)C1 34622152 343123781 /nfs/dbraw/zinc/12/37/81/343123781.db2.gz VVUPBTYBISODDL-NSHDSACASA-N 1 0 181.279 1.842 20 0 ADADRO C[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 34651121 343124267 /nfs/dbraw/zinc/12/42/67/343124267.db2.gz RXJNISQQRDDOIT-OPRDCNLKSA-N 1 0 198.310 1.147 20 0 ADADRO C1CCC(CC[NH+]2CCOCC2)C1 34876208 343125407 /nfs/dbraw/zinc/12/54/07/343125407.db2.gz FNWDAFLRCJDSMT-UHFFFAOYSA-N 1 0 183.295 1.899 20 0 ADADRO CC(C)[NH2+]CCCn1ccnc1 34937912 343125871 /nfs/dbraw/zinc/12/58/71/343125871.db2.gz ZHNRSWUGZCPKGQ-UHFFFAOYSA-N 1 0 167.256 1.271 20 0 ADADRO CC(C)NC(=O)[C@@H](C)[NH2+]C1CCCC1 34937188 343125888 /nfs/dbraw/zinc/12/58/88/343125888.db2.gz ZOQYQZOEEJMUDM-SECBINFHSA-N 1 0 198.310 1.432 20 0 ADADRO C[C@H]1CCC[C@H](C)C1[NH2+]CCO 34937273 343125904 /nfs/dbraw/zinc/12/59/04/343125904.db2.gz UTBFCEMJSMESMT-IUCAKERBSA-N 1 0 171.284 1.393 20 0 ADADRO Cc1ccc(C[NH2+]CCO)c(C)c1 34937269 343125942 /nfs/dbraw/zinc/12/59/42/343125942.db2.gz FEOUGMLYAHWBII-UHFFFAOYSA-N 1 0 179.263 1.385 20 0 ADADRO CC(C)NC(=O)[C@H](C)[NH2+]C1CCCC1 34937189 343126067 /nfs/dbraw/zinc/12/60/67/343126067.db2.gz ZOQYQZOEEJMUDM-VIFPVBQESA-N 1 0 198.310 1.432 20 0 ADADRO Cc1cc2ccccn2c1C[NH3+] 34936154 343126153 /nfs/dbraw/zinc/12/61/53/343126153.db2.gz GWVLCKBWARLAQL-UHFFFAOYSA-N 1 0 160.220 1.706 20 0 ADADRO C[C@H]([NH2+]CC1CC1)C(=O)NC(C)(C)C 34939917 343126492 /nfs/dbraw/zinc/12/64/92/343126492.db2.gz BXXPTAKMOKZYBE-QMMMGPOBSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@H](C)[NH2+]CCCn1ccnc1 34958076 343126526 /nfs/dbraw/zinc/12/65/26/343126526.db2.gz LTTHGOPUFBSSPY-JTQLQIEISA-N 1 0 181.283 1.661 20 0 ADADRO Cc1ccc([C@H](C)[NH2+]CCO)o1 34973724 343126658 /nfs/dbraw/zinc/12/66/58/343126658.db2.gz YYSAPFYGIBTHCK-QMMMGPOBSA-N 1 0 169.224 1.231 20 0 ADADRO Cc1ccc([C@@H](C)[NH2+]CCO)o1 34973722 343126663 /nfs/dbraw/zinc/12/66/63/343126663.db2.gz YYSAPFYGIBTHCK-MRVPVSSYSA-N 1 0 169.224 1.231 20 0 ADADRO C[C@H]([NH2+]CCO)c1cccs1 34973726 343126694 /nfs/dbraw/zinc/12/66/94/343126694.db2.gz DTZDWMBEOJORIO-ZETCQYMHSA-N 1 0 171.265 1.391 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)OC 34961187 343126720 /nfs/dbraw/zinc/12/67/20/343126720.db2.gz ULSUALAKWLTVPQ-BDAKNGLRSA-N 1 0 187.283 1.574 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)OC 34961189 343126731 /nfs/dbraw/zinc/12/67/31/343126731.db2.gz ULSUALAKWLTVPQ-IUCAKERBSA-N 1 0 187.283 1.574 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)OC 34961182 343126746 /nfs/dbraw/zinc/12/67/46/343126746.db2.gz ULSUALAKWLTVPQ-RKDXNWHRSA-N 1 0 187.283 1.574 20 0 ADADRO Cc1ccc([C@H](C)[NH2+]CCO)s1 34973721 343126747 /nfs/dbraw/zinc/12/67/47/343126747.db2.gz GLHBGVYGDXFBJP-QMMMGPOBSA-N 1 0 185.292 1.699 20 0 ADADRO CCC[NH2+]Cc1scnc1C 34977674 343126998 /nfs/dbraw/zinc/12/69/98/343126998.db2.gz ORGLLPXRNUXHNU-UHFFFAOYSA-N 1 0 170.281 1.951 20 0 ADADRO CCCC[N@H+](C)CC(C)=O 34989484 343127021 /nfs/dbraw/zinc/12/70/21/343127021.db2.gz JJXTURKMOVWADS-UHFFFAOYSA-N 1 0 143.230 1.307 20 0 ADADRO Cc1ccc(C[NH2+]C(C)C)cn1 34977707 343127029 /nfs/dbraw/zinc/12/70/29/343127029.db2.gz KUJVPTTXJVZVAY-UHFFFAOYSA-N 1 0 164.252 1.888 20 0 ADADRO CCCC[N@H+](CC)CC(C)=O 34989933 343127046 /nfs/dbraw/zinc/12/70/46/343127046.db2.gz ZDIREMMOZZJMQY-UHFFFAOYSA-N 1 0 157.257 1.697 20 0 ADADRO Cc1ccc(C[NH2+]CCCO)cc1C 34990917 343127062 /nfs/dbraw/zinc/12/70/62/343127062.db2.gz RWMDMHRPKRTWQS-UHFFFAOYSA-N 1 0 193.290 1.775 20 0 ADADRO Cc1ccc(C[NH2+]C[C@@H](C)O)cc1C 34991569 343127066 /nfs/dbraw/zinc/12/70/66/343127066.db2.gz YFCMMYPPRHQZQF-LLVKDONJSA-N 1 0 193.290 1.774 20 0 ADADRO CCCC[NH2+]C1CCN(C(C)=O)CC1 34994623 343127097 /nfs/dbraw/zinc/12/70/97/343127097.db2.gz IKFHBSMRCSXPRN-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO C[C@@]1([NH3+])CCCC[C@H]1c1c[nH]cn1 34984413 343127115 /nfs/dbraw/zinc/12/71/15/343127115.db2.gz QRPSMQORRBAFIK-WCBMZHEXSA-N 1 0 179.267 1.785 20 0 ADADRO CC[C@H]1CCCC[N@@H+]1CC(C)=O 34988639 343127133 /nfs/dbraw/zinc/12/71/33/343127133.db2.gz WREONFOUCZOBED-JTQLQIEISA-N 1 0 169.268 1.840 20 0 ADADRO CC[C@H](C)[NH2+]C1CCN(C(C)=O)CC1 34994235 343127203 /nfs/dbraw/zinc/12/72/03/343127203.db2.gz UCFWBTYXTZCCNG-VIFPVBQESA-N 1 0 198.310 1.385 20 0 ADADRO CC[C@@H]1CCCC[N@@H+]1CC(C)=O 34988637 343127216 /nfs/dbraw/zinc/12/72/16/343127216.db2.gz WREONFOUCZOBED-SNVBAGLBSA-N 1 0 169.268 1.840 20 0 ADADRO CCC[NH2+]Cc1ccc(C(=O)OC)o1 34981278 343127223 /nfs/dbraw/zinc/12/72/23/343127223.db2.gz XNOCUQNPRCZSRN-UHFFFAOYSA-N 1 0 197.234 1.566 20 0 ADADRO Cc1ccc(C[NH2+]CCO)cc1C 34994558 343127264 /nfs/dbraw/zinc/12/72/64/343127264.db2.gz 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194.278 1.454 20 0 ADADRO COC[C@H](C)C[NH2+]Cc1ccc(C)o1 44478335 343266220 /nfs/dbraw/zinc/26/62/20/343266220.db2.gz LNDAALZJZJRIQD-SECBINFHSA-N 1 0 197.278 1.960 20 0 ADADRO COC[C@H](C)C[NH2+]Cc1c[nH]nc1C 44477961 343266259 /nfs/dbraw/zinc/26/62/59/343266259.db2.gz BXFRTDFUEHSRAT-MRVPVSSYSA-N 1 0 197.282 1.090 20 0 ADADRO COC[C@H](C)C[NH2+]CCC(C)C 44478029 343266281 /nfs/dbraw/zinc/26/62/81/343266281.db2.gz XEFRYHCTFQWPIN-SNVBAGLBSA-N 1 0 173.300 1.905 20 0 ADADRO COC[C@@H](C)C[NH2+]Cc1c[nH]nc1C 44477963 343266302 /nfs/dbraw/zinc/26/63/02/343266302.db2.gz BXFRTDFUEHSRAT-QMMMGPOBSA-N 1 0 197.282 1.090 20 0 ADADRO COC[C@H](C)C[NH2+]Cc1cccnc1 44478299 343266313 /nfs/dbraw/zinc/26/63/13/343266313.db2.gz GBIZPUIAKKOEHL-SNVBAGLBSA-N 1 0 194.278 1.454 20 0 ADADRO COC[C@@H](C)C[NH2+]CCC(C)C 44478031 343266340 /nfs/dbraw/zinc/26/63/40/343266340.db2.gz XEFRYHCTFQWPIN-JTQLQIEISA-N 1 0 173.300 1.905 20 0 ADADRO COC[C@@H](C)C[NH2+]Cc1ccc(C)o1 44478337 343266374 /nfs/dbraw/zinc/26/63/74/343266374.db2.gz LNDAALZJZJRIQD-VIFPVBQESA-N 1 0 197.278 1.960 20 0 ADADRO Cc1n[nH]cc1C[NH2+]C1CCC1 44481840 343266662 /nfs/dbraw/zinc/26/66/62/343266662.db2.gz NKVHRTNYWHBUNJ-UHFFFAOYSA-N 1 0 165.240 1.360 20 0 ADADRO C[C@H]([NH2+]C1CCC1)[C@@H]1CCCO1 44480531 343266756 /nfs/dbraw/zinc/26/67/56/343266756.db2.gz HVIAKOKIOCMOKJ-WPRPVWTQSA-N 1 0 169.268 1.696 20 0 ADADRO C[C@H]([NH2+]C1CCC1)[C@H]1CCCO1 44480535 343266786 /nfs/dbraw/zinc/26/67/86/343266786.db2.gz HVIAKOKIOCMOKJ-WCBMZHEXSA-N 1 0 169.268 1.696 20 0 ADADRO CC[C@H](C)[NH+]1CCC(CO)CC1 50104674 343278278 /nfs/dbraw/zinc/27/82/78/343278278.db2.gz ODOQQTSTCAABKJ-VIFPVBQESA-N 1 0 171.284 1.489 20 0 ADADRO CC[C@H](C)C(=O)N1CCCC[C@H]1C[NH3+] 44541285 343267715 /nfs/dbraw/zinc/26/77/15/343267715.db2.gz XVDAAWYALLPJEP-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO CCCC(=O)N1CCCC[C@@H]1C[NH3+] 44541804 343267751 /nfs/dbraw/zinc/26/77/51/343267751.db2.gz VYZUONQDNSNCFQ-SECBINFHSA-N 1 0 184.283 1.126 20 0 ADADRO CC[C@H](C)C(=O)N1CCCC[C@@H]1C[NH3+] 44541281 343267759 /nfs/dbraw/zinc/26/77/59/343267759.db2.gz XVDAAWYALLPJEP-VHSXEESVSA-N 1 0 198.310 1.372 20 0 ADADRO Cc1cc(C[NH2+][C@@H]2CCSC2)no1 44692191 343267967 /nfs/dbraw/zinc/26/79/67/343267967.db2.gz AHUGRCFFBCJRIA-MRVPVSSYSA-N 1 0 198.291 1.578 20 0 ADADRO Cc1cc(C[NH2+][C@H]2CCSC2)no1 44692193 343267994 /nfs/dbraw/zinc/26/79/94/343267994.db2.gz AHUGRCFFBCJRIA-QMMMGPOBSA-N 1 0 198.291 1.578 20 0 ADADRO CC(C)[NH2+][C@H]1CCN(C2CC2)C1 44684512 343268050 /nfs/dbraw/zinc/26/80/50/343268050.db2.gz MADWFSXHPUUELI-VIFPVBQESA-N 1 0 168.284 1.221 20 0 ADADRO CC(C)[NH2+][C@@H]1CCN(C2CC2)C1 44684509 343268069 /nfs/dbraw/zinc/26/80/69/343268069.db2.gz MADWFSXHPUUELI-SECBINFHSA-N 1 0 168.284 1.221 20 0 ADADRO C[C@H](C[NH3+])C(=O)Nc1ccc(F)cc1 44794093 343268941 /nfs/dbraw/zinc/26/89/41/343268941.db2.gz UPMTUMSDZXUSFD-SSDOTTSWSA-N 1 0 196.225 1.359 20 0 ADADRO C[C@H]1CCCCN1C(=O)C(C)(C)C[NH3+] 44751214 343268985 /nfs/dbraw/zinc/26/89/85/343268985.db2.gz JGCJYCPGRDIBIJ-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO CN(C(=O)C1(C[NH3+])CCCC1)C1CC1 44762443 343268996 /nfs/dbraw/zinc/26/89/96/343268996.db2.gz PCUPBJRZXSJQBB-UHFFFAOYSA-N 1 0 196.294 1.126 20 0 ADADRO C[C@H](C[NH3+])C(=O)Nc1ccccc1 44795308 343269011 /nfs/dbraw/zinc/26/90/11/343269011.db2.gz CPBZYYOUINLDHZ-MRVPVSSYSA-N 1 0 178.235 1.220 20 0 ADADRO C[C@H](C[NH3+])C(=O)Nc1cccc(F)c1 44794061 343269014 /nfs/dbraw/zinc/26/90/14/343269014.db2.gz DMCFTNULQZUCAP-SSDOTTSWSA-N 1 0 196.225 1.359 20 0 ADADRO C[C@H](C[NH3+])C(=O)Nc1ccccc1F 44794225 343269048 /nfs/dbraw/zinc/26/90/48/343269048.db2.gz YDLXSRVNVVSPPO-SSDOTTSWSA-N 1 0 196.225 1.359 20 0 ADADRO CC1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 44796569 343269216 /nfs/dbraw/zinc/26/92/16/343269216.db2.gz VFOFBWROHLUDOZ-KYHHOPLUSA-N 1 0 198.310 1.276 20 0 ADADRO CCC1CCN(C(=O)[C@@H](C)C[NH3+])CC1 44804252 343269242 /nfs/dbraw/zinc/26/92/42/343269242.db2.gz GPAYCPAADIGZQN-VIFPVBQESA-N 1 0 198.310 1.230 20 0 ADADRO C[C@H](C[NH3+])C(=O)NC1CCCCCC1 44800236 343269247 /nfs/dbraw/zinc/26/92/47/343269247.db2.gz LHMRQOHIFOJMMD-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 44802141 343269309 /nfs/dbraw/zinc/26/93/09/343269309.db2.gz JYLAOAZWAIWVKK-ZJUUUORDSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@H]1CCCCN1C(=O)[C@H](C)C[NH3+] 44800420 343269325 /nfs/dbraw/zinc/26/93/25/343269325.db2.gz AAUSTWCTJOVQHQ-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO Cc1cccc(NC(=O)[C@@H](C)C[NH3+])c1 44796603 343269369 /nfs/dbraw/zinc/26/93/69/343269369.db2.gz PILIYXIOLGDULO-VIFPVBQESA-N 1 0 192.262 1.528 20 0 ADADRO CC[C@@H]1CCCN(C(=O)[C@@H](C)C[NH3+])C1 44802135 343269372 /nfs/dbraw/zinc/26/93/72/343269372.db2.gz JYLAOAZWAIWVKK-VHSXEESVSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH3+] 44800414 343269406 /nfs/dbraw/zinc/26/94/06/343269406.db2.gz AAUSTWCTJOVQHQ-VHSXEESVSA-N 1 0 198.310 1.372 20 0 ADADRO Cc1cccc(NC(=O)[C@H](C)C[NH3+])c1 44796606 343269409 /nfs/dbraw/zinc/26/94/09/343269409.db2.gz PILIYXIOLGDULO-SECBINFHSA-N 1 0 192.262 1.528 20 0 ADADRO CC[C@@H]1CCCN(C(=O)[C@H](C)C[NH3+])C1 44802139 343269435 /nfs/dbraw/zinc/26/94/35/343269435.db2.gz JYLAOAZWAIWVKK-NXEZZACHSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@H]1CCCCN1C(=O)[C@@H](C)C[NH3+] 44800416 343269460 /nfs/dbraw/zinc/26/94/60/343269460.db2.gz AAUSTWCTJOVQHQ-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H]1CCCCN1C(=O)[C@H](C)C[NH3+] 44800418 343269473 /nfs/dbraw/zinc/26/94/73/343269473.db2.gz AAUSTWCTJOVQHQ-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO Cc1cc(C[NH2+][C@H]2CCSC2)on1 44985434 343270051 /nfs/dbraw/zinc/27/00/51/343270051.db2.gz HGBZLXRSERAKTF-QMMMGPOBSA-N 1 0 198.291 1.578 20 0 ADADRO COCC[C@H](C)[NH2+]CC1CC1 45017305 343270140 /nfs/dbraw/zinc/27/01/40/343270140.db2.gz DSNOISBTQWEYFB-QMMMGPOBSA-N 1 0 157.257 1.411 20 0 ADADRO Cc1cc(C[NH2+][C@@H]2CCSC2)on1 44985431 343270155 /nfs/dbraw/zinc/27/01/55/343270155.db2.gz HGBZLXRSERAKTF-MRVPVSSYSA-N 1 0 198.291 1.578 20 0 ADADRO COCC[C@H](C)[NH2+]Cc1ccco1 45017211 343270191 /nfs/dbraw/zinc/27/01/91/343270191.db2.gz XGROXRVARQDMDV-VIFPVBQESA-N 1 0 183.251 1.794 20 0 ADADRO COCC[C@@H](C)[NH2+]Cc1cccnc1 45018544 343270527 /nfs/dbraw/zinc/27/05/27/343270527.db2.gz UOQQRMSULMXDBV-SNVBAGLBSA-N 1 0 194.278 1.596 20 0 ADADRO CC1(NC(=O)CC[NH3+])CCCCC1 45046222 343270438 /nfs/dbraw/zinc/27/04/38/343270438.db2.gz PXKDTZUWBDNKMF-UHFFFAOYSA-N 1 0 184.283 1.174 20 0 ADADRO C[C@H]([NH3+])C(=O)NC1(C)CCCCC1 45046932 343270560 /nfs/dbraw/zinc/27/05/60/343270560.db2.gz SDOGIZKTPHEFLP-QMMMGPOBSA-N 1 0 184.283 1.173 20 0 ADADRO CC[C@H]([NH3+])C(=O)NC1(C)CCCCC1 45046990 343270604 /nfs/dbraw/zinc/27/06/04/343270604.db2.gz URQAFZWHPSEBKK-VIFPVBQESA-N 1 0 198.310 1.563 20 0 ADADRO COCC[C@H](C)[NH2+]Cc1cccnc1 45018542 343270625 /nfs/dbraw/zinc/27/06/25/343270625.db2.gz UOQQRMSULMXDBV-JTQLQIEISA-N 1 0 194.278 1.596 20 0 ADADRO COCC[C@@H](C)[NH2+]CC1CC1 45017307 343270626 /nfs/dbraw/zinc/27/06/26/343270626.db2.gz DSNOISBTQWEYFB-MRVPVSSYSA-N 1 0 157.257 1.411 20 0 ADADRO C[N@H+](CCCO)CC(C)(C)C 45086047 343271115 /nfs/dbraw/zinc/27/11/15/343271115.db2.gz VHGRHGTXAGUFQL-UHFFFAOYSA-N 1 0 159.273 1.347 20 0 ADADRO CC1(C)C[C@@H]1[NH2+]Cc1cc[nH]n1 45117141 343271131 /nfs/dbraw/zinc/27/11/31/343271131.db2.gz HRURJTFLJKVEFM-QMMMGPOBSA-N 1 0 165.240 1.298 20 0 ADADRO C[N@H+](CCCCO)CC(C)(C)C 45086043 343271216 /nfs/dbraw/zinc/27/12/16/343271216.db2.gz ZLTRHSONAAADFO-UHFFFAOYSA-N 1 0 173.300 1.737 20 0 ADADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCSC1 45115424 343271251 /nfs/dbraw/zinc/27/12/51/343271251.db2.gz YQCHQZBDLXGNIR-YUMQZZPRSA-N 1 0 171.309 1.880 20 0 ADADRO CC1(C)C[C@H]1[NH2+][C@H]1CCSC1 45115426 343271264 /nfs/dbraw/zinc/27/12/64/343271264.db2.gz YQCHQZBDLXGNIR-JGVFFNPUSA-N 1 0 171.309 1.880 20 0 ADADRO CC1(C)C[C@H]1[NH2+][C@@H]1CCSC1 45115422 343271266 /nfs/dbraw/zinc/27/12/66/343271266.db2.gz YQCHQZBDLXGNIR-HTQZYQBOSA-N 1 0 171.309 1.880 20 0 ADADRO CC1(C)C[C@@H]1[NH2+]C1CCOCC1 45117003 343271268 /nfs/dbraw/zinc/27/12/68/343271268.db2.gz CZYPLUQWEQSWKR-VIFPVBQESA-N 1 0 169.268 1.554 20 0 ADADRO CC[C@H](O)C[N@H+](C)CC(C)(C)C 45086065 343271272 /nfs/dbraw/zinc/27/12/72/343271272.db2.gz CFOYQTMGRVLHOB-VIFPVBQESA-N 1 0 173.300 1.735 20 0 ADADRO CCn1ccnc1C[NH2+]CC1CC1 45205659 343271618 /nfs/dbraw/zinc/27/16/18/343271618.db2.gz OLXUCFIPQPFKPX-UHFFFAOYSA-N 1 0 179.267 1.403 20 0 ADADRO CC(C)NC(=O)CC[NH2+]C1CCCC1 47889413 343273618 /nfs/dbraw/zinc/27/36/18/343273618.db2.gz YFDJOYPKDSECFG-UHFFFAOYSA-N 1 0 198.310 1.433 20 0 ADADRO CCC[NH+]1CCC(C(=O)OC)CC1 48068314 343273647 /nfs/dbraw/zinc/27/36/47/343273647.db2.gz NQPKQLSOJSFVFX-UHFFFAOYSA-N 1 0 185.267 1.281 20 0 ADADRO COC(=O)C[N@H+](CC(C)C)C(C)C 48065657 343273673 /nfs/dbraw/zinc/27/36/73/343273673.db2.gz LMWGTDNMWRIRRO-UHFFFAOYSA-N 1 0 187.283 1.526 20 0 ADADRO COC(=O)[C@@H](C)C[N@H+](C)CC=C(C)C 48336025 343273927 /nfs/dbraw/zinc/27/39/27/343273927.db2.gz KIROTGAGSYYQSC-JTQLQIEISA-N 1 0 199.294 1.694 20 0 ADADRO COC(=O)[C@H](C)C[N@H+](C)CC=C(C)C 48336027 343273958 /nfs/dbraw/zinc/27/39/58/343273958.db2.gz KIROTGAGSYYQSC-SNVBAGLBSA-N 1 0 199.294 1.694 20 0 ADADRO Cc1nccn1CC[NH2+]CC(C)(C)C 49330320 343274890 /nfs/dbraw/zinc/27/48/90/343274890.db2.gz FCJQOIZRGFMOFK-UHFFFAOYSA-N 1 0 195.310 1.827 20 0 ADADRO CCCCOCC[NH2+][C@H](C)COC 49261830 343274985 /nfs/dbraw/zinc/27/49/85/343274985.db2.gz OYXOZGFBMYNUGY-SNVBAGLBSA-N 1 0 189.299 1.428 20 0 ADADRO CCC[N@@H+]1CCCC[C@@H]1CC(=O)OC 48739153 343275009 /nfs/dbraw/zinc/27/50/09/343275009.db2.gz PNTCKPYVCYLQDD-SNVBAGLBSA-N 1 0 199.294 1.814 20 0 ADADRO C[C@@H]1CCC[C@@H]([NH2+]CCCO)[C@@H]1C 48694530 343275089 /nfs/dbraw/zinc/27/50/89/343275089.db2.gz AUQHOVPLTMLBFH-GMTAPVOTSA-N 1 0 185.311 1.783 20 0 ADADRO Cc1nccn1CC[NH2+]C1CCCC1 49329687 343275108 /nfs/dbraw/zinc/27/51/08/343275108.db2.gz VDKNBIONSHVYTF-UHFFFAOYSA-N 1 0 193.294 1.724 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]CCCO)[C@@H]1C 48694526 343275193 /nfs/dbraw/zinc/27/51/93/343275193.db2.gz AUQHOVPLTMLBFH-MXWKQRLJSA-N 1 0 185.311 1.783 20 0 ADADRO 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/nfs/dbraw/zinc/33/06/17/343330617.db2.gz WUXMDAIIZCBAKG-UHFFFAOYSA-N 1 0 194.282 1.042 20 0 ADADRO CCC[C@H](CC)[NH2+]Cc1cn(C)nn1 54861118 343330718 /nfs/dbraw/zinc/33/07/18/343330718.db2.gz LMWMPTXKKLQXNG-VIFPVBQESA-N 1 0 196.298 1.483 20 0 ADADRO CCC[C@@H](CC)[NH2+]Cc1cn(C)nn1 54861115 343330783 /nfs/dbraw/zinc/33/07/83/343330783.db2.gz LMWMPTXKKLQXNG-SECBINFHSA-N 1 0 196.298 1.483 20 0 ADADRO CC(C)CCC[NH2+]Cc1cn(C)nn1 54860788 343330890 /nfs/dbraw/zinc/33/08/90/343330890.db2.gz FQDDDFRFZOBIOA-UHFFFAOYSA-N 1 0 196.298 1.341 20 0 ADADRO CC(C)c1nnc(CC[NH3+])s1 58518469 343339991 /nfs/dbraw/zinc/33/99/91/343339991.db2.gz ZNVFAPPTMRCUQY-UHFFFAOYSA-N 1 0 171.269 1.163 20 0 in-vitro ADADRO CC(C)SC1C[NH2+]C1 54931807 343331369 /nfs/dbraw/zinc/33/13/69/343331369.db2.gz NIWVNVCSIWSDPA-UHFFFAOYSA-N 1 0 131.244 1.100 20 0 ADADRO Cc1cccc(CN(C)C2C[NH2+]C2)c1 54931622 343331424 /nfs/dbraw/zinc/33/14/24/343331424.db2.gz WJSPKYJMGXVPOA-UHFFFAOYSA-N 1 0 190.290 1.399 20 0 ADADRO 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/nfs/dbraw/zinc/33/33/68/343333368.db2.gz RQAVDJUDBFCXOP-SECBINFHSA-N 1 0 157.257 1.003 20 0 ADADRO CC(C)[C@@](C)(O)C[NH2+]C1CCCC1 55030881 343333371 /nfs/dbraw/zinc/33/33/71/343333371.db2.gz WLZTWDWTDFROSJ-NSHDSACASA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@@H](C)[C@@H](O)C[NH2+]CC(C)C 55030285 343333386 /nfs/dbraw/zinc/33/33/86/343333386.db2.gz WJHSJLFDNXIYEW-ZJUUUORDSA-N 1 0 173.300 1.639 20 0 ADADRO CC(C)C[NH2+]C[C@](C)(O)C1CC1 55030075 343333392 /nfs/dbraw/zinc/33/33/92/343333392.db2.gz WOLPFKDGLTUTAC-JTQLQIEISA-N 1 0 171.284 1.393 20 0 ADADRO CC[C@](C)(O)C[NH2+]C1CCCC1 55031040 343333407 /nfs/dbraw/zinc/33/34/07/343333407.db2.gz WFGSOPCLWARJTH-JTQLQIEISA-N 1 0 171.284 1.680 20 0 ADADRO CCC[C@H](O)C[NH2+]CC(C)C 55030138 343333420 /nfs/dbraw/zinc/33/34/20/343333420.db2.gz XGRPSQYDTGQIGP-VIFPVBQESA-N 1 0 159.273 1.393 20 0 ADADRO CCC[C@@H](O)C[NH2+]CC(C)C 55030141 343333424 /nfs/dbraw/zinc/33/34/24/343333424.db2.gz XGRPSQYDTGQIGP-SECBINFHSA-N 1 0 159.273 1.393 20 0 ADADRO CCC[C@](C)(O)C[NH2+]CC(C)C 55030150 343333505 /nfs/dbraw/zinc/33/35/05/343333505.db2.gz IWDVMQPALLSLSA-JTQLQIEISA-N 1 0 173.300 1.783 20 0 ADADRO CC(C)[C@@H](O)C[NH2+]C1CCCC1 55030981 343333490 /nfs/dbraw/zinc/33/34/90/343333490.db2.gz WLWGCPQIDYOXLH-JTQLQIEISA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@H](C)[C@@H](O)C[NH2+]CC(C)C 55030287 343333511 /nfs/dbraw/zinc/33/35/11/343333511.db2.gz WJHSJLFDNXIYEW-UWVGGRQHSA-N 1 0 173.300 1.639 20 0 ADADRO CC[C@@](C)(O)C[NH2+]C1CCCC1 55031043 343333513 /nfs/dbraw/zinc/33/35/13/343333513.db2.gz WFGSOPCLWARJTH-SNVBAGLBSA-N 1 0 171.284 1.680 20 0 ADADRO CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 55087026 343333613 /nfs/dbraw/zinc/33/36/13/343333613.db2.gz VMVCLRKDPXJTBM-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)N(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] 55086188 343333634 /nfs/dbraw/zinc/33/36/34/343333634.db2.gz ZGDWYVVKZHJUJC-VHSXEESVSA-N 1 0 198.310 1.371 20 0 ADADRO CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 55085847 343333638 /nfs/dbraw/zinc/33/36/38/343333638.db2.gz BFOXWZVUKSAVFJ-DTWKUNHWSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 55086194 343333670 /nfs/dbraw/zinc/33/36/70/343333670.db2.gz SGBLNIGOKMFFHG-VHSXEESVSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] 55122033 343333698 /nfs/dbraw/zinc/33/36/98/343333698.db2.gz JVIQHDBGYHWOOY-ZJUUUORDSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 55086193 343333731 /nfs/dbraw/zinc/33/37/31/343333731.db2.gz SGBLNIGOKMFFHG-NXEZZACHSA-N 1 0 198.310 1.371 20 0 ADADRO CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 55087022 343333736 /nfs/dbraw/zinc/33/37/36/343333736.db2.gz VMVCLRKDPXJTBM-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO O[C@@H](C[NH2+]Cc1ccccc1)C1CC1 55063287 343333742 /nfs/dbraw/zinc/33/37/42/343333742.db2.gz ZEAKUTJJGOMOCM-LBPRGKRZSA-N 1 0 191.274 1.547 20 0 ADADRO CC(C)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] 55122035 343333776 /nfs/dbraw/zinc/33/37/76/343333776.db2.gz JVIQHDBGYHWOOY-NXEZZACHSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] 55122034 343333789 /nfs/dbraw/zinc/33/37/89/343333789.db2.gz JVIQHDBGYHWOOY-VHSXEESVSA-N 1 0 198.310 1.419 20 0 ADADRO CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 55085841 343333791 /nfs/dbraw/zinc/33/37/91/343333791.db2.gz BFOXWZVUKSAVFJ-BDAKNGLRSA-N 1 0 184.283 1.030 20 0 ADADRO O[C@H](C[NH2+]Cc1ccccc1)C1CC1 55063289 343333809 /nfs/dbraw/zinc/33/38/09/343333809.db2.gz ZEAKUTJJGOMOCM-GFCCVEGCSA-N 1 0 191.274 1.547 20 0 ADADRO CC(C)N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] 55086183 343333825 /nfs/dbraw/zinc/33/38/25/343333825.db2.gz ZGDWYVVKZHJUJC-ZJUUUORDSA-N 1 0 198.310 1.371 20 0 ADADRO CC[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] 55085941 343333863 /nfs/dbraw/zinc/33/38/63/343333863.db2.gz VDURYUQZHMFRSO-AEJSXWLSSA-N 1 0 198.310 1.419 20 0 ADADRO COC(=O)C[N@H+](C)[C@H](C)CC(C)C 55483471 343336200 /nfs/dbraw/zinc/33/62/00/343336200.db2.gz XMNCACZJGLNAJR-SECBINFHSA-N 1 0 187.283 1.526 20 0 ADADRO COC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C 55483442 343336334 /nfs/dbraw/zinc/33/63/34/343336334.db2.gz DLKXFTNZVCIMPK-QMMMGPOBSA-N 1 0 187.283 1.526 20 0 ADADRO [NH3+][C@@H]1CCC[C@@H]2[C@H]1C2(F)F 57218831 343336694 /nfs/dbraw/zinc/33/66/94/343336694.db2.gz KMCWIAYQAMMYGR-HSUXUTPPSA-N 1 0 147.168 1.379 20 0 ADADRO [NH3+][C@@H]1CCC[C@H]2[C@@H]1C2(F)F 57218832 343336702 /nfs/dbraw/zinc/33/67/02/343336702.db2.gz KMCWIAYQAMMYGR-JKUQZMGJSA-N 1 0 147.168 1.379 20 0 ADADRO C[C@H](C(N)=O)[NH+]1CCCCCCC1 57407012 343336922 /nfs/dbraw/zinc/33/69/22/343336922.db2.gz NJTKSXIWOLIGQP-SECBINFHSA-N 1 0 184.283 1.126 20 0 ADADRO c1cc(C[NH2+]Cc2ccoc2)ccn1 57998250 343338577 /nfs/dbraw/zinc/33/85/77/343338577.db2.gz CSTIGVUGDWQEBU-UHFFFAOYSA-N 1 0 188.230 1.964 20 0 ADADRO CC[NH2+][C@@H](C)CC(=O)N(CC)CC 58100027 343338830 /nfs/dbraw/zinc/33/88/30/343338830.db2.gz JCHOOBJNYYOMQG-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO CC[NH2+][C@H](C)CC(=O)N(CC)CC 58100036 343339137 /nfs/dbraw/zinc/33/91/37/343339137.db2.gz 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/nfs/dbraw/zinc/34/64/38/343346438.db2.gz ZHAGFDCJSHNKQN-UHFFFAOYSA-N 1 0 123.146 1.379 20 0 ADADRO [NH3+]CCn1ccc2cc(F)ccc21 59731361 343347059 /nfs/dbraw/zinc/34/70/59/343347059.db2.gz UEPNGPGBALZHNM-UHFFFAOYSA-N 1 0 178.210 1.739 20 0 ADADRO CCC[N@@H+]1CC[C@H](O)C(C)(C)C1 59715919 343347278 /nfs/dbraw/zinc/34/72/78/343347278.db2.gz NHNJCCIPQIRKOJ-VIFPVBQESA-N 1 0 171.284 1.489 20 0 ADADRO CC[NH+](CC)CC1(C)COC1 59817301 343348013 /nfs/dbraw/zinc/34/80/13/343348013.db2.gz MGSOXRYRSDTZGP-UHFFFAOYSA-N 1 0 157.257 1.365 20 0 ADADRO CC1(C)CC(=O)N[C@H]2CCCC[C@H]2[NH2+]1 59996674 343349478 /nfs/dbraw/zinc/34/94/78/343349478.db2.gz HERSNCSJFDWFTA-DTWKUNHWSA-N 1 0 196.294 1.186 20 0 ADADRO CC1(C)CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]1 59996673 343349547 /nfs/dbraw/zinc/34/95/47/343349547.db2.gz HERSNCSJFDWFTA-RKDXNWHRSA-N 1 0 196.294 1.186 20 0 ADADRO CC1(C)CC(=O)N[C@@H]2CCCC[C@@H]2[NH2+]1 59996670 343349847 /nfs/dbraw/zinc/34/98/47/343349847.db2.gz HERSNCSJFDWFTA-BDAKNGLRSA-N 1 0 196.294 1.186 20 0 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/nfs/dbraw/zinc/35/82/38/343358238.db2.gz JKAVTLPBENHGSZ-UHFFFAOYSA-N 1 0 187.246 1.815 20 0 ADADRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C(N)=O 61676953 343358806 /nfs/dbraw/zinc/35/88/06/343358806.db2.gz OHWFQJFBFXCHMR-CIUDSAMLSA-N 1 0 186.299 1.275 20 0 ADADRO CCC(CC)[NH2+][C@H](CC)C(N)=O 61676261 343358865 /nfs/dbraw/zinc/35/88/65/343358865.db2.gz RUSKQHOIJURBEZ-MRVPVSSYSA-N 1 0 172.272 1.029 20 0 ADADRO CC[C@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 61679080 343358889 /nfs/dbraw/zinc/35/88/89/343358889.db2.gz MEYYAANKJMLEHS-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 61678924 343358930 /nfs/dbraw/zinc/35/89/30/343358930.db2.gz WFCVMQQAOKESRT-KXUCPTDWSA-N 1 0 198.310 1.228 20 0 ADADRO CC[C@H](C(N)=O)[NH+]1C[C@@H](C)C[C@H](C)C1 61678926 343358950 /nfs/dbraw/zinc/35/89/50/343358950.db2.gz WFCVMQQAOKESRT-LPEHRKFASA-N 1 0 198.310 1.228 20 0 ADADRO CC[C@H]([NH2+][C@H](C)[C@H](C)CC)C(N)=O 61676950 343359016 /nfs/dbraw/zinc/35/90/16/343359016.db2.gz OHWFQJFBFXCHMR-HLTSFMKQSA-N 1 0 186.299 1.275 20 0 ADADRO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 61678923 343359021 /nfs/dbraw/zinc/35/90/21/343359021.db2.gz WFCVMQQAOKESRT-AEJSXWLSSA-N 1 0 198.310 1.228 20 0 ADADRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CC)C1 61679079 343359030 /nfs/dbraw/zinc/35/90/30/343359030.db2.gz MEYYAANKJMLEHS-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)CC 61679025 343359039 /nfs/dbraw/zinc/35/90/39/343359039.db2.gz XEMCDAIASFYFCB-BDAKNGLRSA-N 1 0 186.299 1.228 20 0 ADADRO CCC(CC)[NH2+][C@@H](CC)C(N)=O 61676260 343359074 /nfs/dbraw/zinc/35/90/74/343359074.db2.gz RUSKQHOIJURBEZ-QMMMGPOBSA-N 1 0 172.272 1.029 20 0 ADADRO CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C(N)=O 61676951 343359174 /nfs/dbraw/zinc/35/91/74/343359174.db2.gz OHWFQJFBFXCHMR-YIZRAAEISA-N 1 0 186.299 1.275 20 0 ADADRO CCC1CC[NH+]([C@H](CC)C(N)=O)CC1 61679418 343359473 /nfs/dbraw/zinc/35/94/73/343359473.db2.gz GGFDTRKEBGGLOX-SNVBAGLBSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H](C(N)=O)[N@H+](C)CCC(C)C 61679409 343359575 /nfs/dbraw/zinc/35/95/75/343359575.db2.gz SMGRCJNUDDXPGE-VIFPVBQESA-N 1 0 186.299 1.228 20 0 ADADRO CC[C@H](C(N)=O)[N@H+](C)CCC(C)C 61679410 343359608 /nfs/dbraw/zinc/35/96/08/343359608.db2.gz SMGRCJNUDDXPGE-SECBINFHSA-N 1 0 186.299 1.228 20 0 ADADRO CC[C@@H](C(N)=O)[N@H+](C)CC(C)(C)C 61679471 343359670 /nfs/dbraw/zinc/35/96/70/343359670.db2.gz HERZSTOQVHDKRP-QMMMGPOBSA-N 1 0 186.299 1.228 20 0 ADADRO CCC1CC[NH+]([C@@H](CC)C(N)=O)CC1 61679417 343359750 /nfs/dbraw/zinc/35/97/50/343359750.db2.gz GGFDTRKEBGGLOX-JTQLQIEISA-N 1 0 198.310 1.372 20 0 ADADRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2)o1 61707818 343361188 /nfs/dbraw/zinc/36/11/88/343361188.db2.gz PNZDDAXJGDOUEB-VIFPVBQESA-N 1 0 181.235 1.155 20 0 ADADRO O[C@@H]1CC[N@H+](CC2CCCCC2)C1 61707956 343361375 /nfs/dbraw/zinc/36/13/75/343361375.db2.gz WRBMJBDTLQPDLG-LLVKDONJSA-N 1 0 183.295 1.633 20 0 ADADRO CC[C@H](C)C[N@@H+]1CC[C@H](O)C1 61708685 343362008 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196.319 1.994 20 0 ADADRO COC[C@@H](C)[NH2+]Cc1ccoc1 62103269 343370687 /nfs/dbraw/zinc/37/06/87/343370687.db2.gz GQSMYVPENMNSEI-MRVPVSSYSA-N 1 0 169.224 1.404 20 0 ADADRO COC[C@H](C)[NH2+]Cc1ccoc1 62103268 343370801 /nfs/dbraw/zinc/37/08/01/343370801.db2.gz GQSMYVPENMNSEI-QMMMGPOBSA-N 1 0 169.224 1.404 20 0 ADADRO CCC(CC)[C@@H]1C[NH2+]CCO1 62128514 343371690 /nfs/dbraw/zinc/37/16/90/343371690.db2.gz RBEAGKHPGPPBFB-VIFPVBQESA-N 1 0 157.257 1.411 20 0 ADADRO Cc1nnc([C@@H]2CC[NH2+]C2)n1C(C)C 62132730 343371868 /nfs/dbraw/zinc/37/18/68/343371868.db2.gz VBSHQVXPRNFNTK-SECBINFHSA-N 1 0 194.282 1.244 20 0 ADADRO CCC(CC)[C@H]1C[NH2+]CCO1 62128515 343371949 /nfs/dbraw/zinc/37/19/49/343371949.db2.gz RBEAGKHPGPPBFB-SECBINFHSA-N 1 0 157.257 1.411 20 0 ADADRO CC1(C)C(=O)Nc2ccc(C[NH3+])cc21 62200673 343372424 /nfs/dbraw/zinc/37/24/24/343372424.db2.gz RWUAYLKEKOTORC-UHFFFAOYSA-N 1 0 190.246 1.375 20 0 in-vitro ADADRO CCn1c(C)nc2cc(C[NH3+])ccc21 62213978 343372951 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183.295 1.944 20 0 ADADRO C[C@H]([NH2+][C@H]1CCOC1)C1CCCC1 69803955 343443585 /nfs/dbraw/zinc/44/35/85/343443585.db2.gz IBWNDTIJRYSSJO-ONGXEEELSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@H]([NH2+][C@H]1CCCNC1)C1CCCC1 69804261 343443602 /nfs/dbraw/zinc/44/36/02/343443602.db2.gz WHFUDYMJKLVCQU-JQWIXIFHSA-N 1 0 196.338 1.907 20 0 ADADRO CCn1c(=O)oc2cc(C[NH3+])ccc21 69803573 343443624 /nfs/dbraw/zinc/44/36/24/343443624.db2.gz HCWAADRQMMNBJY-UHFFFAOYSA-N 1 0 192.218 1.073 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCCNC1)C1CCCC1 69804249 343443837 /nfs/dbraw/zinc/44/38/37/343443837.db2.gz WHFUDYMJKLVCQU-CMPLNLGQSA-N 1 0 196.338 1.907 20 0 ADADRO Cn1nccc1[C@@H]1CCCCC[NH2+]1 69842011 343445208 /nfs/dbraw/zinc/44/52/08/343445208.db2.gz RJXZXGNQONWPPL-VIFPVBQESA-N 1 0 179.267 1.625 20 0 ADADRO Cn1nccc1[C@H]1CCCCC[NH2+]1 69842013 343445253 /nfs/dbraw/zinc/44/52/53/343445253.db2.gz RJXZXGNQONWPPL-SECBINFHSA-N 1 0 179.267 1.625 20 0 ADADRO CCC(=O)c1c[nH+]ccc1N 69844589 343446862 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CCC(=O)Nc1ccccc1C[NH3+] 70162321 343476172 /nfs/dbraw/zinc/47/61/72/343476172.db2.gz NCFJVVHEEOVOGX-UHFFFAOYSA-N 1 0 178.235 1.494 20 0 ADADRO CNC(=O)CCC[NH2+]C1CCCC1 70169102 343476727 /nfs/dbraw/zinc/47/67/27/343476727.db2.gz BKQCQWQLAGEACY-UHFFFAOYSA-N 1 0 184.283 1.045 20 0 ADADRO CSCC[NH2+]Cc1ccc(O)cc1 70183990 343476787 /nfs/dbraw/zinc/47/67/87/343476787.db2.gz RVOPBFGWPDFWAN-UHFFFAOYSA-N 1 0 197.303 1.845 20 0 ADADRO CSCC[NH2+]Cc1c(C)n[nH]c1C 70184926 343477071 /nfs/dbraw/zinc/47/70/71/343477071.db2.gz DSRCJCPQKWKWJB-UHFFFAOYSA-N 1 0 199.323 1.479 20 0 ADADRO CSCC[NH2+]C1CCSCC1 70184178 343477133 /nfs/dbraw/zinc/47/71/33/343477133.db2.gz MAGSULNNHPUOQO-UHFFFAOYSA-N 1 0 191.365 1.835 20 0 ADADRO CSCC[NH2+]Cc1cccc(O)c1 70184024 343477150 /nfs/dbraw/zinc/47/71/50/343477150.db2.gz CFNSPOLRGWQCTO-UHFFFAOYSA-N 1 0 197.303 1.845 20 0 ADADRO CCOC(=O)CC[N@H+](CC)CC1CC1 70185000 343477194 /nfs/dbraw/zinc/47/71/94/343477194.db2.gz STGBYTOSPBGCEJ-UHFFFAOYSA-N 1 0 199.294 1.672 20 0 ADADRO 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CCC[N@H+](C)C[C@@H](O)COC(C)C 70191462 343478445 /nfs/dbraw/zinc/47/84/45/343478445.db2.gz XGHCQNNHSMRFRC-SNVBAGLBSA-N 1 0 189.299 1.114 20 0 ADADRO CC[C@@H]([NH3+])C(=O)Nc1ccccc1O 70203962 343478743 /nfs/dbraw/zinc/47/87/43/343478743.db2.gz YDTBDYBZSLZUNQ-SSDOTTSWSA-N 1 0 194.234 1.068 20 0 ADADRO CCn1cc([C@@H]2CCC[NH2+]C2)cn1 70204357 343478864 /nfs/dbraw/zinc/47/88/64/343478864.db2.gz MXSPJIFSRXKQTG-SECBINFHSA-N 1 0 179.267 1.370 20 0 ADADRO [NH3+]CCCC(=O)Nc1ccccc1O 70203926 343478993 /nfs/dbraw/zinc/47/89/93/343478993.db2.gz QEFZQHXTJLQGCD-UHFFFAOYSA-N 1 0 194.234 1.070 20 0 ADADRO CC(=O)Nc1ccccc1C[NH+](C)C 70226463 343481206 /nfs/dbraw/zinc/48/12/06/343481206.db2.gz FASRVVXTHYGOFM-UHFFFAOYSA-N 1 0 192.262 1.707 20 0 ADADRO CCC(=O)NCC[NH+]1CCCCCC1 70226268 343481415 /nfs/dbraw/zinc/48/14/15/343481415.db2.gz WCYLBCXWJGKSRQ-UHFFFAOYSA-N 1 0 198.310 1.389 20 0 ADADRO CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 70227224 343482312 /nfs/dbraw/zinc/48/23/12/343482312.db2.gz FFQGYECCNBDPDN-SNVBAGLBSA-N 1 0 198.310 1.245 20 0 ADADRO CCC(=O)NC[C@H](C)C[NH+]1CCCC1 70227225 343482317 /nfs/dbraw/zinc/48/23/17/343482317.db2.gz FFQGYECCNBDPDN-JTQLQIEISA-N 1 0 198.310 1.245 20 0 ADADRO CC(=O)N(CC[NH+](C)C)CC(C)C 70227623 343482672 /nfs/dbraw/zinc/48/26/72/343482672.db2.gz MZSJHBLKEUWWSN-UHFFFAOYSA-N 1 0 186.299 1.053 20 0 ADADRO CC(=O)N(CC[NH+](C)C)C1CCCC1 70227707 343482805 /nfs/dbraw/zinc/48/28/05/343482805.db2.gz PAYAVADRHMTSKF-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO CCCC(=O)NC[C@@H]1CC[N@H+](CC)C1 70227631 343482812 /nfs/dbraw/zinc/48/28/12/343482812.db2.gz CPAGBZBZADOSIW-JTQLQIEISA-N 1 0 198.310 1.245 20 0 ADADRO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)C)C1 70227634 343482816 /nfs/dbraw/zinc/48/28/16/343482816.db2.gz FWXBNSKUWPJZQW-JTQLQIEISA-N 1 0 198.310 1.100 20 0 ADADRO CCCC(=O)N[C@H]1CCC[N@H+](CC)C1 70227555 343482896 /nfs/dbraw/zinc/48/28/96/343482896.db2.gz UUFNCMQULLCUCI-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CC[N@@H+]1CC[C@H](CNC(=O)C(C)C)C1 70227633 343482902 /nfs/dbraw/zinc/48/29/02/343482902.db2.gz FWXBNSKUWPJZQW-SNVBAGLBSA-N 1 0 198.310 1.100 20 0 ADADRO CCC(=O)NCC1CC[NH+](CC)CC1 70228111 343483239 /nfs/dbraw/zinc/48/32/39/343483239.db2.gz LYQQHHFCCFHBRK-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 70228422 343483681 /nfs/dbraw/zinc/48/36/81/343483681.db2.gz ZUSXGDXCVRRSBB-VIFPVBQESA-N 1 0 196.294 1.139 20 0 ADADRO CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 70228421 343483717 /nfs/dbraw/zinc/48/37/17/343483717.db2.gz ZUSXGDXCVRRSBB-SECBINFHSA-N 1 0 196.294 1.139 20 0 ADADRO CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 70232660 343484091 /nfs/dbraw/zinc/48/40/91/343484091.db2.gz RFSYBDMUWDVNGR-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[NH+](CC)C[C@@H](C)NC(=O)C1CC1 70228640 343484095 /nfs/dbraw/zinc/48/40/95/343484095.db2.gz DFVRVBGPSMVUJZ-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO CCCC(=O)NCCCC[NH+](C)C 70232646 343484122 /nfs/dbraw/zinc/48/41/22/343484122.db2.gz WHFNFPBKTSDQPH-UHFFFAOYSA-N 1 0 186.299 1.245 20 0 ADADRO CCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 70232662 343484128 /nfs/dbraw/zinc/48/41/28/343484128.db2.gz RFSYBDMUWDVNGR-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCCN(CC[NH+](C)C)C(=O)C1CC1 70228651 343484174 /nfs/dbraw/zinc/48/41/74/343484174.db2.gz WRZFRKJYESOVMQ-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO CCC(=O)N[C@H](C)C[NH+](CC)CC 70228645 343484192 /nfs/dbraw/zinc/48/41/92/343484192.db2.gz KBMAHCGQPDSUGX-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO C[N@H+](CCNC(=O)C(C)(C)C)C1CC1 70232506 343484207 /nfs/dbraw/zinc/48/42/07/343484207.db2.gz CGZOWQBXMFGBBL-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)C(=O)NCCCC[NH+](C)C 70232644 343484270 /nfs/dbraw/zinc/48/42/70/343484270.db2.gz KADIKELQGVENDO-UHFFFAOYSA-N 1 0 186.299 1.100 20 0 ADADRO CCCC(=O)N[C@@H](C)CC[NH+](C)C 70232767 343484287 /nfs/dbraw/zinc/48/42/87/343484287.db2.gz CZSVBIHCJFCVHI-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO CCCN(CC[NH+](C)C)C(=O)CC 70228650 343484289 /nfs/dbraw/zinc/48/42/89/343484289.db2.gz 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343484739 /nfs/dbraw/zinc/48/47/39/343484739.db2.gz SWIVOBGOUMGMTA-JTQLQIEISA-N 1 0 196.294 1.093 20 0 ADADRO CC(C)Cc1c[nH+]ccc1N 70318379 343486559 /nfs/dbraw/zinc/48/65/59/343486559.db2.gz ZTNSLDLPCUAQIS-UHFFFAOYSA-N 1 0 150.225 1.862 20 0 ADADRO CCCC(=O)N1CC[NH+](CCC)CC1 70270049 343486678 /nfs/dbraw/zinc/48/66/78/343486678.db2.gz INPCTXRFONKNIH-UHFFFAOYSA-N 1 0 198.310 1.341 20 0 ADADRO C[C@H]([NH3+])Cc1nc(-c2ccoc2)no1 70414031 343487101 /nfs/dbraw/zinc/48/71/01/343487101.db2.gz GSOSSDPCNUVYAX-LURJTMIESA-N 1 0 193.206 1.219 20 0 ADADRO Cc1c[nH+]ccc1NC[C@H](O)C1CC1 70489692 343488174 /nfs/dbraw/zinc/48/81/74/343488174.db2.gz MIXUTKHSANAOSY-NSHDSACASA-N 1 0 192.262 1.573 20 0 ADADRO Cc1c[nH+]ccc1NC[C@@H](O)C1CC1 70489693 343488234 /nfs/dbraw/zinc/48/82/34/343488234.db2.gz MIXUTKHSANAOSY-LLVKDONJSA-N 1 0 192.262 1.573 20 0 ADADRO CC[C@@H]1C[C@H](C)CC[NH2+]1 70531681 343488422 /nfs/dbraw/zinc/48/84/22/343488422.db2.gz GXFXVEURXCGQRE-HTQZYQBOSA-N 1 0 127.231 1.785 20 0 ADADRO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 70502725 343488438 /nfs/dbraw/zinc/48/84/38/343488438.db2.gz YDEZRSRSKSPOHL-DTWKUNHWSA-N 1 0 196.294 1.125 20 0 ADADRO CC[C@H]1C[C@@H](C)CC[NH2+]1 70531684 343488528 /nfs/dbraw/zinc/48/85/28/343488528.db2.gz GXFXVEURXCGQRE-YUMQZZPRSA-N 1 0 127.231 1.785 20 0 ADADRO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 70502722 343488601 /nfs/dbraw/zinc/48/86/01/343488601.db2.gz YDEZRSRSKSPOHL-BDAKNGLRSA-N 1 0 196.294 1.125 20 0 ADADRO CC[C@@H]1C[C@@H](C)CC[NH2+]1 70531683 343488640 /nfs/dbraw/zinc/48/86/40/343488640.db2.gz GXFXVEURXCGQRE-JGVFFNPUSA-N 1 0 127.231 1.785 20 0 ADADRO CC[C@H]1C[C@H](C)CC[NH2+]1 70531682 343488676 /nfs/dbraw/zinc/48/86/76/343488676.db2.gz GXFXVEURXCGQRE-SFYZADRCSA-N 1 0 127.231 1.785 20 0 ADADRO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 70502724 343488711 /nfs/dbraw/zinc/48/87/11/343488711.db2.gz YDEZRSRSKSPOHL-RKDXNWHRSA-N 1 0 196.294 1.125 20 0 ADADRO CC[N@H+](CCCO)CC1CC1 70531632 343488724 /nfs/dbraw/zinc/48/87/24/343488724.db2.gz IBDSBNOQNJGFTI-UHFFFAOYSA-N 1 0 157.257 1.101 20 0 ADADRO OCCC[NH+](CC1CC1)CC1CC1 70531793 343489033 /nfs/dbraw/zinc/48/90/33/343489033.db2.gz CDFRDKYTCNVVQT-UHFFFAOYSA-N 1 0 183.295 1.491 20 0 ADADRO CC(C)[NH2+][C@H]1CCCN(C(C)C)C1 70558201 343490183 /nfs/dbraw/zinc/49/01/83/343490183.db2.gz TUOPOOKCDKVDGP-NSHDSACASA-N 1 0 184.327 1.857 20 0 ADADRO CC1(C[NH2+]Cc2ccncc2)COC1 70559476 343490192 /nfs/dbraw/zinc/49/01/92/343490192.db2.gz HEKNNERFBJXPRR-UHFFFAOYSA-N 1 0 192.262 1.208 20 0 ADADRO CC(C)(C)C[NH2+]CC1(C)COC1 70559466 343490228 /nfs/dbraw/zinc/49/02/28/343490228.db2.gz STDCKRIZIPVCGY-UHFFFAOYSA-N 1 0 171.284 1.659 20 0 ADADRO CC1(C[NH2+]Cc2cccs2)COC1 70559459 343490287 /nfs/dbraw/zinc/49/02/87/343490287.db2.gz TWWNZFSZNHVHOK-UHFFFAOYSA-N 1 0 197.303 1.874 20 0 ADADRO CC1(C[NH2+]Cc2ccccc2)COC1 70559437 343490324 /nfs/dbraw/zinc/49/03/24/343490324.db2.gz FTCVDCCKGBQVMJ-UHFFFAOYSA-N 1 0 191.274 1.813 20 0 ADADRO CC1(C[NH2+]Cc2ccsc2)COC1 70559472 343490355 /nfs/dbraw/zinc/49/03/55/343490355.db2.gz YDZVUEUKHXYECE-UHFFFAOYSA-N 1 0 197.303 1.874 20 0 ADADRO CCCN1CCC[C@H]([NH2+]C(C)C)C1 70558190 343490381 /nfs/dbraw/zinc/49/03/81/343490381.db2.gz BIWDEGBFKZLMBP-NSHDSACASA-N 1 0 184.327 1.859 20 0 ADADRO CC(C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O 70560837 343490659 /nfs/dbraw/zinc/49/06/59/343490659.db2.gz WFQMGCAPWKYORE-SECBINFHSA-N 1 0 198.310 1.384 20 0 ADADRO CC(C)[C@H]1CCC[N@H+](CC(N)=O)CC1 70559841 343490877 /nfs/dbraw/zinc/49/08/77/343490877.db2.gz NIFOXOUOVQRTEN-JTQLQIEISA-N 1 0 198.310 1.230 20 0 ADADRO CC(C)[C@@H]1CCC[N@H+](CC(N)=O)CC1 70559840 343491029 /nfs/dbraw/zinc/49/10/29/343491029.db2.gz NIFOXOUOVQRTEN-SNVBAGLBSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)O)C1 70562391 343491672 /nfs/dbraw/zinc/49/16/72/343491672.db2.gz YNSJJYAZFUSAQB-GMTAPVOTSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H]1CCC[C@@H]([NH2+]CCO)C1 70562367 343491693 /nfs/dbraw/zinc/49/16/93/343491693.db2.gz OCPZNDRLRVIGCW-VHSXEESVSA-N 1 0 171.284 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/nfs/dbraw/zinc/50/28/92/343502892.db2.gz CQIJAPXADHQCQW-JTQLQIEISA-N 1 0 198.310 1.245 20 0 ADADRO CC(C)[C@H]1CCC[N@H+](CCO)CC1 70613971 343502963 /nfs/dbraw/zinc/50/29/63/343502963.db2.gz IPERBTOKQXMPDW-NSHDSACASA-N 1 0 185.311 1.737 20 0 ADADRO CC[C@H]1CCC[N@H+](C[C@@H](C)N)CC1 70613162 343503142 /nfs/dbraw/zinc/50/31/42/343503142.db2.gz UCXPGPITQJYIMS-MNOVXSKESA-N 1 0 184.327 1.846 20 0 ADADRO CC[C@H]1CCCN(C(=O)CC[NH3+])CC1 70613122 343503175 /nfs/dbraw/zinc/50/31/75/343503175.db2.gz PCPSOOGVQROGJC-JTQLQIEISA-N 1 0 198.310 1.374 20 0 ADADRO CC[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])CC1 70613339 343503179 /nfs/dbraw/zinc/50/31/79/343503179.db2.gz XZZLVONVEIZBKM-VHSXEESVSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@H]1CCCN(C(=O)[C@H](C)[NH3+])CC1 70613340 343503189 /nfs/dbraw/zinc/50/31/89/343503189.db2.gz XZZLVONVEIZBKM-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO CC[C@@H]1CCCN(C(=O)C[NH2+]C)CC1 70613361 343503203 /nfs/dbraw/zinc/50/32/03/343503203.db2.gz CQIJAPXADHQCQW-SNVBAGLBSA-N 1 0 198.310 1.245 20 0 ADADRO CC(C)[C@@H]1CCC[N@H+](CCO)CC1 70613970 343503246 /nfs/dbraw/zinc/50/32/46/343503246.db2.gz IPERBTOKQXMPDW-LLVKDONJSA-N 1 0 185.311 1.737 20 0 ADADRO CC[C@@H]1CCC[N@H+](C[C@@H](C)N)CC1 70613161 343503252 /nfs/dbraw/zinc/50/32/52/343503252.db2.gz UCXPGPITQJYIMS-GHMZBOCLSA-N 1 0 184.327 1.846 20 0 ADADRO CSCCC[NH2+]CC1(C)COC1 70617569 343503414 /nfs/dbraw/zinc/50/34/14/343503414.db2.gz LDNNPEDEPRAHDA-UHFFFAOYSA-N 1 0 189.324 1.366 20 0 ADADRO CC1(C[NH2+]C(C2CC2)C2CC2)COC1 70617112 343503558 /nfs/dbraw/zinc/50/35/58/343503558.db2.gz ZWQBRHRNCLAJOP-UHFFFAOYSA-N 1 0 195.306 1.801 20 0 ADADRO CC(C)[NH2+]CC1(C)COC1 70616708 343503726 /nfs/dbraw/zinc/50/37/26/343503726.db2.gz VXCWMBVSQLVLDQ-UHFFFAOYSA-N 1 0 143.230 1.021 20 0 ADADRO CC(C)(C)CC[NH2+]Cc1ncc[nH]1 70621333 343504602 /nfs/dbraw/zinc/50/46/02/343504602.db2.gz YOXXEQLVXLDXIN-UHFFFAOYSA-N 1 0 181.283 1.936 20 0 ADADRO CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)CO 70621542 343505281 /nfs/dbraw/zinc/50/52/81/343505281.db2.gz 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OOGMSQMRMVHXLH-UHFFFAOYSA-N 1 0 171.284 1.537 20 0 ADADRO CC[C@H](COC)[NH2+]Cc1cccn1C 70624994 343506643 /nfs/dbraw/zinc/50/66/43/343506643.db2.gz XUVOUOPFINBIBT-SNVBAGLBSA-N 1 0 196.294 1.540 20 0 ADADRO CC[C@H](COC)[NH2+]Cc1cccnc1 70623754 343506658 /nfs/dbraw/zinc/50/66/58/343506658.db2.gz OZZQRXJZNJLOCF-LLVKDONJSA-N 1 0 194.278 1.596 20 0 ADADRO CC[C@@H](COC)[NH2+][C@H]1CCSC1 70625031 343506683 /nfs/dbraw/zinc/50/66/83/343506683.db2.gz FOEFEFQLHWYBOD-IUCAKERBSA-N 1 0 189.324 1.507 20 0 ADADRO CC[C@@H](COC)[NH2+]Cc1cccn1C 70624993 343506743 /nfs/dbraw/zinc/50/67/43/343506743.db2.gz XUVOUOPFINBIBT-JTQLQIEISA-N 1 0 196.294 1.540 20 0 ADADRO CC[NH2+]Cc1ccc(Cl)cn1 70624934 343506769 /nfs/dbraw/zinc/50/67/69/343506769.db2.gz WPZSIKKOLFOLGO-UHFFFAOYSA-N 1 0 170.643 1.845 20 0 ADADRO CC[C@@H](COC)[NH2+][C@@H]1CCSC1 70625029 343506781 /nfs/dbraw/zinc/50/67/81/343506781.db2.gz FOEFEFQLHWYBOD-DTWKUNHWSA-N 1 0 189.324 1.507 20 0 ADADRO CC[C@@H](COC)[NH2+]Cc1cccnc1 70623753 343506848 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CCC[N@@H+]1CCC[C@H](N(C)C)C1 73652293 343570985 /nfs/dbraw/zinc/57/09/85/343570985.db2.gz CWQQAGAJZIZKKW-JTQLQIEISA-N 1 0 170.300 1.422 20 0 ADADRO CCCC[N@@H+]1CC[C@H](O)[C@H](C)C1 73654149 343570773 /nfs/dbraw/zinc/57/07/73/343570773.db2.gz LFDJIBOITGRFPA-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO CCC[N@@H+]1CC[C@H](O)C[C@@H]1C 73655905 343570841 /nfs/dbraw/zinc/57/08/41/343570841.db2.gz KEKDQDNWVADYEH-IUCAKERBSA-N 1 0 157.257 1.242 20 0 ADADRO C[C@H]1C[C@H]([NH2+]C2CC2)CCN1C 73655547 343570873 /nfs/dbraw/zinc/57/08/73/343570873.db2.gz JAWXGRYOSMCZIO-WCBMZHEXSA-N 1 0 168.284 1.221 20 0 ADADRO CC(C)[N@@H+]1CCC[C@@H](N(C)C)C1 73653141 343570883 /nfs/dbraw/zinc/57/08/83/343570883.db2.gz XHRLMPFTVCLSGJ-SNVBAGLBSA-N 1 0 170.300 1.421 20 0 ADADRO CC(C)[NH2+][C@H]1CCN(C)[C@H](C)C1 73655467 343570976 /nfs/dbraw/zinc/57/09/76/343570976.db2.gz XKXRYMYKRACCEF-ZJUUUORDSA-N 1 0 170.300 1.467 20 0 ADADRO CCCN1CCC[C@@H]([NH+]2CCCC2)C1 73652236 343571001 /nfs/dbraw/zinc/57/10/01/343571001.db2.gz 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74275604 343571555 /nfs/dbraw/zinc/57/15/55/343571555.db2.gz IQTRUYKKVNATOK-SECBINFHSA-N 1 0 189.262 1.614 20 0 ADADRO [NH3+][C@@H]1CCC[C@H]1c1noc(C2CC2)n1 74248016 343571574 /nfs/dbraw/zinc/57/15/74/343571574.db2.gz RICGIYCRFXPFFW-HTQZYQBOSA-N 1 0 193.250 1.542 20 0 ADADRO [NH3+][C@H]1CCC[C@@H]1c1noc(C2CC2)n1 74248017 343571728 /nfs/dbraw/zinc/57/17/28/343571728.db2.gz RICGIYCRFXPFFW-YUMQZZPRSA-N 1 0 193.250 1.542 20 0 ADADRO Cc1cccc(-c2cc(C[NH3+])ncn2)c1 74215025 343571736 /nfs/dbraw/zinc/57/17/36/343571736.db2.gz AJNYCRKQARCWLN-UHFFFAOYSA-N 1 0 199.257 1.911 20 0 ADADRO CC(C)c1nc([C@@H]2CCC[C@H]2[NH3+])no1 74244070 343571782 /nfs/dbraw/zinc/57/17/82/343571782.db2.gz QAHCMKUVERMXQJ-HTQZYQBOSA-N 1 0 195.266 1.788 20 0 ADADRO Cc1cc(C(C)(C)C[NH3+])ncn1 74338508 343572053 /nfs/dbraw/zinc/57/20/53/343572053.db2.gz OHWCQPZMLPYMCC-UHFFFAOYSA-N 1 0 165.240 1.021 20 0 ADADRO [NH3+]Cc1cc2cc[nH]c2cc1F 74340428 343572145 /nfs/dbraw/zinc/57/21/45/343572145.db2.gz ZLMSEAFFNZAZJK-UHFFFAOYSA-N 1 0 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CRLBJPREWTVTBA-JTQLQIEISA-N 1 0 169.268 1.243 20 0 ADADRO CCCC[N@H+](CCO)CCC1CC1 83939891 343628343 /nfs/dbraw/zinc/62/83/43/343628343.db2.gz CNHDAFLMQZXDCL-UHFFFAOYSA-N 1 0 185.311 1.881 20 0 ADADRO CCC[N@H+](CCO)CCC1CC1 83939894 343628349 /nfs/dbraw/zinc/62/83/49/343628349.db2.gz CQXVXIRRIYCQNY-UHFFFAOYSA-N 1 0 171.284 1.491 20 0 ADADRO COC(=O)[C@H](C)C[N@H+](C)CCC1CC1 83939830 343628354 /nfs/dbraw/zinc/62/83/54/343628354.db2.gz OMXZDMDIIVTMIM-SECBINFHSA-N 1 0 199.294 1.527 20 0 ADADRO OC[C@@H]1CCCC[N@@H+]1CCC1CC1 83939860 343628367 /nfs/dbraw/zinc/62/83/67/343628367.db2.gz XAWWXMPWJKAELR-NSHDSACASA-N 1 0 183.295 1.633 20 0 ADADRO CCOC(=O)C[N@H+](CC)CCC1CC1 83939801 343628396 /nfs/dbraw/zinc/62/83/96/343628396.db2.gz NOWNHTCVHLBPBS-UHFFFAOYSA-N 1 0 199.294 1.672 20 0 ADADRO COC(=O)C[N@H+](CCC1CC1)C(C)C 83939808 343628407 /nfs/dbraw/zinc/62/84/07/343628407.db2.gz LYANMUANXGPHJR-UHFFFAOYSA-N 1 0 199.294 1.670 20 0 ADADRO CC[N@H+](CCC1CC1)CC(=O)OC 83939816 343628428 /nfs/dbraw/zinc/62/84/28/343628428.db2.gz XUSCTAPCAFQDHH-UHFFFAOYSA-N 1 0 185.267 1.281 20 0 ADADRO C[C@H](O)C[N@H+](C)CCC1CC1 83939920 343628456 /nfs/dbraw/zinc/62/84/56/343628456.db2.gz LETVMCOSMLWXNE-QMMMGPOBSA-N 1 0 157.257 1.099 20 0 ADADRO OCC1CC[NH+](CCC2CC2)CC1 83939873 343628462 /nfs/dbraw/zinc/62/84/62/343628462.db2.gz ZGVCTVIJNPXTSI-UHFFFAOYSA-N 1 0 183.295 1.491 20 0 ADADRO OC[C@H]1CCC[N@H+](CCC2CC2)C1 83939864 343628471 /nfs/dbraw/zinc/62/84/71/343628471.db2.gz KTBJJPSYNOCLOZ-NSHDSACASA-N 1 0 183.295 1.491 20 0 ADADRO CC[N@@H+](CCC(=O)OC)CCC1CC1 83939804 343628497 /nfs/dbraw/zinc/62/84/97/343628497.db2.gz ZMZQLZSGKQQWMP-UHFFFAOYSA-N 1 0 199.294 1.672 20 0 ADADRO OC[C@H]1CCCC[N@@H+]1CCC1CC1 83939861 343628528 /nfs/dbraw/zinc/62/85/28/343628528.db2.gz XAWWXMPWJKAELR-LLVKDONJSA-N 1 0 183.295 1.633 20 0 ADADRO OCC[N@H+](CCC1CC1)C1CC1 83939856 343628534 /nfs/dbraw/zinc/62/85/34/343628534.db2.gz BXSPDGWTFSFWLO-UHFFFAOYSA-N 1 0 169.268 1.243 20 0 ADADRO CCC[N@H+](CCC1CC1)CC(=O)OC 83939812 343628538 /nfs/dbraw/zinc/62/85/38/343628538.db2.gz IEOAOCNHVWSCPO-UHFFFAOYSA-N 1 0 199.294 1.672 20 0 ADADRO COC(=O)[C@H]1CCC[N@@H+]1CCC1CC1 83939799 343628553 /nfs/dbraw/zinc/62/85/53/343628553.db2.gz ODVGEFPNWWYFKS-SNVBAGLBSA-N 1 0 197.278 1.424 20 0 ADADRO COC(=O)CCC[N@H+](C)CCC1CC1 83939809 343628559 /nfs/dbraw/zinc/62/85/59/343628559.db2.gz FMFWVPDSNPCNBK-UHFFFAOYSA-N 1 0 199.294 1.672 20 0 ADADRO Cc1ccsc1CNC(=O)[C@@H](C)[NH3+] 83944175 343628573 /nfs/dbraw/zinc/62/85/73/343628573.db2.gz QIRFVKZIUOMIKY-SSDOTTSWSA-N 1 0 198.291 1.020 20 0 ADADRO CC[N@H+](CCO)CCC1CC1 83939885 343628599 /nfs/dbraw/zinc/62/85/99/343628599.db2.gz CJODDUFFRBTEJN-UHFFFAOYSA-N 1 0 157.257 1.101 20 0 ADADRO CC(C)[C@@H]1CCC[N@@H+]1CCN 83962694 343628891 /nfs/dbraw/zinc/62/88/91/343628891.db2.gz TURBEHHZITWZCZ-VIFPVBQESA-N 1 0 156.273 1.066 20 0 in-vitro ADADRO CC(C)[C@H]1CCC[N@@H+]1CCN 83962695 343628953 /nfs/dbraw/zinc/62/89/53/343628953.db2.gz TURBEHHZITWZCZ-SECBINFHSA-N 1 0 156.273 1.066 20 0 in-vitro ADADRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCN 83963408 343628959 /nfs/dbraw/zinc/62/89/59/343628959.db2.gz QNORSYPILXHTFE-VIFPVBQESA-N 1 0 170.300 1.456 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ncnn1C 83971041 343629426 /nfs/dbraw/zinc/62/94/26/343629426.db2.gz FHOYNWPSTASXFI-IUCAKERBSA-N 1 0 194.282 1.093 20 0 ADADRO Cn1ncnc1C[NH2+]C1CCCCC1 83970283 343629502 /nfs/dbraw/zinc/62/95/02/343629502.db2.gz INMVZYZGDUDMLJ-UHFFFAOYSA-N 1 0 194.282 1.237 20 0 ADADRO C[C@H]1CC[C@H](C)[N@H+](CCN)C1 84045035 343629837 /nfs/dbraw/zinc/62/98/37/343629837.db2.gz JBLDWYZIFBZKGQ-IUCAKERBSA-N 1 0 156.273 1.066 20 0 in-vitro ADADRO CC[NH+](CC)CCSCC(C)=O 84060157 343630032 /nfs/dbraw/zinc/63/00/32/343630032.db2.gz YTPFFBJVZVUPEP-UHFFFAOYSA-N 1 0 189.324 1.650 20 0 ADADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC=CCC1 84067214 343630390 /nfs/dbraw/zinc/63/03/90/343630390.db2.gz YCLVFLWKHZKSNX-ZJUUUORDSA-N 1 0 196.294 1.195 20 0 ADADRO Cn1nccc1C[NH2+][C@H]1CC=CCC1 84066298 343630433 /nfs/dbraw/zinc/63/04/33/343630433.db2.gz WCOUHFILNXAOAW-JTQLQIEISA-N 1 0 191.278 1.618 20 0 ADADRO C1=CC[C@H]([NH2+]Cc2cnccn2)CC1 84066132 343630435 /nfs/dbraw/zinc/63/04/35/343630435.db2.gz FVJLEVXVQVHLSW-JTQLQIEISA-N 1 0 189.262 1.675 20 0 ADADRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC=CCC1 84067213 343630551 /nfs/dbraw/zinc/63/05/51/343630551.db2.gz YCLVFLWKHZKSNX-UWVGGRQHSA-N 1 0 196.294 1.195 20 0 ADADRO Cn1cc(C[NH2+][C@H]2CC=CCC2)nn1 84066328 343630569 /nfs/dbraw/zinc/63/05/69/343630569.db2.gz WTLDSLVSQAUEEU-VIFPVBQESA-N 1 0 192.266 1.013 20 0 ADADRO CC1(C[NH2+][C@@H]2CC=CCC2)COC1 84067492 343630634 /nfs/dbraw/zinc/63/06/34/343630634.db2.gz YDUFJRCCXXTCDH-SNVBAGLBSA-N 1 0 181.279 1.721 20 0 ADADRO C1=CC[C@@H]([NH2+]Cc2cnccn2)CC1 84066133 343630636 /nfs/dbraw/zinc/63/06/36/343630636.db2.gz FVJLEVXVQVHLSW-SNVBAGLBSA-N 1 0 189.262 1.675 20 0 ADADRO C1=CC[C@@H]([NH2+]C2CCOCC2)CC1 84066518 343630644 /nfs/dbraw/zinc/63/06/44/343630644.db2.gz KDKHEWRYUXRYCJ-SNVBAGLBSA-N 1 0 181.279 1.864 20 0 ADADRO Cn1nccc1C[NH2+][C@@H]1CC=CCC1 84066299 343630696 /nfs/dbraw/zinc/63/06/96/343630696.db2.gz WCOUHFILNXAOAW-SNVBAGLBSA-N 1 0 191.278 1.618 20 0 ADADRO C1=CC[C@H]([NH2+]C2CCOCC2)CC1 84066521 343630702 /nfs/dbraw/zinc/63/07/02/343630702.db2.gz KDKHEWRYUXRYCJ-JTQLQIEISA-N 1 0 181.279 1.864 20 0 ADADRO C1=CC[C@@H]([NH2+]Cc2csnn2)CC1 84066804 343630712 /nfs/dbraw/zinc/63/07/12/343630712.db2.gz ZBPHZMOTDSRRAJ-MRVPVSSYSA-N 1 0 195.291 1.736 20 0 ADADRO C1=CC[C@H]([NH2+]Cc2csnn2)CC1 84066803 343630730 /nfs/dbraw/zinc/63/07/30/343630730.db2.gz ZBPHZMOTDSRRAJ-QMMMGPOBSA-N 1 0 195.291 1.736 20 0 ADADRO CN1CCC([NH2+][C@H]2CC=CCC2)CC1 84066154 343630754 /nfs/dbraw/zinc/63/07/54/343630754.db2.gz QXYUJJDJEFDKAE-NSHDSACASA-N 1 0 194.322 1.779 20 0 ADADRO CC(C)[C@@H]1CCCN1C(=O)[C@@H](C)C[NH3+] 84125710 343630935 /nfs/dbraw/zinc/63/09/35/343630935.db2.gz OYEURXKYCKMALE-UWVGGRQHSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)[C@H]1CCC[N@@H+]1CC(C)(C)N 84126988 343630948 /nfs/dbraw/zinc/63/09/48/343630948.db2.gz NWSUDBLIQGFRRW-SNVBAGLBSA-N 1 0 184.327 1.844 20 0 ADADRO CC(C)[C@H]1CCCN1C(=O)C[C@@H](C)[NH3+] 84126320 343630963 /nfs/dbraw/zinc/63/09/63/343630963.db2.gz BUIGJVPVDAUSMX-NXEZZACHSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)[C@@H]1CCCN1C(=O)C[C@H](C)[NH3+] 84126322 343630983 /nfs/dbraw/zinc/63/09/83/343630983.db2.gz BUIGJVPVDAUSMX-UWVGGRQHSA-N 1 0 198.310 1.371 20 0 ADADRO CC[NH2+][C@H](C)c1nnc(C)s1 84120301 343631026 /nfs/dbraw/zinc/63/10/26/343631026.db2.gz GFBYPUALIPSNKB-RXMQYKEDSA-N 1 0 171.269 1.517 20 0 ADADRO CC(C)[C@H]1CCC[N@H+]1C[C@@H](C)N 84125846 343631034 /nfs/dbraw/zinc/63/10/34/343631034.db2.gz ZYGKTKJULAGNEL-NXEZZACHSA-N 1 0 170.300 1.454 20 0 ADADRO CC(C)[C@H]1CCCN1C(=O)[C@@H](C)C[NH3+] 84125712 343631058 /nfs/dbraw/zinc/63/10/58/343631058.db2.gz OYEURXKYCKMALE-VHSXEESVSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](C)N 84125844 343631100 /nfs/dbraw/zinc/63/11/00/343631100.db2.gz ZYGKTKJULAGNEL-ZJUUUORDSA-N 1 0 170.300 1.454 20 0 ADADRO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](C)O 84126755 343631196 /nfs/dbraw/zinc/63/11/96/343631196.db2.gz ORUSWYSHVHOELB-ZJUUUORDSA-N 1 0 171.284 1.488 20 0 ADADRO CC(C)[C@H]1CCCN1C(=O)[C@H](C)C[NH3+] 84125715 343631240 /nfs/dbraw/zinc/63/12/40/343631240.db2.gz OYEURXKYCKMALE-NXEZZACHSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)[C@@H]1CCCN1C(=O)C[C@@H](C)[NH3+] 84126318 343631252 /nfs/dbraw/zinc/63/12/52/343631252.db2.gz BUIGJVPVDAUSMX-ZJUUUORDSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)[C@H]1CCC[N@H+]1C[C@@H](C)O 84126758 343631276 /nfs/dbraw/zinc/63/12/76/343631276.db2.gz ORUSWYSHVHOELB-NXEZZACHSA-N 1 0 171.284 1.488 20 0 ADADRO CC(C)[C@@H]1CCC[N@@H+]1CC(C)(C)N 84126984 343631290 /nfs/dbraw/zinc/63/12/90/343631290.db2.gz NWSUDBLIQGFRRW-JTQLQIEISA-N 1 0 184.327 1.844 20 0 ADADRO CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 84213026 343631515 /nfs/dbraw/zinc/63/15/15/343631515.db2.gz XVJIIAPYIORALS-BDAKNGLRSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] 84213002 343631593 /nfs/dbraw/zinc/63/15/93/343631593.db2.gz YNTKKLIJHXXEIU-ZJUUUORDSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] 84213003 343631621 /nfs/dbraw/zinc/63/16/21/343631621.db2.gz YNTKKLIJHXXEIU-VHSXEESVSA-N 1 0 198.310 1.276 20 0 ADADRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC1 84213151 343631692 /nfs/dbraw/zinc/63/16/92/343631692.db2.gz UXXBOCVCCULZGC-ZJUUUORDSA-N 1 0 196.294 1.030 20 0 ADADRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC1 84213150 343631754 /nfs/dbraw/zinc/63/17/54/343631754.db2.gz UXXBOCVCCULZGC-VHSXEESVSA-N 1 0 196.294 1.030 20 0 ADADRO CC(C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] 84213004 343631781 /nfs/dbraw/zinc/63/17/81/343631781.db2.gz YNTKKLIJHXXEIU-UWVGGRQHSA-N 1 0 198.310 1.276 20 0 ADADRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C1CC1 84213153 343631794 /nfs/dbraw/zinc/63/17/94/343631794.db2.gz UXXBOCVCCULZGC-NXEZZACHSA-N 1 0 196.294 1.030 20 0 ADADRO c1ncc2c3c(sc2n1)C[NH2+]CC3 84234229 343632717 /nfs/dbraw/zinc/63/27/17/343632717.db2.gz QOLHDAJYVSKPBO-UHFFFAOYSA-N 1 0 191.259 1.337 20 0 ADADRO CC(C)Cc1n[nH]cc1C[NH3+] 84250585 343633034 /nfs/dbraw/zinc/63/30/34/343633034.db2.gz XPROYIABRPUWBE-UHFFFAOYSA-N 1 0 153.229 1.067 20 0 ADADRO Cc1cc(C[NH2+][C@H]2CC2(C)C)n(C)n1 84244335 343633083 /nfs/dbraw/zinc/63/30/83/343633083.db2.gz LPUORDUHRXXUBM-JTQLQIEISA-N 1 0 193.294 1.617 20 0 ADADRO Cc1ccc2c(c1)[C@@H](O)CC[NH2+]C2 84307389 343633667 /nfs/dbraw/zinc/63/36/67/343633667.db2.gz XWAWAABLCKLLQG-NSHDSACASA-N 1 0 177.247 1.522 20 0 ADADRO Cc1ccc2c(c1)[C@H](O)CC[NH2+]C2 84307385 343633722 /nfs/dbraw/zinc/63/37/22/343633722.db2.gz XWAWAABLCKLLQG-LLVKDONJSA-N 1 0 177.247 1.522 20 0 ADADRO CC(C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 84326461 343634167 /nfs/dbraw/zinc/63/41/67/343634167.db2.gz LRNWOPOGDORODY-VHSXEESVSA-N 1 0 171.284 1.800 20 0 ADADRO c1cc2n(c1)CC[NH2+][C@@H]2C1CC1 84329854 343634291 /nfs/dbraw/zinc/63/42/91/343634291.db2.gz ZOKDKVNBUYMSBG-SNVBAGLBSA-N 1 0 162.236 1.542 20 0 ADADRO CC(C)[NH2+]C[C@H]1CCO[C@@H](C)C1 84326464 343634318 /nfs/dbraw/zinc/63/43/18/343634318.db2.gz LRNWOPOGDORODY-UWVGGRQHSA-N 1 0 171.284 1.800 20 0 ADADRO c1cc2n(c1)CC[NH2+][C@H]2C1CC1 84329856 343634663 /nfs/dbraw/zinc/63/46/63/343634663.db2.gz ZOKDKVNBUYMSBG-JTQLQIEISA-N 1 0 162.236 1.542 20 0 ADADRO O=C(C[C@@H]1CC[NH2+]C1)NC1CCCC1 84381369 343635124 /nfs/dbraw/zinc/63/51/24/343635124.db2.gz QYRVAXYZTALJRS-VIFPVBQESA-N 1 0 196.294 1.045 20 0 ADADRO Cc1ccccc1[C@H](C)NC1C[NH2+]C1 84416383 343635711 /nfs/dbraw/zinc/63/57/11/343635711.db2.gz PAIIGLLEWHYIQI-JTQLQIEISA-N 1 0 190.290 1.617 20 0 ADADRO C[C@@H]1CCCC[C@H]1[NH2+]C1CNC1 84416126 343635812 /nfs/dbraw/zinc/63/58/12/343635812.db2.gz GEBYBBOGWAVXBO-PSASIEDQSA-N 1 0 168.284 1.127 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+]C1CNC1 84416130 343635841 /nfs/dbraw/zinc/63/58/41/343635841.db2.gz GEBYBBOGWAVXBO-WCBMZHEXSA-N 1 0 168.284 1.127 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CNC1 84416121 343635888 /nfs/dbraw/zinc/63/58/88/343635888.db2.gz GEBYBBOGWAVXBO-SCZZXKLOSA-N 1 0 168.284 1.127 20 0 ADADRO 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Cc1ccc(C[NH2+]C[C@H](C)CO)o1 88195188 343669306 /nfs/dbraw/zinc/66/93/06/343669306.db2.gz MHBZFHNPVRHHSB-QMMMGPOBSA-N 1 0 183.251 1.306 20 0 ADADRO C[C@H](CO)C[NH2+]Cc1cccc(F)c1 88195445 343669318 /nfs/dbraw/zinc/66/93/18/343669318.db2.gz FCNIOPUEPBQWHC-VIFPVBQESA-N 1 0 197.253 1.544 20 0 ADADRO Cc1ccsc1C[NH2+]C[C@@H](C)CO 88195242 343669324 /nfs/dbraw/zinc/66/93/24/343669324.db2.gz UMKAGZGSHXOSMV-MRVPVSSYSA-N 1 0 199.319 1.775 20 0 ADADRO C[C@@H](CO)C[NH2+]C[C@@H]1CC=CCC1 88195181 343669351 /nfs/dbraw/zinc/66/93/51/343669351.db2.gz BGPYXSVEIVTCNE-GHMZBOCLSA-N 1 0 183.295 1.561 20 0 ADADRO CCC[N@@H+]1CCCC[C@@H]1C(=O)OC 88247742 343669355 /nfs/dbraw/zinc/66/93/55/343669355.db2.gz SMFHVPQMSZHHBA-SECBINFHSA-N 1 0 185.267 1.424 20 0 ADADRO Cc1ccc(C[NH2+]C[C@H](C)CO)cc1 88195338 343669362 /nfs/dbraw/zinc/66/93/62/343669362.db2.gz VSWDBFSFQIVERP-NSHDSACASA-N 1 0 193.290 1.713 20 0 ADADRO C[C@H](CO)C[NH2+]Cc1ccccc1F 88195240 343669365 /nfs/dbraw/zinc/66/93/65/343669365.db2.gz 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/nfs/dbraw/zinc/66/94/28/343669428.db2.gz FEGJIBBIWSCYSF-QMMMGPOBSA-N 1 0 185.292 1.466 20 0 ADADRO Cc1ccc(C[NH2+]C[C@@H](C)CO)s1 88195636 343669439 /nfs/dbraw/zinc/66/94/39/343669439.db2.gz RVRAOUXGNSNCIY-MRVPVSSYSA-N 1 0 199.319 1.775 20 0 ADADRO C[C@@H](CO)C[NH2+]Cc1cccs1 88195089 343669441 /nfs/dbraw/zinc/66/94/41/343669441.db2.gz FEGJIBBIWSCYSF-MRVPVSSYSA-N 1 0 185.292 1.466 20 0 ADADRO C[C@@H](CO)C[NH2+]Cc1ccc(O)cc1 88195000 343669453 /nfs/dbraw/zinc/66/94/53/343669453.db2.gz LVMWLTNVCFLBFI-SECBINFHSA-N 1 0 195.262 1.110 20 0 ADADRO C[C@H](CO)C[NH2+]C1CCCCC1 88195511 343669457 /nfs/dbraw/zinc/66/94/57/343669457.db2.gz VIKUGRIYSOVHKK-VIFPVBQESA-N 1 0 171.284 1.537 20 0 ADADRO Cc1ccc(C[NH2+]C[C@@H](C)CO)o1 88195187 343669460 /nfs/dbraw/zinc/66/94/60/343669460.db2.gz MHBZFHNPVRHHSB-MRVPVSSYSA-N 1 0 183.251 1.306 20 0 ADADRO C[C@H](CO)C[NH2+]C1CCSCC1 88195691 343669482 /nfs/dbraw/zinc/66/94/82/343669482.db2.gz FYVNAJZZYKFPJC-QMMMGPOBSA-N 1 0 189.324 1.100 20 0 ADADRO C[C@@H](CO)C[NH2+]C[C@H]1CC=CCC1 88195179 343669486 /nfs/dbraw/zinc/66/94/86/343669486.db2.gz BGPYXSVEIVTCNE-MNOVXSKESA-N 1 0 183.295 1.561 20 0 ADADRO C[C@@H](CO)C[NH2+]Cc1ccc(F)cc1 88195142 343669508 /nfs/dbraw/zinc/66/95/08/343669508.db2.gz MSIBMJZWSTYDHG-SECBINFHSA-N 1 0 197.253 1.544 20 0 ADADRO Cc1ccc(C[NH2+]C[C@@H](C)CO)cc1 88195337 343669517 /nfs/dbraw/zinc/66/95/17/343669517.db2.gz VSWDBFSFQIVERP-LLVKDONJSA-N 1 0 193.290 1.713 20 0 ADADRO C[C@H](CO)C[NH2+]C[C@H]1CC=CCC1 88195178 343669532 /nfs/dbraw/zinc/66/95/32/343669532.db2.gz BGPYXSVEIVTCNE-QWRGUYRKSA-N 1 0 183.295 1.561 20 0 ADADRO C[C@H](CO)C[NH2+]C[C@@H]1CC=CCC1 88195180 343669533 /nfs/dbraw/zinc/66/95/33/343669533.db2.gz BGPYXSVEIVTCNE-WDEREUQCSA-N 1 0 183.295 1.561 20 0 ADADRO C[C@@H](CO)C[NH2+]C1CCCCCC1 88195477 343669534 /nfs/dbraw/zinc/66/95/34/343669534.db2.gz QBLVOMIZYMXNRN-SNVBAGLBSA-N 1 0 185.311 1.927 20 0 ADADRO Cc1noc(C)c1C[NH2+]C[C@H](C)CO 88194998 343669544 /nfs/dbraw/zinc/66/95/44/343669544.db2.gz GHWIBYBHJDEPFY-ZETCQYMHSA-N 1 0 198.266 1.009 20 0 ADADRO C[C@@H](CO)C[NH2+]C1CCSCC1 88195692 343669553 /nfs/dbraw/zinc/66/95/53/343669553.db2.gz FYVNAJZZYKFPJC-MRVPVSSYSA-N 1 0 189.324 1.100 20 0 ADADRO CCC(CC)C[NH2+]C[C@H](C)CO 88195685 343669581 /nfs/dbraw/zinc/66/95/81/343669581.db2.gz FDINSRYBYTVADA-VIFPVBQESA-N 1 0 173.300 1.641 20 0 ADADRO C[C@@H](CO)C[NH2+]Cc1cccc(O)c1 88195448 343669586 /nfs/dbraw/zinc/66/95/86/343669586.db2.gz HDQQZVKAPNNOAI-SECBINFHSA-N 1 0 195.262 1.110 20 0 ADADRO CC(C)C[N@H+](CC(N)=O)C1CCCC1 88300710 343670540 /nfs/dbraw/zinc/67/05/40/343670540.db2.gz BNLDYRPIMPVQAE-UHFFFAOYSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)(C)c1n[nH]cc1C[NH2+]C1CC1 88330023 343671062 /nfs/dbraw/zinc/67/10/62/343671062.db2.gz OLQCQNMPAYJFDF-UHFFFAOYSA-N 1 0 193.294 1.959 20 0 ADADRO CC(C)(O)C[NH2+]Cc1nccs1 88370172 343671152 /nfs/dbraw/zinc/67/11/52/343671152.db2.gz GRKVJNHYTFKXED-UHFFFAOYSA-N 1 0 186.280 1.004 20 0 ADADRO C[NH2+]Cc1c[nH]nc1C(C)(C)C 88330028 343671322 /nfs/dbraw/zinc/67/13/22/343671322.db2.gz XDDIXKUDMMPKOG-UHFFFAOYSA-N 1 0 167.256 1.427 20 0 ADADRO C[C@H]1C[NH2+]C[C@H]1N1CCCCC1 89060629 343671811 /nfs/dbraw/zinc/67/18/11/343671811.db2.gz PPJUKDUGBVTGOQ-VHSXEESVSA-N 1 0 168.284 1.080 20 0 ADADRO Cc1cccc2c(CC[NH3+])[nH]nc12 89196106 343672308 /nfs/dbraw/zinc/67/23/08/343672308.db2.gz HZDZGCOXQZTHRS-UHFFFAOYSA-N 1 0 175.235 1.373 20 0 ADADRO Cc1c[nH+]c(N)c2[nH]ccc12 89212980 343673242 /nfs/dbraw/zinc/67/32/42/343673242.db2.gz NNSRQNOTXYFHPT-UHFFFAOYSA-N 1 0 147.181 1.454 20 0 in-vitro ADADRO CCC[N@@H+]1CCC[C@H](NC(=O)CC)C1 90188060 343674416 /nfs/dbraw/zinc/67/44/16/343674416.db2.gz GKPOBYXYIIHOHB-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CCC[N@@H+]1CCC[C@@H](NC(=O)CC)C1 90188062 343674517 /nfs/dbraw/zinc/67/45/17/343674517.db2.gz GKPOBYXYIIHOHB-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO CC(C)Oc1ccsc1C[NH3+] 90394368 343674939 /nfs/dbraw/zinc/67/49/39/343674939.db2.gz DHUTWJVKOYHRRN-UHFFFAOYSA-N 1 0 171.265 1.994 20 0 ADADRO C[C@H]([NH3+])Cc1cnn2c1CCCC2 90397986 343675027 /nfs/dbraw/zinc/67/50/27/343675027.db2.gz YPMOXLUOLQAPNY-QMMMGPOBSA-N 1 0 179.267 1.109 20 0 ADADRO C[NH2+]CCOc1cc(Cl)ccn1 91362110 343677450 /nfs/dbraw/zinc/67/74/50/343677450.db2.gz AOCMLFAYNRYYHT-UHFFFAOYSA-N 1 0 186.642 1.333 20 0 ADADRO Cc1cccc(-c2cncc(C[NH3+])c2)n1 91351643 343677457 /nfs/dbraw/zinc/67/74/57/343677457.db2.gz DANVSCLMOWZTID-UHFFFAOYSA-N 1 0 199.257 1.911 20 0 ADADRO N[C@H]1CC[N@H+](CC2CCCCCC2)C1 91363172 343677511 /nfs/dbraw/zinc/67/75/11/343677511.db2.gz NBYAUZUYZUOBMA-LBPRGKRZSA-N 1 0 196.338 1.990 20 0 ADADRO Cc1cccnc1-c1cncc(C[NH3+])c1 91351623 343677522 /nfs/dbraw/zinc/67/75/22/343677522.db2.gz RIARXHHPPQWECJ-UHFFFAOYSA-N 1 0 199.257 1.911 20 0 ADADRO Cn1cc(C[NH+]2CCCCCC2)nn1 92108616 343678367 /nfs/dbraw/zinc/67/83/67/343678367.db2.gz VGZVNRHYMVQCAW-UHFFFAOYSA-N 1 0 194.282 1.191 20 0 ADADRO CCC(CC)C[NH2+]Cc1cn(C)nn1 91897165 343678482 /nfs/dbraw/zinc/67/84/82/343678482.db2.gz CVGFJDHIJRHMEB-UHFFFAOYSA-N 1 0 196.298 1.341 20 0 ADADRO C[C@H](c1ccccn1)N1CC[C@@H]([NH3+])C1 95068267 343678700 /nfs/dbraw/zinc/67/87/00/343678700.db2.gz HNBRKLFRSDANRY-NXEZZACHSA-N 1 0 191.278 1.176 20 0 ADADRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccco1 95068352 343679147 /nfs/dbraw/zinc/67/91/47/343679147.db2.gz XVHYICSGEJHZAH-UWVGGRQHSA-N 1 0 194.278 1.682 20 0 ADADRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccco1 95068354 343679244 /nfs/dbraw/zinc/67/92/44/343679244.db2.gz XVHYICSGEJHZAH-VHSXEESVSA-N 1 0 194.278 1.682 20 0 ADADRO CC(C)[N@@H+]1CCC2(CCOCC2)C1 95088234 343680189 /nfs/dbraw/zinc/68/01/89/343680189.db2.gz ODAVPQOTDHQFRG-UHFFFAOYSA-N 1 0 183.295 1.897 20 0 ADADRO CC(C)[NH2+]Cc1nccn1C1CC1 95088481 343680224 /nfs/dbraw/zinc/68/02/24/343680224.db2.gz HGROEAWVFUMBHL-UHFFFAOYSA-N 1 0 179.267 1.716 20 0 ADADRO CC(C)n1ccnc1C[NH2+]C1CC1 95088212 343680305 /nfs/dbraw/zinc/68/03/05/343680305.db2.gz UTLPHHRMWOGFMG-UHFFFAOYSA-N 1 0 179.267 1.716 20 0 ADADRO CC(C)[NH2+]Cc1nccn1C(C)C 95088480 343680415 /nfs/dbraw/zinc/68/04/15/343680415.db2.gz MNDSTIMOEFIGAY-UHFFFAOYSA-N 1 0 181.283 1.962 20 0 ADADRO C[C@H]1COCC[C@H]1[NH2+]C1CC1 95091025 343680525 /nfs/dbraw/zinc/68/05/25/343680525.db2.gz PNNQJYMPQQBYHP-IONNQARKSA-N 1 0 155.241 1.163 20 0 ADADRO CCn1ccnc1[C@@H](C)[NH2+]C(C)C 95091256 343680683 /nfs/dbraw/zinc/68/06/83/343680683.db2.gz FOKGQGGFNIQEBJ-SECBINFHSA-N 1 0 181.283 1.962 20 0 ADADRO CCn1ccnc1[C@H](C)[NH2+]C(C)C 95091257 343680699 /nfs/dbraw/zinc/68/06/99/343680699.db2.gz FOKGQGGFNIQEBJ-VIFPVBQESA-N 1 0 181.283 1.962 20 0 ADADRO Cc1n[nH]c2c1CCC21CC[NH2+]CC1 95093071 343680707 /nfs/dbraw/zinc/68/07/07/343680707.db2.gz YSLQMJWXPRAMQZ-UHFFFAOYSA-N 1 0 191.278 1.286 20 0 ADADRO CCn1ccnc1[C@H](C)[NH2+]C1CC1 95091259 343680831 /nfs/dbraw/zinc/68/08/31/343680831.db2.gz QDDSHQMOONIXOO-QMMMGPOBSA-N 1 0 179.267 1.716 20 0 ADADRO Cc1cccc2c1C[NH2+]CC[C@@H]2O 95221082 343682899 /nfs/dbraw/zinc/68/28/99/343682899.db2.gz RUCWJKJKXMLOBH-NSHDSACASA-N 1 0 177.247 1.522 20 0 ADADRO Cc1cc(C)c2c(c1)[C@H](O)CC[NH2+]C2 95221086 343683250 /nfs/dbraw/zinc/68/32/50/343683250.db2.gz IVGOVJPTOUFWFO-GFCCVEGCSA-N 1 0 191.274 1.830 20 0 ADADRO Cc1cc(C)c2c(c1)[C@@H](O)CC[NH2+]C2 95221088 343683367 /nfs/dbraw/zinc/68/33/67/343683367.db2.gz IVGOVJPTOUFWFO-LBPRGKRZSA-N 1 0 191.274 1.830 20 0 ADADRO Fc1cnc([C@H]2CCC[NH2+]2)c(F)c1 95718845 343686039 /nfs/dbraw/zinc/68/60/39/343686039.db2.gz HLBRVLDFCRLHRG-MRVPVSSYSA-N 1 0 184.189 1.784 20 0 ADADRO Fc1cnc([C@@H]2CCC[NH2+]2)c(F)c1 95718851 343686159 /nfs/dbraw/zinc/68/61/59/343686159.db2.gz HLBRVLDFCRLHRG-QMMMGPOBSA-N 1 0 184.189 1.784 20 0 ADADRO Cc1cc(Cl)cc(C[NH3+])n1 95751516 343687167 /nfs/dbraw/zinc/68/71/67/343687167.db2.gz SPUPHJSEXARGJV-UHFFFAOYSA-N 1 0 156.616 1.502 20 0 ADADRO Cc1c(C[NH3+])ccnc1Cl 95762234 343687544 /nfs/dbraw/zinc/68/75/44/343687544.db2.gz FYRASFQXQLUTNM-UHFFFAOYSA-N 1 0 156.616 1.502 20 0 ADADRO C[N@@H+]1CC[C@H](CO)[C@@H]1c1ccccc1 95828860 343687700 /nfs/dbraw/zinc/68/77/00/343687700.db2.gz FVFQEFPFNMSBAB-NEPJUHHUSA-N 1 0 191.274 1.672 20 0 ADADRO C[N@@H+]1CC[C@@H](CO)[C@@H]1c1ccccc1 95828861 343687755 /nfs/dbraw/zinc/68/77/55/343687755.db2.gz FVFQEFPFNMSBAB-RYUDHWBXSA-N 1 0 191.274 1.672 20 0 in-vitro ADADRO C[N@H+](CCO)C1Cc2ccccc2C1 95794071 343687779 /nfs/dbraw/zinc/68/77/79/343687779.db2.gz OGCGTDWDFJGVRS-UHFFFAOYSA-N 1 0 191.274 1.078 20 0 ADADRO CC(C)n1cc2c(n1)[C@@H]([NH3+])CCC2 95829401 343688143 /nfs/dbraw/zinc/68/81/43/343688143.db2.gz GXNCFAWCECSKLK-VIFPVBQESA-N 1 0 179.267 1.800 20 0 in-vitro ADADRO Cc1cnc2[nH]c(C[NH3+])cc2c1 95830412 343688262 /nfs/dbraw/zinc/68/82/62/343688262.db2.gz HKCBPRYMLDLKCM-UHFFFAOYSA-N 1 0 161.208 1.330 20 0 ADADRO Cc1ccnc2[nH]c(C[NH3+])cc12 95830413 343688302 /nfs/dbraw/zinc/68/83/02/343688302.db2.gz MNVGSBMKDVZEGX-UHFFFAOYSA-N 1 0 161.208 1.330 20 0 ADADRO Cc1c([C@@H](C)[NH3+])sc2nccn12 95883862 343689036 /nfs/dbraw/zinc/68/90/36/343689036.db2.gz TXJBQYXFZOGQMO-RXMQYKEDSA-N 1 0 181.264 1.724 20 0 ADADRO Cc1c([C@H](C)[NH3+])sc2nccn12 95883863 343689113 /nfs/dbraw/zinc/68/91/13/343689113.db2.gz TXJBQYXFZOGQMO-YFKPBYRVSA-N 1 0 181.264 1.724 20 0 ADADRO Cc1ccc2c(c1)C=[NH+]CC2 95930432 343690695 /nfs/dbraw/zinc/69/06/95/343690695.db2.gz LEKVTJWRUHJMGO-UHFFFAOYSA-N 1 0 145.205 1.970 20 0 ADADRO CC(C)c1ncc2c(n1)CC[NH2+]CC2 95943633 343692403 /nfs/dbraw/zinc/69/24/03/343692403.db2.gz VZHBYJRIMURNMI-UHFFFAOYSA-N 1 0 191.278 1.288 20 0 ADADRO CC1(C)[NH2+]Cc2cnc(C3CC3)nc21 96028693 343692821 /nfs/dbraw/zinc/69/28/21/343692821.db2.gz HHNLFJPPJQUQOE-UHFFFAOYSA-N 1 0 189.262 1.692 20 0 ADADRO CC(C)[C@H](C)[NH2+]CCNC(=O)C1CC1 96033267 343693272 /nfs/dbraw/zinc/69/32/72/343693272.db2.gz VSIXILSRVCCFTH-VIFPVBQESA-N 1 0 198.310 1.147 20 0 ADADRO CC[C@@H](Cc1ccccc1)[NH2+]CCO 96033088 343693373 /nfs/dbraw/zinc/69/33/73/343693373.db2.gz VEWPIQABGISDHZ-LBPRGKRZSA-N 1 0 193.290 1.590 20 0 ADADRO CCC(CC)[NH2+]CCNC(=O)C1CC1 96033276 343693411 /nfs/dbraw/zinc/69/34/11/343693411.db2.gz IBYHLGLQZQRHKL-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@H](Cc1ccccc1)[NH2+]CCO 96033089 343693442 /nfs/dbraw/zinc/69/34/42/343693442.db2.gz VEWPIQABGISDHZ-GFCCVEGCSA-N 1 0 193.290 1.590 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CCNC(=O)C1CC1 96033266 343693512 /nfs/dbraw/zinc/69/35/12/343693512.db2.gz VSIXILSRVCCFTH-SECBINFHSA-N 1 0 198.310 1.147 20 0 ADADRO Cc1ccc2c(c1)[C@@H]([NH2+]CCO)CC2 96033282 343693548 /nfs/dbraw/zinc/69/35/48/343693548.db2.gz AGAADEIMXPEZPN-LBPRGKRZSA-N 1 0 191.274 1.564 20 0 ADADRO Cc1cccc(C)c1C[NH2+][C@@H](C)CO 96033845 343693684 /nfs/dbraw/zinc/69/36/84/343693684.db2.gz WPSXZNGWDWEAFH-NSHDSACASA-N 1 0 193.290 1.774 20 0 ADADRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccnc1 96033437 343693720 /nfs/dbraw/zinc/69/37/20/343693720.db2.gz TWZITSICFTWZTA-KOLCDFICSA-N 1 0 192.262 1.349 20 0 ADADRO CCC[NH2+]C1C[C@@H](C)O[C@H](C)C1 96033682 343693757 /nfs/dbraw/zinc/69/37/57/343693757.db2.gz DBZDABKEDGBNMO-RKDXNWHRSA-N 1 0 171.284 1.942 20 0 ADADRO Cc1cccc(C)c1C[NH2+][C@H](C)CO 96033846 343693772 /nfs/dbraw/zinc/69/37/72/343693772.db2.gz WPSXZNGWDWEAFH-LLVKDONJSA-N 1 0 193.290 1.774 20 0 ADADRO CCC[NH2+]C1C[C@H](C)O[C@@H](C)C1 96033683 343693820 /nfs/dbraw/zinc/69/38/20/343693820.db2.gz DBZDABKEDGBNMO-IUCAKERBSA-N 1 0 171.284 1.942 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@H]1CCO[C@H]1C 96033540 343693856 /nfs/dbraw/zinc/69/38/56/343693856.db2.gz DSXWOQCUECRLAY-GUBZILKMSA-N 1 0 171.284 1.798 20 0 ADADRO C[C@H]1OCC[C@@H]1[NH2+]C1CCCC1 96033445 343693885 /nfs/dbraw/zinc/69/38/85/343693885.db2.gz YQDXQLVZXMWUHS-SCZZXKLOSA-N 1 0 169.268 1.696 20 0 ADADRO CCCCC[NH2+][C@@H]1CCO[C@H]1C 96033481 343693894 /nfs/dbraw/zinc/69/38/94/343693894.db2.gz NEXMMUDAFVNRFG-VHSXEESVSA-N 1 0 171.284 1.944 20 0 ADADRO CCCC[NH2+][C@@H]1CCO[C@H]1C 96033433 343693903 /nfs/dbraw/zinc/69/39/03/343693903.db2.gz DRSRMKBASNWGFT-DTWKUNHWSA-N 1 0 157.257 1.554 20 0 ADADRO CCCCC[NH2+][C@H]1CCO[C@H]1C 96033482 343693908 /nfs/dbraw/zinc/69/39/08/343693908.db2.gz NEXMMUDAFVNRFG-UWVGGRQHSA-N 1 0 171.284 1.944 20 0 ADADRO CCn1nccc1C[NH2+]C1CCCC1 96033628 343693920 /nfs/dbraw/zinc/69/39/20/343693920.db2.gz DBFPRJUCLMUMSH-UHFFFAOYSA-N 1 0 193.294 1.935 20 0 ADADRO CCCC[NH2+][C@@H]1CCO[C@@H]1C 96033431 343693967 /nfs/dbraw/zinc/69/39/67/343693967.db2.gz DRSRMKBASNWGFT-RKDXNWHRSA-N 1 0 157.257 1.554 20 0 ADADRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1 96033497 343693976 /nfs/dbraw/zinc/69/39/76/343693976.db2.gz WYYROTROHMUABP-PWSUYJOCSA-N 1 0 191.274 1.954 20 0 ADADRO CCCC[NH2+][C@H]1CCO[C@@H]1C 96033432 343694026 /nfs/dbraw/zinc/69/40/26/343694026.db2.gz DRSRMKBASNWGFT-BDAKNGLRSA-N 1 0 157.257 1.554 20 0 ADADRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1 96033495 343694037 /nfs/dbraw/zinc/69/40/37/343694037.db2.gz WYYROTROHMUABP-ZYHUDNBSSA-N 1 0 191.274 1.954 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C 96033537 343694053 /nfs/dbraw/zinc/69/40/53/343694053.db2.gz DSXWOQCUECRLAY-IVZWLZJFSA-N 1 0 171.284 1.798 20 0 ADADRO C[C@H]1OCC[C@H]1[NH2+]Cc1cccnc1 96033435 343694060 /nfs/dbraw/zinc/69/40/60/343694060.db2.gz TWZITSICFTWZTA-MWLCHTKSSA-N 1 0 192.262 1.349 20 0 ADADRO CC[C@H]([NH2+]CCO)c1ccccc1F 96034227 343694397 /nfs/dbraw/zinc/69/43/97/343694397.db2.gz XSSOHQKGAASFTL-NSHDSACASA-N 1 0 197.253 1.859 20 0 ADADRO CC[C@@H]([NH2+]CCO)c1ccccc1F 96034228 343694539 /nfs/dbraw/zinc/69/45/39/343694539.db2.gz XSSOHQKGAASFTL-LLVKDONJSA-N 1 0 197.253 1.859 20 0 ADADRO FC(F)CN1CC[N@@H+]2CCC[C@H]2C1 96526020 343698791 /nfs/dbraw/zinc/69/87/91/343698791.db2.gz OAXMUAIBFYJLFF-QMMMGPOBSA-N 1 0 190.237 1.032 20 0 ADADRO FC(F)CN1CC[N@@H+]2CCC[C@@H]2C1 96526016 343698869 /nfs/dbraw/zinc/69/88/69/343698869.db2.gz OAXMUAIBFYJLFF-MRVPVSSYSA-N 1 0 190.237 1.032 20 0 ADADRO Cn1ccc(C[NH2+]C2CCCC2)n1 96543740 343699764 /nfs/dbraw/zinc/69/97/64/343699764.db2.gz TWCKVASREYWKMD-UHFFFAOYSA-N 1 0 179.267 1.452 20 0 ADADRO C[NH+](C)CCSc1ncc[nH]1 96551755 343699845 /nfs/dbraw/zinc/69/98/45/343699845.db2.gz UPUUAUURYGIPDF-UHFFFAOYSA-N 1 0 171.269 1.063 20 0 ADADRO Cc1noc(C)c1C[NH2+][C@@H](C)CCO 96811708 343700663 /nfs/dbraw/zinc/70/06/63/343700663.db2.gz NNDXMEXOWWYJPM-ZETCQYMHSA-N 1 0 198.266 1.152 20 0 ADADRO CSCCC[NH2+]Cc1ccn(C)n1 96731403 343700651 /nfs/dbraw/zinc/70/06/51/343700651.db2.gz ZCDRVAROCSBANR-UHFFFAOYSA-N 1 0 199.323 1.263 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1ccco1 96811480 343700654 /nfs/dbraw/zinc/70/06/54/343700654.db2.gz FISFYXXGVQXARC-QMMMGPOBSA-N 1 0 169.224 1.140 20 0 ADADRO Cc1cccc(C[NH2+][C@@H](C)CCO)c1 96811416 343700656 /nfs/dbraw/zinc/70/06/56/343700656.db2.gz LYZHPFKPVADVTA-NSHDSACASA-N 1 0 193.290 1.856 20 0 ADADRO Cc1ccc(C[NH2+][C@H](C)CCO)o1 96811757 343700687 /nfs/dbraw/zinc/70/06/87/343700687.db2.gz BFVSEIZRVAIWFE-MRVPVSSYSA-N 1 0 183.251 1.449 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1cccc(F)c1 96811539 343700712 /nfs/dbraw/zinc/70/07/12/343700712.db2.gz METQDVIUAXVTMY-SECBINFHSA-N 1 0 197.253 1.686 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1nccs1 96811396 343700717 /nfs/dbraw/zinc/70/07/17/343700717.db2.gz BCFUMICNINFDAD-ZETCQYMHSA-N 1 0 186.280 1.004 20 0 ADADRO C[C@@H](CCO)[NH2+]CC(C)(C)C 96811646 343700732 /nfs/dbraw/zinc/70/07/32/343700732.db2.gz IFXRHAOYPKLXRX-QMMMGPOBSA-N 1 0 159.273 1.393 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1ccc(F)cc1 96811804 343700735 /nfs/dbraw/zinc/70/07/35/343700735.db2.gz NIGRCUPOKDXCOK-VIFPVBQESA-N 1 0 197.253 1.686 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1cscn1 96811718 343700771 /nfs/dbraw/zinc/70/07/71/343700771.db2.gz FXWZLYKTVRTERC-ZETCQYMHSA-N 1 0 186.280 1.004 20 0 ADADRO C[C@H](CCO)[NH2+]CC(C)(C)C 96811647 343700793 /nfs/dbraw/zinc/70/07/93/343700793.db2.gz IFXRHAOYPKLXRX-MRVPVSSYSA-N 1 0 159.273 1.393 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1ccccc1F 96811536 343700813 /nfs/dbraw/zinc/70/08/13/343700813.db2.gz XMBUJUWCIKOERJ-VIFPVBQESA-N 1 0 197.253 1.686 20 0 ADADRO Cc1cccc(C[NH2+][C@H](C)CCO)c1 96811417 343700822 /nfs/dbraw/zinc/70/08/22/343700822.db2.gz LYZHPFKPVADVTA-LLVKDONJSA-N 1 0 193.290 1.856 20 0 ADADRO Cc1noc(C)c1C[NH2+][C@H](C)CCO 96811709 343700844 /nfs/dbraw/zinc/70/08/44/343700844.db2.gz NNDXMEXOWWYJPM-SSDOTTSWSA-N 1 0 198.266 1.152 20 0 ADADRO Cc1ccc(C[NH2+][C@H](C)CCO)cc1 96811675 343700848 /nfs/dbraw/zinc/70/08/48/343700848.db2.gz QSBLMBVWEXGPFO-LLVKDONJSA-N 1 0 193.290 1.856 20 0 ADADRO Cc1ccc(C[NH2+][C@@H](C)CCO)cc1 96811674 343700863 /nfs/dbraw/zinc/70/08/63/343700863.db2.gz QSBLMBVWEXGPFO-NSHDSACASA-N 1 0 193.290 1.856 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1cccc(F)c1 96811538 343700870 /nfs/dbraw/zinc/70/08/70/343700870.db2.gz METQDVIUAXVTMY-VIFPVBQESA-N 1 0 197.253 1.686 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1cscn1 96811719 343700876 /nfs/dbraw/zinc/70/08/76/343700876.db2.gz FXWZLYKTVRTERC-SSDOTTSWSA-N 1 0 186.280 1.004 20 0 ADADRO Cc1ccsc1C[NH2+][C@H](C)CCO 96811621 343700893 /nfs/dbraw/zinc/70/08/93/343700893.db2.gz KKZVLFNNZUWYBK-SECBINFHSA-N 1 0 199.319 1.917 20 0 ADADRO Cc1ccccc1C[NH2+][C@H](C)CCO 96811745 343700894 /nfs/dbraw/zinc/70/08/94/343700894.db2.gz VBFGUWRFTILGEJ-LLVKDONJSA-N 1 0 193.290 1.856 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1cccc(O)c1 96811343 343700899 /nfs/dbraw/zinc/70/08/99/343700899.db2.gz XVAKFKWHBZHDEV-SECBINFHSA-N 1 0 195.262 1.253 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1cccc(O)c1 96811342 343700904 /nfs/dbraw/zinc/70/09/04/343700904.db2.gz XVAKFKWHBZHDEV-VIFPVBQESA-N 1 0 195.262 1.253 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1ccccc1F 96811537 343700910 /nfs/dbraw/zinc/70/09/10/343700910.db2.gz XMBUJUWCIKOERJ-SECBINFHSA-N 1 0 197.253 1.686 20 0 ADADRO Cc1ccsc1C[NH2+][C@@H](C)CCO 96811620 343700916 /nfs/dbraw/zinc/70/09/16/343700916.db2.gz KKZVLFNNZUWYBK-VIFPVBQESA-N 1 0 199.319 1.917 20 0 ADADRO Cn1ccc(C[NH2+][C@@H]2CC=CCC2)n1 96731410 343700940 /nfs/dbraw/zinc/70/09/40/343700940.db2.gz ZXNFYKRDIACZEV-SNVBAGLBSA-N 1 0 191.278 1.618 20 0 ADADRO Cc1ccccc1C[NH2+][C@@H](C)CCO 96811744 343700953 /nfs/dbraw/zinc/70/09/53/343700953.db2.gz VBFGUWRFTILGEJ-NSHDSACASA-N 1 0 193.290 1.856 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1nccs1 96811397 343700971 /nfs/dbraw/zinc/70/09/71/343700971.db2.gz BCFUMICNINFDAD-SSDOTTSWSA-N 1 0 186.280 1.004 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1ccco1 96811481 343700985 /nfs/dbraw/zinc/70/09/85/343700985.db2.gz FISFYXXGVQXARC-MRVPVSSYSA-N 1 0 169.224 1.140 20 0 ADADRO CC(C)[C@H](C[NH3+])c1cnccn1 96862362 343701156 /nfs/dbraw/zinc/70/11/56/343701156.db2.gz AQKAEGTZXVFCQM-QMMMGPOBSA-N 1 0 165.240 1.175 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1cccs1 96811833 343701250 /nfs/dbraw/zinc/70/12/50/343701250.db2.gz UFDIEKZOJSBYQI-MRVPVSSYSA-N 1 0 185.292 1.609 20 0 ADADRO C[C@@H](CCO)[NH2+]Cc1cccs1 96811832 343701307 /nfs/dbraw/zinc/70/13/07/343701307.db2.gz UFDIEKZOJSBYQI-QMMMGPOBSA-N 1 0 185.292 1.609 20 0 ADADRO CC(C)[C@@H](C[NH3+])c1cnccn1 96862361 343701315 /nfs/dbraw/zinc/70/13/15/343701315.db2.gz AQKAEGTZXVFCQM-MRVPVSSYSA-N 1 0 165.240 1.175 20 0 ADADRO C[C@H](CCO)[NH2+]Cc1ccc(F)cc1 96811805 343701537 /nfs/dbraw/zinc/70/15/37/343701537.db2.gz NIGRCUPOKDXCOK-SECBINFHSA-N 1 0 197.253 1.686 20 0 ADADRO CC(C)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 97458350 343701709 /nfs/dbraw/zinc/70/17/09/343701709.db2.gz JOCNIQXTDSOKOS-ZJUUUORDSA-N 1 0 168.284 1.221 20 0 ADADRO C[C@H]([NH3+])CN(C)Cc1ccccc1 97125331 343702035 /nfs/dbraw/zinc/70/20/35/343702035.db2.gz AVTMHOATGUADSI-JTQLQIEISA-N 1 0 178.279 1.466 20 0 in-vitro ADADRO CC1CCC([NH2+][C@@H](C)CCO)CC1 97603130 343702451 /nfs/dbraw/zinc/70/24/51/343702451.db2.gz JDZFSKANNPVAPE-YVNMAJEFSA-N 1 0 185.311 1.926 20 0 ADADRO CC1CCC([NH2+][C@H](C)CCO)CC1 97603132 343702504 /nfs/dbraw/zinc/70/25/04/343702504.db2.gz JDZFSKANNPVAPE-HSOILSAZSA-N 1 0 185.311 1.926 20 0 ADADRO Cn1ccc(C[NH2+]CCC2CC2)n1 97604877 343702642 /nfs/dbraw/zinc/70/26/42/343702642.db2.gz UQUHNGVCIJYAFJ-UHFFFAOYSA-N 1 0 179.267 1.310 20 0 ADADRO CC1(C)[NH2+]Cc2cnccc21 97757727 343703528 /nfs/dbraw/zinc/70/35/28/343703528.db2.gz OQBDFPGVQOBFET-UHFFFAOYSA-N 1 0 148.209 1.420 20 0 ADADRO [NH2+]=C(NCC(F)F)NC1CCCC1 97994860 343704045 /nfs/dbraw/zinc/70/40/45/343704045.db2.gz ZDEVZBZRDKCYGD-UHFFFAOYSA-N 1 0 191.225 1.308 20 0 ADADRO COC[C@H](C)[NH2+]CCCC(F)(F)F 97988658 343704049 /nfs/dbraw/zinc/70/40/49/343704049.db2.gz DZHZHKXTCNABHR-ZETCQYMHSA-N 1 0 199.216 1.953 20 0 ADADRO COC[C@@H](C)[NH2+]CCCC(F)(F)F 97988659 343704421 /nfs/dbraw/zinc/70/44/21/343704421.db2.gz DZHZHKXTCNABHR-SSDOTTSWSA-N 1 0 199.216 1.953 20 0 ADADRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH3+] 98096558 343705366 /nfs/dbraw/zinc/70/53/66/343705366.db2.gz FZIWXKNYLARCQS-IUCAKERBSA-N 1 0 195.266 1.082 20 0 ADADRO C[N@@H+]1Cc2cc(N)ccc2C1(C)C 98096545 343705463 /nfs/dbraw/zinc/70/54/63/343705463.db2.gz QAWIGFGJXOCTRI-UHFFFAOYSA-N 1 0 176.263 1.949 20 0 in-vitro ADADRO C[C@]1(C[NH3+])CCc2ccccc2C1=O 98095974 343705512 /nfs/dbraw/zinc/70/55/12/343705512.db2.gz AUMVIBBNUYTTSI-GFCCVEGCSA-N 1 0 189.258 1.781 20 0 ADADRO C[C@H]1C[C@@H]([NH3+])C(=O)c2ccccc21 98095970 343705516 /nfs/dbraw/zinc/70/55/16/343705516.db2.gz LXRIQMBYSYFUAA-OIBJUYFYSA-N 1 0 175.231 1.704 20 0 ADADRO C[C@H]1C[C@H]([NH3+])C(=O)c2ccccc21 98095968 343705524 /nfs/dbraw/zinc/70/55/24/343705524.db2.gz LXRIQMBYSYFUAA-XVKPBYJWSA-N 1 0 175.231 1.704 20 0 ADADRO C[N@H+](CCN)C(C1CC1)C1CC1 98095724 343705625 /nfs/dbraw/zinc/70/56/25/343705625.db2.gz HHYUTOWJOSWFPH-UHFFFAOYSA-N 1 0 168.284 1.066 20 0 ADADRO Cc1nc(C)c(Cl)c(NN)[nH+]1 98179655 343705947 /nfs/dbraw/zinc/70/59/47/343705947.db2.gz GMQFSPXWIHFXCC-UHFFFAOYSA-N 1 0 172.619 1.032 20 0 ADADRO CC[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 98197637 343707055 /nfs/dbraw/zinc/70/70/55/343707055.db2.gz XXNHOXFIZJWIMQ-SNVBAGLBSA-N 1 0 198.310 1.197 20 0 ADADRO C[C@H](CF)[NH2+]C1CCN(C)CC1 98188429 343707124 /nfs/dbraw/zinc/70/71/24/343707124.db2.gz PKOYTJXYNMMDSI-MRVPVSSYSA-N 1 0 174.263 1.028 20 0 ADADRO CC[C@H]1CCCN(C(=O)C[NH+](C)C)C1 98197638 343707159 /nfs/dbraw/zinc/70/71/59/343707159.db2.gz XXNHOXFIZJWIMQ-JTQLQIEISA-N 1 0 198.310 1.197 20 0 ADADRO C[C@H]1[NH2+]CC[C@H]1C(F)(F)F 98210109 343707520 /nfs/dbraw/zinc/70/75/20/343707520.db2.gz QQXQZXDBICHVKM-RFZPGFLSSA-N 1 0 153.147 1.547 20 0 ADADRO 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104603869 343734217 /nfs/dbraw/zinc/73/42/17/343734217.db2.gz VNMCWTPEADRUFW-ZCFIWIBFSA-N 1 0 113.204 1.252 20 0 ADADRO CC[C@H]([NH3+])c1cccc(OC)n1 104669405 343734577 /nfs/dbraw/zinc/73/45/77/343734577.db2.gz RUCLVZZNRUKYFG-ZETCQYMHSA-N 1 0 166.224 1.500 20 0 ADADRO COC(=O)c1ccc([C@H](C)[NH3+])c(C)c1 104678762 343734641 /nfs/dbraw/zinc/73/46/41/343734641.db2.gz PBEVHJSUEHJOQD-QMMMGPOBSA-N 1 0 193.246 1.801 20 0 ADADRO CC(C)[NH2+]Cc1cn2ccsc2n1 105971718 343737634 /nfs/dbraw/zinc/73/76/34/343737634.db2.gz SRHYZJBUIMRFKF-UHFFFAOYSA-N 1 0 195.291 1.894 20 0 ADADRO COC(=O)[C@@H]1CCCC[N@@H+]1CC(C)C 106000349 343737763 /nfs/dbraw/zinc/73/77/63/343737763.db2.gz SOQJPIAPKZUXSY-JTQLQIEISA-N 1 0 199.294 1.670 20 0 ADADRO COC(=O)[C@H]1CCCC[N@@H+]1CC(C)C 106000344 343737796 /nfs/dbraw/zinc/73/77/96/343737796.db2.gz SOQJPIAPKZUXSY-SNVBAGLBSA-N 1 0 199.294 1.670 20 0 ADADRO CCC(=O)N(C1CC[NH2+]CC1)C1CC1 106873595 343739233 /nfs/dbraw/zinc/73/92/33/343739233.db2.gz VMAHXNDPLFHLPO-UHFFFAOYSA-N 1 0 196.294 1.139 20 0 ADADRO CNC(=O)C1CCC([NH2+]C(C)C)CC1 106875706 343739699 /nfs/dbraw/zinc/73/96/99/343739699.db2.gz LTUXQXVGHLMFTB-UHFFFAOYSA-N 1 0 198.310 1.289 20 0 ADADRO [NH3+][C@H](CF)c1cccc(O)c1 107117879 343740890 /nfs/dbraw/zinc/74/08/90/343740890.db2.gz QUQHMKDUEQPGOO-MRVPVSSYSA-N 1 0 155.172 1.362 20 0 ADADRO [NH3+][C@H](CF)c1ccc(O)cc1 107117885 343741015 /nfs/dbraw/zinc/74/10/15/343741015.db2.gz GBDQZMFFLYPRGS-MRVPVSSYSA-N 1 0 155.172 1.362 20 0 ADADRO [NH3+][C@@H](CF)c1cccc(O)c1 107117882 343741079 /nfs/dbraw/zinc/74/10/79/343741079.db2.gz QUQHMKDUEQPGOO-QMMMGPOBSA-N 1 0 155.172 1.362 20 0 ADADRO [NH3+][C@@H](CF)c1ccc(O)cc1 107117887 343741075 /nfs/dbraw/zinc/74/10/75/343741075.db2.gz GBDQZMFFLYPRGS-QMMMGPOBSA-N 1 0 155.172 1.362 20 0 ADADRO [NH3+]Cc1cccc2sncc12 107120396 343741584 /nfs/dbraw/zinc/74/15/84/343741584.db2.gz DWGRECMTIYVIJH-UHFFFAOYSA-N 1 0 164.233 1.755 20 0 ADADRO [NH3+]C1CCC(c2ccncn2)CC1 107125986 343742286 /nfs/dbraw/zinc/74/22/86/343742286.db2.gz 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343763694 /nfs/dbraw/zinc/76/36/94/343763694.db2.gz MDMZMPHCUUKFEV-UHFFFAOYSA-N 1 0 170.300 1.424 20 0 ADADRO CC(C)(C)OCC[NH+]1CCCC1 114658365 343763830 /nfs/dbraw/zinc/76/38/30/343763830.db2.gz VUVVDDCBCLMDME-UHFFFAOYSA-N 1 0 171.284 1.897 20 0 ADADRO CC[C@@H]1COCC[N@@H+]1CC 114789212 343764000 /nfs/dbraw/zinc/76/40/00/343764000.db2.gz VZAPALWYTDBZDX-MRVPVSSYSA-N 1 0 143.230 1.117 20 0 ADADRO CC(C)N1CCC[N@@H+](C(C)C)CC1 114689543 343764188 /nfs/dbraw/zinc/76/41/88/343764188.db2.gz SDJACUMREWIJDO-UHFFFAOYSA-N 1 0 184.327 1.811 20 0 ADADRO CC[C@H]1COCC[N@@H+]1CC 114789213 343764417 /nfs/dbraw/zinc/76/44/17/343764417.db2.gz VZAPALWYTDBZDX-QMMMGPOBSA-N 1 0 143.230 1.117 20 0 ADADRO F[C@H]1CCN(Cc2cccnc2)C1 114880887 343764783 /nfs/dbraw/zinc/76/47/83/343764783.db2.gz LOHGPTADDNWQIG-JTQLQIEISA-N 1 0 180.226 1.625 20 0 ADADRO F[C@H]1CCN(Cc2ccccn2)C1 114880892 343764977 /nfs/dbraw/zinc/76/49/77/343764977.db2.gz NQEPBGUKALBPOQ-VIFPVBQESA-N 1 0 180.226 1.625 20 0 ADADRO Fc1cnccc1C[NH+]1CCCC1 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/nfs/dbraw/zinc/86/69/45/343866945.db2.gz RXOLWFOGTAYABO-UTLUCORTSA-N 1 0 181.279 1.886 20 0 ADADRO CC(C)C(=O)C[C@H]1C[C@H](C)CC[NH2+]1 130332284 343866951 /nfs/dbraw/zinc/86/69/51/343866951.db2.gz DJDPQADWYZGXFD-NXEZZACHSA-N 1 0 183.295 1.990 20 0 ADADRO CC(C)C(=O)C[C@@H]1C[C@H](C)CC[NH2+]1 130331843 343866953 /nfs/dbraw/zinc/86/69/53/343866953.db2.gz DJDPQADWYZGXFD-ZJUUUORDSA-N 1 0 183.295 1.990 20 0 ADADRO C[C@@H]1CCC[C@H]([C@@H]2CCCC2=O)[NH2+]1 130318024 343866954 /nfs/dbraw/zinc/86/69/54/343866954.db2.gz RXOLWFOGTAYABO-KXUCPTDWSA-N 1 0 181.279 1.886 20 0 ADADRO CC(=O)C[C@@H]1C[C@H](C)CC[NH2+]1 130330128 343866966 /nfs/dbraw/zinc/86/69/66/343866966.db2.gz HLCAXPMFSOUXEF-APPZFPTMSA-N 1 0 155.241 1.354 20 0 ADADRO CC(=O)C[C@H]1C[C@@H](C)CC[NH2+]1 130330790 343866993 /nfs/dbraw/zinc/86/69/93/343866993.db2.gz HLCAXPMFSOUXEF-IONNQARKSA-N 1 0 155.241 1.354 20 0 ADADRO C[C@@H]1CCC[C@@H]([C@@H]2COCCC2=O)[NH2+]1 130382668 343867337 /nfs/dbraw/zinc/86/73/37/343867337.db2.gz BCYIBRIDYJFNNR-UTLUCORTSA-N 1 0 197.278 1.123 20 0 ADADRO CC1CC([NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 130382700 343867398 /nfs/dbraw/zinc/86/73/98/343867398.db2.gz KQTZFVQHHUHFST-POSLAHMBSA-N 1 0 196.338 1.715 20 0 ADADRO Cc1cc([C@H](O)CC[NH3+])cs1 130351740 343867439 /nfs/dbraw/zinc/86/74/39/343867439.db2.gz ARTOWUXSSMDOOY-MRVPVSSYSA-N 1 0 171.265 1.439 20 0 ADADRO C[C@@H]1CCC[C@H]([C@@H]2COCCC2=O)[NH2+]1 130382202 343867458 /nfs/dbraw/zinc/86/74/58/343867458.db2.gz BCYIBRIDYJFNNR-KXUCPTDWSA-N 1 0 197.278 1.123 20 0 ADADRO C[C@@H]1CC[NH2+][C@@H]([C@@H](C)C(=O)C2CC2)C1 130350308 343867543 /nfs/dbraw/zinc/86/75/43/343867543.db2.gz APYRBTIFLDZCAQ-FXPVBKGRSA-N 1 0 195.306 1.990 20 0 ADADRO Cc1cc([C@@H](O)CC[NH3+])cs1 130351937 343867678 /nfs/dbraw/zinc/86/76/78/343867678.db2.gz ARTOWUXSSMDOOY-QMMMGPOBSA-N 1 0 171.265 1.439 20 0 ADADRO C[C@@H]1OCC[C@H]1[NH2+]CC1(C)CCC1 130538115 343869700 /nfs/dbraw/zinc/86/97/00/343869700.db2.gz PTRTUHXDLRUBAJ-VHSXEESVSA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C[NH2+][C@@H]2CCCOC2)CCC1 130533191 343869710 /nfs/dbraw/zinc/86/97/10/343869710.db2.gz YYVGWLGMSLYMHC-SNVBAGLBSA-N 1 0 183.295 1.945 20 0 ADADRO C[C@@H]1OCC[C@@H]1[NH2+]CC1(C)CCC1 130538523 343869961 /nfs/dbraw/zinc/86/99/61/343869961.db2.gz PTRTUHXDLRUBAJ-UWVGGRQHSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@H]1OCC[C@H]1[NH2+]CC1(C)CCC1 130537901 343869967 /nfs/dbraw/zinc/86/99/67/343869967.db2.gz PTRTUHXDLRUBAJ-NXEZZACHSA-N 1 0 183.295 1.944 20 0 ADADRO Cc1cccc(N[C@@H](C)C[NH+](C)C)n1 130621978 343870988 /nfs/dbraw/zinc/87/09/88/343870988.db2.gz JWNJQTLTIIHKAX-JTQLQIEISA-N 1 0 193.294 1.752 20 0 ADADRO C[C@@H](C[NH+](C)C)Nc1ncccc1F 130599821 343871024 /nfs/dbraw/zinc/87/10/24/343871024.db2.gz DFKRPMUUTIETQV-QMMMGPOBSA-N 1 0 197.257 1.583 20 0 ADADRO Cc1cnc(N[C@@H](C)C[NH+](C)C)nc1 130598016 343871030 /nfs/dbraw/zinc/87/10/30/343871030.db2.gz WDIBIDGLDPXIDE-VIFPVBQESA-N 1 0 194.282 1.147 20 0 ADADRO Cc1ccnc(N[C@@H](C)C[NH+](C)C)n1 130611260 343871039 /nfs/dbraw/zinc/87/10/39/343871039.db2.gz YDDOBYQKLAKDET-VIFPVBQESA-N 1 0 194.282 1.147 20 0 ADADRO C[C@@H](C[NH+](C)C)Nc1cccc(F)n1 130658614 343872265 /nfs/dbraw/zinc/87/22/65/343872265.db2.gz PTGYFYIJPZJGRR-QMMMGPOBSA-N 1 0 197.257 1.583 20 0 ADADRO C1=C[C@H]([NH2+][C@@H]2CCOC2)CCC1 130688312 343872626 /nfs/dbraw/zinc/87/26/26/343872626.db2.gz LCLKPOMYCPWLTK-VHSXEESVSA-N 1 0 167.252 1.474 20 0 ADADRO C1=C[C@@H]([NH2+][C@H]2CCOC2)CCC1 130688936 343872679 /nfs/dbraw/zinc/87/26/79/343872679.db2.gz LCLKPOMYCPWLTK-ZJUUUORDSA-N 1 0 167.252 1.474 20 0 ADADRO COC(=O)[C@H]1CCCC[N@@H+]1CC1CC1 130709427 343873245 /nfs/dbraw/zinc/87/32/45/343873245.db2.gz IODYVZRVIHBBKO-SNVBAGLBSA-N 1 0 197.278 1.424 20 0 ADADRO CN1CCC([NH2+][C@H]2C=CCCC2)CC1 130691813 343873267 /nfs/dbraw/zinc/87/32/67/343873267.db2.gz KZHPDIYKNYASBT-NSHDSACASA-N 1 0 194.322 1.779 20 0 ADADRO CC[C@H](C)C[N@@H+]1CC[C@@H](N)C1 130766148 343874658 /nfs/dbraw/zinc/87/46/58/343874658.db2.gz MNFIPDFEZQSIKU-DTWKUNHWSA-N 1 0 156.273 1.066 20 0 ADADRO OC1(C[NH+]2CCCCCC2)CCC1 130768830 343875117 /nfs/dbraw/zinc/87/51/17/343875117.db2.gz MYNKHZDEHVPWNK-UHFFFAOYSA-N 1 0 183.295 1.777 20 0 ADADRO CC(=O)N1CC[C@H]([NH2+][C@H](C)C(C)C)C1 130805176 343875441 /nfs/dbraw/zinc/87/54/41/343875441.db2.gz XQEOEAQDBBSIIV-KOLCDFICSA-N 1 0 198.310 1.241 20 0 ADADRO CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 130798428 343875764 /nfs/dbraw/zinc/87/57/64/343875764.db2.gz VBTYJZDDQITITC-GXSJLCMTSA-N 1 0 198.310 1.385 20 0 ADADRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(C)C)C1 130804935 343875816 /nfs/dbraw/zinc/87/58/16/343875816.db2.gz XQEOEAQDBBSIIV-GXSJLCMTSA-N 1 0 198.310 1.241 20 0 ADADRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(C)C)C1 130805340 343875841 /nfs/dbraw/zinc/87/58/41/343875841.db2.gz XQEOEAQDBBSIIV-ONGXEEELSA-N 1 0 198.310 1.241 20 0 ADADRO CCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 130798214 343875943 /nfs/dbraw/zinc/87/59/43/343875943.db2.gz VBTYJZDDQITITC-MWLCHTKSSA-N 1 0 198.310 1.385 20 0 ADADRO CCC(CC)[NH2+][C@@H]1CCN(C(C)=O)C1 130804276 343875945 /nfs/dbraw/zinc/87/59/45/343875945.db2.gz WCTWQFJAMPLBKR-LLVKDONJSA-N 1 0 198.310 1.385 20 0 ADADRO CSCCC[NH2+]CC1(O)CCC1 131116417 343879746 /nfs/dbraw/zinc/87/97/46/343879746.db2.gz KGYRGYNVWYVNBR-UHFFFAOYSA-N 1 0 189.324 1.244 20 0 ADADRO C1=CCC([NH2+]Cc2cc[nH]c2)C1 131174073 343881210 /nfs/dbraw/zinc/88/12/10/343881210.db2.gz ZZYIDAYBJRDLTF-UHFFFAOYSA-N 1 0 162.236 1.823 20 0 ADADRO C1=CCC([NH2+]Cc2ncc[nH]2)C1 131185577 343881233 /nfs/dbraw/zinc/88/12/33/343881233.db2.gz BNFRGPJJVACNNJ-UHFFFAOYSA-N 1 0 163.224 1.218 20 0 ADADRO C1=CCC([NH2+]Cc2ccccn2)C1 131185347 343881276 /nfs/dbraw/zinc/88/12/76/343881276.db2.gz YZKKNHXQCSSLJW-UHFFFAOYSA-N 1 0 174.247 1.890 20 0 ADADRO CSCCn1ccnc1C 131224793 343881979 /nfs/dbraw/zinc/88/19/79/343881979.db2.gz VKHBJJCWBNDKOS-UHFFFAOYSA-N 1 0 156.254 1.555 20 0 ADADRO CC(C)(C)C1C[NH+](CC2(O)CCC2)C1 131304194 343883200 /nfs/dbraw/zinc/88/32/00/343883200.db2.gz JUJMWVFZVCQYTI-UHFFFAOYSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@@H](CC[S@@](C)=O)[NH2+]CC1CC1 131306414 343883284 /nfs/dbraw/zinc/88/32/84/343883284.db2.gz MTYHSVHSFZZLJU-UFBFGSQYSA-N 1 0 189.324 1.143 20 0 ADADRO OC1(C[NH+]2CC3(CCCC3)C2)CCC1 131300988 343883319 /nfs/dbraw/zinc/88/33/19/343883319.db2.gz MGLXOZCCCPDFAA-UHFFFAOYSA-N 1 0 195.306 1.777 20 0 ADADRO C[C@H](CC[S@](C)=O)[NH2+]CC1CC1 131306226 343883387 /nfs/dbraw/zinc/88/33/87/343883387.db2.gz MTYHSVHSFZZLJU-PRHODGIISA-N 1 0 189.324 1.143 20 0 ADADRO C[C@H](CC[S@@](C)=O)[NH2+]CC1CC1 131306633 343883449 /nfs/dbraw/zinc/88/34/49/343883449.db2.gz MTYHSVHSFZZLJU-PELKAZGASA-N 1 0 189.324 1.143 20 0 ADADRO C[C@@H](CC[S@](C)=O)[NH2+]CC1CC1 131305998 343883489 /nfs/dbraw/zinc/88/34/89/343883489.db2.gz MTYHSVHSFZZLJU-QPUJVOFHSA-N 1 0 189.324 1.143 20 0 ADADRO CSCCC(C)(C)[NH3+] 131591424 343886702 /nfs/dbraw/zinc/88/67/02/343886702.db2.gz YFVBCAVONOZEII-UHFFFAOYSA-N 1 0 133.260 1.477 20 0 ADADRO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CO)C1 131641857 343887235 /nfs/dbraw/zinc/88/72/35/343887235.db2.gz 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/nfs/dbraw/zinc/96/80/72/343968072.db2.gz RDFMRQXKKDVIPW-HTQZYQBOSA-N 1 0 196.250 1.194 20 0 ADADRO C1=[NH+]CCN1Cc1ccccc1 135866885 343969490 /nfs/dbraw/zinc/96/94/90/343969490.db2.gz BCFKVTZTWPPNNZ-UHFFFAOYSA-N 1 0 160.220 1.531 20 0 ADADRO Cc1cn2c([nH+]1)N[C@@H](C)C[C@H]2C 135898879 343970830 /nfs/dbraw/zinc/97/08/30/343970830.db2.gz ANNOHWBSCIEDFX-POYBYMJQSA-N 1 0 165.240 1.957 20 0 ADADRO Cc1cn2c([nH+]1)N[C@@H](C)C[C@@H]2C 135898826 343970890 /nfs/dbraw/zinc/97/08/90/343970890.db2.gz ANNOHWBSCIEDFX-XPUUQOCRSA-N 1 0 165.240 1.957 20 0 ADADRO CCC[NH+]1CCN(C(C)C)CC1 135891701 343970973 /nfs/dbraw/zinc/97/09/73/343970973.db2.gz AFVCUKQSPSQCNU-UHFFFAOYSA-N 1 0 170.300 1.422 20 0 ADADRO Cc1cn2c([nH+]1)N[C@H](C)C[C@@H]2C 135898790 343971059 /nfs/dbraw/zinc/97/10/59/343971059.db2.gz ANNOHWBSCIEDFX-SVRRBLITSA-N 1 0 165.240 1.957 20 0 ADADRO Cc1cn2c([nH+]1)N[C@H](C)C[C@H]2C 135898849 343971268 /nfs/dbraw/zinc/97/12/68/343971268.db2.gz ANNOHWBSCIEDFX-HTRCEHHLSA-N 1 0 165.240 1.957 20 0 ADADRO 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/nfs/dbraw/zinc/97/51/63/343975163.db2.gz AERMILPQYKKJGP-CIUDSAMLSA-N 1 0 184.283 1.123 20 0 ADADRO Cc1n[nH]cc1C[NH2+]C[C@@H]1C[C@@H]1C 136139358 343975263 /nfs/dbraw/zinc/97/52/63/343975263.db2.gz MWBITQGZGAHOAZ-CBAPKCEASA-N 1 0 179.267 1.464 20 0 ADADRO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H](C)[NH3+] 136132558 343975295 /nfs/dbraw/zinc/97/52/95/343975295.db2.gz AERMILPQYKKJGP-DJLDLDEBSA-N 1 0 184.283 1.123 20 0 ADADRO Cc1n[nH]cc1C[NH2+]C[C@H]1C[C@H]1C 136139464 343975334 /nfs/dbraw/zinc/97/53/34/343975334.db2.gz MWBITQGZGAHOAZ-VXNVDRBHSA-N 1 0 179.267 1.464 20 0 ADADRO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H](C)[NH3+] 136133750 343975368 /nfs/dbraw/zinc/97/53/68/343975368.db2.gz AERMILPQYKKJGP-HRDYMLBCSA-N 1 0 184.283 1.123 20 0 ADADRO Cc1n[nH]cc1C[NH2+]C[C@@H]1C[C@H]1C 136139426 343975391 /nfs/dbraw/zinc/97/53/91/343975391.db2.gz MWBITQGZGAHOAZ-APPZFPTMSA-N 1 0 179.267 1.464 20 0 ADADRO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[C@H]1C 136139285 343975404 /nfs/dbraw/zinc/97/54/04/343975404.db2.gz 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CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 137964559 343987591 /nfs/dbraw/zinc/98/75/91/343987591.db2.gz ZGWXNBKVALWQPL-NSHDSACASA-N 1 0 196.294 1.093 20 0 ADADRO CCN1CCC[C@H]1C[NH+]1CCCC1 138019544 343987732 /nfs/dbraw/zinc/98/77/32/343987732.db2.gz QEXAABUUPZABDJ-NSHDSACASA-N 1 0 182.311 1.567 20 0 ADADRO CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 137964466 343987795 /nfs/dbraw/zinc/98/77/95/343987795.db2.gz ZGWXNBKVALWQPL-LLVKDONJSA-N 1 0 196.294 1.093 20 0 ADADRO CCCCN1CC[NH+](CC2CC2)CC1 138692662 343989891 /nfs/dbraw/zinc/98/98/91/343989891.db2.gz PUANEICOHVJVIS-UHFFFAOYSA-N 1 0 196.338 1.814 20 0 ADADRO CC[N@@H+]1C[C@H](C)N(C)[C@H](C)C1 139414157 343994093 /nfs/dbraw/zinc/99/40/93/343994093.db2.gz OBFNHHAPTCCVJR-DTORHVGOSA-N 1 0 156.273 1.031 20 0 ADADRO C[C@@H]1CC[N@H+](Cc2ccccn2)C1 139368967 343994183 /nfs/dbraw/zinc/99/41/83/343994183.db2.gz PRQDQSHFTNLVNL-SNVBAGLBSA-N 1 0 176.263 1.923 20 0 ADADRO C[C@H]1CC[N@H+](Cc2ccccn2)C1 139369083 343994281 /nfs/dbraw/zinc/99/42/81/343994281.db2.gz 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/nfs/dbraw/zinc/68/03/72/344680372.db2.gz KBROWAFXIHPGEM-QMMMGPOBSA-N 1 0 181.283 1.066 20 0 ADADRO CC(C)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] 232530796 344680759 /nfs/dbraw/zinc/68/07/59/344680759.db2.gz BBOCMRYKXRUMIK-NXEZZACHSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)(C)[C@H]1CC[NH+]=C2NCCN21 232519069 344680999 /nfs/dbraw/zinc/68/09/99/344680999.db2.gz KBROWAFXIHPGEM-MRVPVSSYSA-N 1 0 181.283 1.066 20 0 ADADRO CC(C)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] 232530896 344681071 /nfs/dbraw/zinc/68/10/71/344681071.db2.gz BBOCMRYKXRUMIK-VHSXEESVSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] 232530803 344681083 /nfs/dbraw/zinc/68/10/83/344681083.db2.gz BBOCMRYKXRUMIK-ZJUUUORDSA-N 1 0 198.310 1.228 20 0 ADADRO CC(C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 232555144 344682455 /nfs/dbraw/zinc/68/24/55/344682455.db2.gz UCFCMNDCYGCGRM-NXEZZACHSA-N 1 0 198.310 1.289 20 0 ADADRO CC(C)(C)c1ccc(NN)[nH+]c1 232558371 344682734 /nfs/dbraw/zinc/68/27/34/344682734.db2.gz QWYQHRBKBUDIGG-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/68/78/40/344687840.db2.gz BJSCQSPBEKXPPB-QMMMGPOBSA-N 1 0 165.240 1.896 20 0 ADADRO CC(C)[C@@H]1CCn2cc[nH+]c2N1 232692155 344688053 /nfs/dbraw/zinc/68/80/53/344688053.db2.gz MEWFPDUHJGHWPR-QMMMGPOBSA-N 1 0 165.240 1.723 20 0 ADADRO CC(C)[NH2+]C/C=C/Cl 232681247 344688159 /nfs/dbraw/zinc/68/81/59/344688159.db2.gz MJYLPFMSVVLOAJ-ONEGZZNKSA-N 1 0 133.622 1.737 20 0 ADADRO CC(C)[C@@H]1CC[NH+]=C2N[C@@H](C)CN21 232689354 344688129 /nfs/dbraw/zinc/68/81/29/344688129.db2.gz FXWFVGQSXMUUFR-IUCAKERBSA-N 1 0 181.283 1.064 20 0 ADADRO CC(C)[C@@H]1CC[NH+]=C2N[C@H](C)CN21 232689393 344688174 /nfs/dbraw/zinc/68/81/74/344688174.db2.gz FXWFVGQSXMUUFR-BDAKNGLRSA-N 1 0 181.283 1.064 20 0 ADADRO CC(C)[C@H]1CCNc2[nH+]ccn21 232743596 344688984 /nfs/dbraw/zinc/68/89/84/344688984.db2.gz BJSCQSPBEKXPPB-MRVPVSSYSA-N 1 0 165.240 1.896 20 0 ADADRO CC(C)[C@H]1CC[NH+]=C2N[C@@H](C)CN21 232741631 344689033 /nfs/dbraw/zinc/68/90/33/344689033.db2.gz FXWFVGQSXMUUFR-DTWKUNHWSA-N 1 0 181.283 1.064 20 0 ADADRO CC(C)[C@H]1CCn2cc[nH+]c2N1 232751108 344689201 /nfs/dbraw/zinc/68/92/01/344689201.db2.gz MEWFPDUHJGHWPR-MRVPVSSYSA-N 1 0 165.240 1.723 20 0 ADADRO CC(=O)[C@]1(C(C)C)CC[NH2+]C1 232767256 344689511 /nfs/dbraw/zinc/68/95/11/344689511.db2.gz RCVQYCFNJCXNOH-SECBINFHSA-N 1 0 155.241 1.211 20 0 ADADRO CC(=O)[C@@]1(C(C)C)CC[NH2+]C1 232770679 344689621 /nfs/dbraw/zinc/68/96/21/344689621.db2.gz RCVQYCFNJCXNOH-VIFPVBQESA-N 1 0 155.241 1.211 20 0 ADADRO CC(C)c1cc2nccc(C[NH3+])n2n1 232779764 344689986 /nfs/dbraw/zinc/68/99/86/344689986.db2.gz SNMAPFSRQWVZAM-UHFFFAOYSA-N 1 0 190.250 1.311 20 0 ADADRO CC(C)c1cc2n(n1)[C@H](C[NH3+])CCN2 232776163 344689934 /nfs/dbraw/zinc/68/99/34/344689934.db2.gz IREWQECGPJPAKJ-QMMMGPOBSA-N 1 0 194.282 1.322 20 0 ADADRO CC(C)n1cc([C@H]2OCC[C@H]2[NH3+])cn1 232778207 344689953 /nfs/dbraw/zinc/68/99/53/344689953.db2.gz UEQYVPMKGQPTFU-NXEZZACHSA-N 1 0 195.266 1.253 20 0 ADADRO CC(C)n1cc([C@H]2OCC[C@@H]2[NH3+])cn1 232777933 344689993 /nfs/dbraw/zinc/68/99/93/344689993.db2.gz UEQYVPMKGQPTFU-VHSXEESVSA-N 1 0 195.266 1.253 20 0 ADADRO CC(C)c1cc2n(n1)[C@@H](C[NH3+])CCN2 232776366 344690038 /nfs/dbraw/zinc/69/00/38/344690038.db2.gz IREWQECGPJPAKJ-MRVPVSSYSA-N 1 0 194.282 1.322 20 0 ADADRO CC1CC(O)(C(C)(C)C[NH3+])C1 232787110 344690485 /nfs/dbraw/zinc/69/04/85/344690485.db2.gz GHEOGPBFAJRQQU-UHFFFAOYSA-N 1 0 157.257 1.132 20 0 ADADRO CC1(C)C[C@H]1C1([NH3+])CC1 232798266 344691502 /nfs/dbraw/zinc/69/15/02/344691502.db2.gz RQVZMNPOEHWSQZ-ZCFIWIBFSA-N 1 0 125.215 1.524 20 0 ADADRO CC1(C)C[C@H]1CNC(=O)C1([NH3+])CCC1 232809913 344692397 /nfs/dbraw/zinc/69/23/97/344692397.db2.gz ALDHQPVOLJNJAA-QMMMGPOBSA-N 1 0 196.294 1.030 20 0 ADADRO CC1(CNc2cc[nH+]c(N)n2)CC1 232811082 344692521 /nfs/dbraw/zinc/69/25/21/344692521.db2.gz YMVIFTJJBIGTAB-UHFFFAOYSA-N 1 0 178.239 1.271 20 0 ADADRO CC1(CN2CCC[C@@H]([NH3+])C2)CCC1 232824558 344693125 /nfs/dbraw/zinc/69/31/25/344693125.db2.gz ZWCKZVYBDPLEDU-SNVBAGLBSA-N 1 0 182.311 1.600 20 0 ADADRO CC1CCC([NH2+][C@H](C)CN)CC1 232822679 344693208 /nfs/dbraw/zinc/69/32/08/344693208.db2.gz FFAMEGXXIOWDFS-HWOCKDDLSA-N 1 0 170.300 1.502 20 0 ADADRO CC1(CN2CCC[C@@H]([NH3+])C2)CC1 232824503 344693352 /nfs/dbraw/zinc/69/33/52/344693352.db2.gz BPFOPYQWBZZQQF-SECBINFHSA-N 1 0 168.284 1.210 20 0 ADADRO CC1(CN2CCC[C@H]([NH3+])C2)CC1 232825010 344693374 /nfs/dbraw/zinc/69/33/74/344693374.db2.gz BPFOPYQWBZZQQF-VIFPVBQESA-N 1 0 168.284 1.210 20 0 ADADRO CC1([C@H]2CCn3cc[nH+]c3N2)CC1 232822755 344693422 /nfs/dbraw/zinc/69/34/22/344693422.db2.gz XZIIGKHUPXZVAL-MRVPVSSYSA-N 1 0 177.251 1.867 20 0 ADADRO CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C 232829772 344693575 /nfs/dbraw/zinc/69/35/75/344693575.db2.gz RYDLZMFEHADLCT-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO CCC(C)(C)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 232827329 344693613 /nfs/dbraw/zinc/69/36/13/344693613.db2.gz NXHXCVBHAVWFAB-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C 232829180 344693648 /nfs/dbraw/zinc/69/36/48/344693648.db2.gz RYDLZMFEHADLCT-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CSCCCCC[NH2+]C[C@H](C)O 235144056 344734501 /nfs/dbraw/zinc/73/45/01/344734501.db2.gz FSBUWISNQULEHD-VIFPVBQESA-N 1 0 191.340 1.490 20 0 ADADRO CC1CC([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 232830593 344693730 /nfs/dbraw/zinc/69/37/30/344693730.db2.gz RRSOOPOBZCKWHS-VGRIYTJTSA-N 1 0 183.295 1.536 20 0 ADADRO CC1CC([NH2+]C[C@@H]2CC[C@H](O)C2)C1 232830688 344694012 /nfs/dbraw/zinc/69/40/12/344694012.db2.gz RRSOOPOBZCKWHS-DJRKXVOMSA-N 1 0 183.295 1.536 20 0 ADADRO CC1CC([NH2+]C[C@H]2CC[C@H](O)C2)C1 232832384 344694041 /nfs/dbraw/zinc/69/40/41/344694041.db2.gz RRSOOPOBZCKWHS-YIYTYNFBSA-N 1 0 183.295 1.536 20 0 ADADRO CC1CC([NH2+]C[C@H]2CC[C@@H](O)C2)C1 232832258 344694206 /nfs/dbraw/zinc/69/42/06/344694206.db2.gz RRSOOPOBZCKWHS-QONHTCSSSA-N 1 0 183.295 1.536 20 0 ADADRO CC1CC(O)(C2(C[NH3+])CCC2)C1 232861633 344695394 /nfs/dbraw/zinc/69/53/94/344695394.db2.gz BBOASVAHJYZDHK-UHFFFAOYSA-N 1 0 169.268 1.276 20 0 ADADRO CC1CC(O)(C2(C[NH3+])CCCC2)C1 232861693 344695407 /nfs/dbraw/zinc/69/54/07/344695407.db2.gz AOJXUIRVGQOWKH-UHFFFAOYSA-N 1 0 183.295 1.667 20 0 ADADRO CC1(C)C[C@@H]1C1([NH3+])CC1 232863688 344695413 /nfs/dbraw/zinc/69/54/13/344695413.db2.gz RQVZMNPOEHWSQZ-LURJTMIESA-N 1 0 125.215 1.524 20 0 ADADRO CC1(C)C[C@@H]1CNC(=O)C1([NH3+])CCC1 232872954 344696195 /nfs/dbraw/zinc/69/61/95/344696195.db2.gz ALDHQPVOLJNJAA-MRVPVSSYSA-N 1 0 196.294 1.030 20 0 ADADRO CCC(C)(C)CNC(=[NH2+])NC 232885545 344696447 /nfs/dbraw/zinc/69/64/47/344696447.db2.gz MUQYOOWGCJRVRY-UHFFFAOYSA-N 1 0 157.261 1.166 20 0 ADADRO CCCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 232900178 344696457 /nfs/dbraw/zinc/69/64/57/344696457.db2.gz FOHSJLHKZLCVGO-RKDXNWHRSA-N 1 0 184.283 1.043 20 0 ADADRO CCCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 232900130 344696489 /nfs/dbraw/zinc/69/64/89/344696489.db2.gz FOHSJLHKZLCVGO-DTWKUNHWSA-N 1 0 184.283 1.043 20 0 ADADRO CCC(CC)C(=O)N1C[C@@H]([NH3+])[C@H](C)C1 232892074 344696524 /nfs/dbraw/zinc/69/65/24/344696524.db2.gz JUZYRYHALWWDBD-PSASIEDQSA-N 1 0 198.310 1.228 20 0 ADADRO CCCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 232901492 344696569 /nfs/dbraw/zinc/69/65/69/344696569.db2.gz FOHSJLHKZLCVGO-BDAKNGLRSA-N 1 0 184.283 1.043 20 0 ADADRO CCCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 232901442 344696646 /nfs/dbraw/zinc/69/66/46/344696646.db2.gz FOHSJLHKZLCVGO-IUCAKERBSA-N 1 0 184.283 1.043 20 0 ADADRO CC1([C@@H]2CCn3cc[nH+]c3N2)CC1 232911843 344696925 /nfs/dbraw/zinc/69/69/25/344696925.db2.gz XZIIGKHUPXZVAL-QMMMGPOBSA-N 1 0 177.251 1.867 20 0 ADADRO CCCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] 232944397 344697534 /nfs/dbraw/zinc/69/75/34/344697534.db2.gz WDAZRPVHSGXZDC-VHSXEESVSA-N 1 0 198.310 1.372 20 0 ADADRO CCCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] 232943876 344697577 /nfs/dbraw/zinc/69/75/77/344697577.db2.gz WDAZRPVHSGXZDC-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO CC1(C[NH2+][C@@H]2CCCNC2)CCC1 233020899 344698668 /nfs/dbraw/zinc/69/86/68/344698668.db2.gz QTGHPQGKGQIIGK-SNVBAGLBSA-N 1 0 182.311 1.518 20 0 ADADRO CC1(C[NH2+][C@@H]2CCC[C@H]2O)CC1 233023288 344698756 /nfs/dbraw/zinc/69/87/56/344698756.db2.gz OUAXKRPGYMLRQM-RKDXNWHRSA-N 1 0 169.268 1.290 20 0 ADADRO CC1(C[NH2+][C@H]2CCCNC2)CCC1 233028329 344699071 /nfs/dbraw/zinc/69/90/71/344699071.db2.gz QTGHPQGKGQIIGK-JTQLQIEISA-N 1 0 182.311 1.518 20 0 ADADRO CCC[NH2+]CC1(SC)CC1 233085307 344699389 /nfs/dbraw/zinc/69/93/89/344699389.db2.gz VHFQCGUHYYQKCK-UHFFFAOYSA-N 1 0 159.298 1.882 20 0 ADADRO CCC[NH2+][C@]1(C)CCO[C@H]1C 233193223 344699689 /nfs/dbraw/zinc/69/96/89/344699689.db2.gz FXZJFUPSYFDURX-DTWKUNHWSA-N 1 0 157.257 1.554 20 0 ADADRO CCC[NH2+][C@@]1(C)CCO[C@@H]1C 233150697 344699693 /nfs/dbraw/zinc/69/96/93/344699693.db2.gz FXZJFUPSYFDURX-BDAKNGLRSA-N 1 0 157.257 1.554 20 0 ADADRO CCC[NH2+][C@]1(C)CCO[C@@H]1C 233193222 344699706 /nfs/dbraw/zinc/69/97/06/344699706.db2.gz FXZJFUPSYFDURX-RKDXNWHRSA-N 1 0 157.257 1.554 20 0 ADADRO CCC[NH2+][C@@]1(C)CCO[C@H]1C 233150698 344699713 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/nfs/dbraw/zinc/93/29/55/344932955.db2.gz QODSHMRRRHURFN-GXSJLCMTSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1O 253312752 344933192 /nfs/dbraw/zinc/93/31/92/344933192.db2.gz WGKOKQSWGRCLSI-WCBMZHEXSA-N 1 0 169.268 1.099 20 0 ADADRO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1O 253312751 344933347 /nfs/dbraw/zinc/93/33/47/344933347.db2.gz WGKOKQSWGRCLSI-PSASIEDQSA-N 1 0 169.268 1.099 20 0 ADADRO C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1O 253303897 344933391 /nfs/dbraw/zinc/93/33/91/344933391.db2.gz SAWSZTVAHNMGKX-MWLCHTKSSA-N 1 0 183.295 1.489 20 0 ADADRO CC(C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 253303737 344933400 /nfs/dbraw/zinc/93/34/00/344933400.db2.gz RXHBZDATGQRTMA-RKDXNWHRSA-N 1 0 157.257 1.098 20 0 ADADRO C[C@@H]1C[N@@H+](C2CCCC2)CC[C@H]1O 253312472 344933455 /nfs/dbraw/zinc/93/34/55/344933455.db2.gz VYFPDVHTGJEJNJ-MWLCHTKSSA-N 1 0 183.295 1.632 20 0 ADADRO C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1O 253303896 344933478 /nfs/dbraw/zinc/93/34/78/344933478.db2.gz SAWSZTVAHNMGKX-GXSJLCMTSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@H]1C[N@@H+](C2CCCC2)CC[C@H]1O 253312471 344933493 /nfs/dbraw/zinc/93/34/93/344933493.db2.gz VYFPDVHTGJEJNJ-GXSJLCMTSA-N 1 0 183.295 1.632 20 0 ADADRO C[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1O 253350108 344933854 /nfs/dbraw/zinc/93/38/54/344933854.db2.gz ZYOADCSWEUTWNH-CMPLNLGQSA-N 1 0 197.322 1.879 20 0 ADADRO Cn1ccc(C[N@H+](C)C2CCCC2)n1 253393466 344933864 /nfs/dbraw/zinc/93/38/64/344933864.db2.gz WCJVKDIBTLCCRF-UHFFFAOYSA-N 1 0 193.294 1.795 20 0 ADADRO C[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1O 253350109 344933890 /nfs/dbraw/zinc/93/38/90/344933890.db2.gz ZYOADCSWEUTWNH-ZYHUDNBSSA-N 1 0 197.322 1.879 20 0 ADADRO CC(C)CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 253336508 344933979 /nfs/dbraw/zinc/93/39/79/344933979.db2.gz YLGIWAOKAQQYLM-GHMZBOCLSA-N 1 0 185.311 1.735 20 0 ADADRO C[C@@H]1CC[C@@H]([N@@H+]2CCNC[C@H]2C)C1 253336506 344934033 /nfs/dbraw/zinc/93/40/33/344934033.db2.gz YLFZKLYVOOSHDY-GMTAPVOTSA-N 1 0 182.311 1.469 20 0 ADADRO C[C@@H]1CC[C@H]([N@@H+]2CCNC[C@H]2C)C1 253336507 344934091 /nfs/dbraw/zinc/93/40/91/344934091.db2.gz YLFZKLYVOOSHDY-MXWKQRLJSA-N 1 0 182.311 1.469 20 0 ADADRO C[C@]12C[NH2+]C[C@H]1[C@@H]1CC[C@H]2C1 253430126 344934357 /nfs/dbraw/zinc/93/43/57/344934357.db2.gz VUPZBVMJJYOSPA-XFWSIPNHSA-N 1 0 151.253 1.642 20 0 ADADRO C[C@]12C[NH2+]C[C@@H]1[C@@H]1CC[C@H]2C1 253430117 344934362 /nfs/dbraw/zinc/93/43/62/344934362.db2.gz VUPZBVMJJYOSPA-UTINFBMNSA-N 1 0 151.253 1.642 20 0 ADADRO CN1CCC([NH2+]C2CC(C)(C)C2)CC1 257848775 344943352 /nfs/dbraw/zinc/94/33/52/344943352.db2.gz DJCJWGDZDIRGBX-UHFFFAOYSA-N 1 0 196.338 1.859 20 0 ADADRO [NH3+]C1([C@@H]2CCCCO2)CCC1 258036267 344943699 /nfs/dbraw/zinc/94/36/99/344943699.db2.gz OEPYQUPBIZCGEN-QMMMGPOBSA-N 1 0 155.241 1.437 20 0 ADADRO c1nc(C[NH2+]C2CCCC2)co1 258063554 344943781 /nfs/dbraw/zinc/94/37/81/344943781.db2.gz GMNQSSBXFZLPGQ-UHFFFAOYSA-N 1 0 166.224 1.707 20 0 ADADRO [NH3+]C1([C@H]2CCCCO2)CCC1 258036260 344943881 /nfs/dbraw/zinc/94/38/81/344943881.db2.gz OEPYQUPBIZCGEN-MRVPVSSYSA-N 1 0 155.241 1.437 20 0 ADADRO CCC[C@]1(N(C)C)CC[NH2+]C1 258509009 344944189 /nfs/dbraw/zinc/94/41/89/344944189.db2.gz CULHSLVUOZHJJF-VIFPVBQESA-N 1 0 156.273 1.080 20 0 ADADRO CCC[C@@]1(N(C)C)CC[NH2+]C1 258509007 344944361 /nfs/dbraw/zinc/94/43/61/344944361.db2.gz CULHSLVUOZHJJF-SECBINFHSA-N 1 0 156.273 1.080 20 0 ADADRO CN(C)c1nc(Cl)c(C[NH3+])s1 258422103 344944383 /nfs/dbraw/zinc/94/43/83/344944383.db2.gz CTXIEZZVVOESOR-UHFFFAOYSA-N 1 0 191.687 1.321 20 0 ADADRO CCCC[N@@H+]1CC[C@H](O)C(C)(C)C1 258633836 344944601 /nfs/dbraw/zinc/94/46/01/344944601.db2.gz CLNZCBDXFQLCNS-JTQLQIEISA-N 1 0 185.311 1.879 20 0 ADADRO CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 258598587 344944888 /nfs/dbraw/zinc/94/48/88/344944888.db2.gz ACEYJCVTCCBGEA-MRVPVSSYSA-N 1 0 157.257 1.099 20 0 ADADRO CC[N@@H+]1CC[C@H](O)C(C)(C)C1 258598588 344944928 /nfs/dbraw/zinc/94/49/28/344944928.db2.gz ACEYJCVTCCBGEA-QMMMGPOBSA-N 1 0 157.257 1.099 20 0 ADADRO CCCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 258633838 344945090 /nfs/dbraw/zinc/94/50/90/344945090.db2.gz CLNZCBDXFQLCNS-SNVBAGLBSA-N 1 0 185.311 1.879 20 0 ADADRO CN(C(=O)C[C@H]1CCC[NH2+]1)C(C)(C)C 258674477 344945171 /nfs/dbraw/zinc/94/51/71/344945171.db2.gz INUCGNXKSXXEDX-SECBINFHSA-N 1 0 198.310 1.385 20 0 ADADRO COC(=O)C1(C[NH2+]CC(C)C)CC1 258653962 344945207 /nfs/dbraw/zinc/94/52/07/344945207.db2.gz MXJSXWIDOWYULU-UHFFFAOYSA-N 1 0 185.267 1.185 20 0 ADADRO CCN(CC)C(=O)CC(C)(C)C[NH3+] 258694047 344945429 /nfs/dbraw/zinc/94/54/29/344945429.db2.gz JKTAFUJKZFOQHU-UHFFFAOYSA-N 1 0 186.299 1.230 20 0 ADADRO COC(=O)C1CCC([NH2+]C2CC2)CC1 258719104 344945320 /nfs/dbraw/zinc/94/53/20/344945320.db2.gz LRQIIINGNYXQSV-UHFFFAOYSA-N 1 0 197.278 1.470 20 0 ADADRO CN(C(=O)C[C@@H]1CCC[NH2+]1)C(C)(C)C 258674481 344945311 /nfs/dbraw/zinc/94/53/11/344945311.db2.gz INUCGNXKSXXEDX-VIFPVBQESA-N 1 0 198.310 1.385 20 0 ADADRO CCC[NH2+]C1CCC(C(=O)OC)CC1 258663423 344945426 /nfs/dbraw/zinc/94/54/26/344945426.db2.gz GZPBMBXYRRIJPJ-UHFFFAOYSA-N 1 0 199.294 1.718 20 0 ADADRO CCC[N@H+](C)C(C)(C)C(=O)OC 258805877 344945819 /nfs/dbraw/zinc/94/58/19/344945819.db2.gz NVLGUWJKWDTRDE-UHFFFAOYSA-N 1 0 173.256 1.280 20 0 ADADRO COC(=O)CCC[N@H+](C)C(C)(C)C 258899641 344946131 /nfs/dbraw/zinc/94/61/31/344946131.db2.gz KSIQEPPQSKKWRS-UHFFFAOYSA-N 1 0 187.283 1.670 20 0 ADADRO CC(C)C[N@@H+]1CC[C@H](O)C(C)(C)C1 258904828 344946143 /nfs/dbraw/zinc/94/61/43/344946143.db2.gz VGKCYXCMAVOOED-JTQLQIEISA-N 1 0 185.311 1.735 20 0 ADADRO CC(C)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 258904831 344946383 /nfs/dbraw/zinc/94/63/83/344946383.db2.gz VGKCYXCMAVOOED-SNVBAGLBSA-N 1 0 185.311 1.735 20 0 ADADRO COC(=O)C(C)(C)[N@H+](C)CC1CCC1 258911297 344946414 /nfs/dbraw/zinc/94/64/14/344946414.db2.gz YXMKQRMJYIYPKG-UHFFFAOYSA-N 1 0 199.294 1.670 20 0 ADADRO COC(=O)C(C)(C)[N@H+](C)CC(C)C 258886151 344946450 /nfs/dbraw/zinc/94/64/50/344946450.db2.gz WECLRINNKVAVSR-UHFFFAOYSA-N 1 0 187.283 1.526 20 0 ADADRO C[N@H+](CCC1CCCCC1)CC(N)=O 259024684 344946989 /nfs/dbraw/zinc/94/69/89/344946989.db2.gz HMHFIJWDOJLUBW-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO CCCC[N@H+](C)C(C)(C)C(=O)OC 258975155 344947140 /nfs/dbraw/zinc/94/71/40/344947140.db2.gz OAWLFGYMQPKZDZ-UHFFFAOYSA-N 1 0 187.283 1.670 20 0 ADADRO CC[C@H](C)[NH+]1CCC(CCO)CC1 259102324 344947480 /nfs/dbraw/zinc/94/74/80/344947480.db2.gz FRMFGESVOMIICD-JTQLQIEISA-N 1 0 185.311 1.879 20 0 ADADRO COC(=O)C1(C[NH2+]CC(C)(C)C)CC1 259127897 344947628 /nfs/dbraw/zinc/94/76/28/344947628.db2.gz YVROWKINOVDXJF-UHFFFAOYSA-N 1 0 199.294 1.575 20 0 ADADRO CC[C@@H](C)[NH+]1CCC(CCO)CC1 259102326 344947689 /nfs/dbraw/zinc/94/76/89/344947689.db2.gz FRMFGESVOMIICD-SNVBAGLBSA-N 1 0 185.311 1.879 20 0 ADADRO CC(C)CC[N@@H+]1CC(=O)NCC1(C)C 259304863 344947842 /nfs/dbraw/zinc/94/78/42/344947842.db2.gz PXCVFLUBZWFLSW-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO CCC[N@@H+]1CC[C@@H](CO)[C@@H]1C 259252447 344947854 /nfs/dbraw/zinc/94/78/54/344947854.db2.gz FGDJEKZCZDMTMV-IUCAKERBSA-N 1 0 157.257 1.099 20 0 ADADRO COC(=O)C1CC[NH+](C2CC2)CC1 259185503 344947904 /nfs/dbraw/zinc/94/79/04/344947904.db2.gz HSDCAWFGKOHUHQ-UHFFFAOYSA-N 1 0 183.251 1.034 20 0 ADADRO CCC[N@@H+]1CC[C@H](CO)[C@H]1C 259252449 344947993 /nfs/dbraw/zinc/94/79/93/344947993.db2.gz FGDJEKZCZDMTMV-RKDXNWHRSA-N 1 0 157.257 1.099 20 0 ADADRO C[C@@H]([NH3+])CN1CCNc2ccccc21 259231281 344948049 /nfs/dbraw/zinc/94/80/49/344948049.db2.gz LAMJCQSCHVTXDC-SECBINFHSA-N 1 0 191.278 1.266 20 0 ADADRO CCC[N@@H+]1CC[C@H](CO)[C@@H]1C 259252443 344948055 /nfs/dbraw/zinc/94/80/55/344948055.db2.gz FGDJEKZCZDMTMV-DTWKUNHWSA-N 1 0 157.257 1.099 20 0 ADADRO CC(C)CC[N@@H+]1CCNC(=O)C1(C)C 259272305 344948102 /nfs/dbraw/zinc/94/81/02/344948102.db2.gz NUNIIMGXSXAFNM-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H]([NH3+])CN1CCNc2ccccc21 259231289 344948152 /nfs/dbraw/zinc/94/81/52/344948152.db2.gz LAMJCQSCHVTXDC-VIFPVBQESA-N 1 0 191.278 1.266 20 0 ADADRO [NH3+]CCCN1CCNc2ccccc21 259351148 344948461 /nfs/dbraw/zinc/94/84/61/344948461.db2.gz TVWLDNMTWKCBSN-UHFFFAOYSA-N 1 0 191.278 1.267 20 0 ADADRO CC(C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 259363227 344948587 /nfs/dbraw/zinc/94/85/87/344948587.db2.gz UPTZMWHSJDHGGT-SECBINFHSA-N 1 0 171.284 1.488 20 0 ADADRO CCOC(=O)CC[N@H+](C(C)C)C1CC1 259412275 344948606 /nfs/dbraw/zinc/94/86/06/344948606.db2.gz MHXDFFIRWXAIBJ-UHFFFAOYSA-N 1 0 199.294 1.812 20 0 ADADRO CC[C@@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 259351143 344948620 /nfs/dbraw/zinc/94/86/20/344948620.db2.gz TVVNAKRHVXMSEW-NXEZZACHSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 259351146 344948625 /nfs/dbraw/zinc/94/86/25/344948625.db2.gz TVVNAKRHVXMSEW-ZJUUUORDSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 259351145 344948630 /nfs/dbraw/zinc/94/86/30/344948630.db2.gz TVVNAKRHVXMSEW-VHSXEESVSA-N 1 0 185.311 1.878 20 0 ADADRO CC[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 259351144 344948789 /nfs/dbraw/zinc/94/87/89/344948789.db2.gz TVVNAKRHVXMSEW-UWVGGRQHSA-N 1 0 185.311 1.878 20 0 ADADRO CC(C)[N@@H+]1CC[C@H](O)C(C)(C)C1 259363231 344948794 /nfs/dbraw/zinc/94/87/94/344948794.db2.gz UPTZMWHSJDHGGT-VIFPVBQESA-N 1 0 171.284 1.488 20 0 ADADRO COC(=O)CC[N@H+](C(C)C)C1CC1 259446337 344949218 /nfs/dbraw/zinc/94/92/18/344949218.db2.gz PLYWHIRBEAVEAK-UHFFFAOYSA-N 1 0 185.267 1.422 20 0 ADADRO CC(C)C[N@@H+]1CC[C@H](CO)[C@H]1C 259586468 344949583 /nfs/dbraw/zinc/94/95/83/344949583.db2.gz ZQTVJJBCMWNXER-NXEZZACHSA-N 1 0 171.284 1.345 20 0 ADADRO CC(C)C[N@@H+]1CC[C@@H](CO)[C@H]1C 259586476 344949598 /nfs/dbraw/zinc/94/95/98/344949598.db2.gz ZQTVJJBCMWNXER-ZJUUUORDSA-N 1 0 171.284 1.345 20 0 ADADRO CC(C)C[N@@H+]1CC[C@H](CO)[C@@H]1C 259586474 344949610 /nfs/dbraw/zinc/94/96/10/344949610.db2.gz ZQTVJJBCMWNXER-VHSXEESVSA-N 1 0 171.284 1.345 20 0 ADADRO CC(C)([NH3+])CN1CCC(F)(F)C1 259600634 344949649 /nfs/dbraw/zinc/94/96/49/344949649.db2.gz VGLHVHBVJFFTEV-UHFFFAOYSA-N 1 0 178.226 1.065 20 0 ADADRO CC(C)C[N@@H+]1CC[C@@H](CO)[C@@H]1C 259586471 344949751 /nfs/dbraw/zinc/94/97/51/344949751.db2.gz ZQTVJJBCMWNXER-UWVGGRQHSA-N 1 0 171.284 1.345 20 0 ADADRO CC1(C)CC([NH2+][C@H]2CCCOC2)C1 259614337 344949919 /nfs/dbraw/zinc/94/99/19/344949919.db2.gz DWQNKXNSUPYJGP-VIFPVBQESA-N 1 0 183.295 1.944 20 0 ADADRO CC1(C)CC([NH2+][C@@H]2CCCOC2)C1 259614328 344950057 /nfs/dbraw/zinc/95/00/57/344950057.db2.gz DWQNKXNSUPYJGP-SECBINFHSA-N 1 0 183.295 1.944 20 0 ADADRO CCOC(=O)[C@@H]1CCCc2nccn21 259851364 344951002 /nfs/dbraw/zinc/95/10/02/344951002.db2.gz RCCVJLLASKHLCH-QMMMGPOBSA-N 1 0 194.234 1.324 20 0 ADADRO COC(=O)[C@H]1CC[N@H+](C(C)C)[C@@H]1C 259823663 344951056 /nfs/dbraw/zinc/95/10/56/344951056.db2.gz NFIGTZXKCCMODZ-BDAKNGLRSA-N 1 0 185.267 1.278 20 0 ADADRO COC(=O)[C@@H]1CC[N@H+](C(C)C)[C@@H]1C 259823666 344951112 /nfs/dbraw/zinc/95/11/12/344951112.db2.gz NFIGTZXKCCMODZ-RKDXNWHRSA-N 1 0 185.267 1.278 20 0 ADADRO CCOC(=O)[C@H]1CCCc2nccn21 259851358 344951138 /nfs/dbraw/zinc/95/11/38/344951138.db2.gz RCCVJLLASKHLCH-MRVPVSSYSA-N 1 0 194.234 1.324 20 0 ADADRO COC(=O)C1(C[NH2+]C(C)C)CCCC1 260026227 344951952 /nfs/dbraw/zinc/95/19/52/344951952.db2.gz KKKOSZHAAWAYML-UHFFFAOYSA-N 1 0 199.294 1.718 20 0 ADADRO CCC[N@@H+]1CCCCC[C@@H]1C(=O)OC 260105056 344952266 /nfs/dbraw/zinc/95/22/66/344952266.db2.gz QEVZIMBPYVDTTD-SNVBAGLBSA-N 1 0 199.294 1.814 20 0 ADADRO CC[N@@H+]1CCCCC[C@H]1C(=O)OC 260294275 344952965 /nfs/dbraw/zinc/95/29/65/344952965.db2.gz YYBKLIFGIOWEPT-VIFPVBQESA-N 1 0 185.267 1.424 20 0 ADADRO CC[N@@H+]1CCCCC[C@@H]1C(=O)OC 260294273 344952937 /nfs/dbraw/zinc/95/29/37/344952937.db2.gz YYBKLIFGIOWEPT-SECBINFHSA-N 1 0 185.267 1.424 20 0 ADADRO CCOC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 260937450 344953905 /nfs/dbraw/zinc/95/39/05/344953905.db2.gz YJLFOWVOUHQYLO-NXEZZACHSA-N 1 0 197.278 1.424 20 0 ADADRO CCOC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 260937456 344953987 /nfs/dbraw/zinc/95/39/87/344953987.db2.gz YJLFOWVOUHQYLO-ZJUUUORDSA-N 1 0 197.278 1.424 20 0 ADADRO CCOC(=O)C1([NH3+])CC(C)(C)C1 260958013 344954036 /nfs/dbraw/zinc/95/40/36/344954036.db2.gz IGSVMJTVUDBNBZ-UHFFFAOYSA-N 1 0 171.240 1.067 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306530372 345401402 /nfs/dbraw/zinc/40/14/02/345401402.db2.gz DCWNQSJYPKYCNH-SNVBAGLBSA-N 1 0 193.294 1.996 20 0 ADADRO C1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@H]2CCOC2)C1 306530009 345401527 /nfs/dbraw/zinc/40/15/27/345401527.db2.gz JDKPNIXCWGOZAI-VPOLOUISSA-N 1 0 181.279 1.554 20 0 ADADRO Cc1nonc1C[NH2+][C@H]1CC[C@@H]1C 306530632 345402032 /nfs/dbraw/zinc/40/20/32/345402032.db2.gz JXTCUPXEKJAFTL-XPUUQOCRSA-N 1 0 181.239 1.266 20 0 ADADRO Cc1nonc1C[NH2+][C@@H]1CC[C@H]1C 306530629 345402100 /nfs/dbraw/zinc/40/21/00/345402100.db2.gz JXTCUPXEKJAFTL-HTRCEHHLSA-N 1 0 181.239 1.266 20 0 ADADRO Cc1nonc1C[NH2+][C@H]1CC[C@H]1C 306530631 345402140 /nfs/dbraw/zinc/40/21/40/345402140.db2.gz JXTCUPXEKJAFTL-SVRRBLITSA-N 1 0 181.239 1.266 20 0 ADADRO Cc1nonc1C[NH2+][C@@H]1CC[C@@H]1C 306530630 345402179 /nfs/dbraw/zinc/40/21/79/345402179.db2.gz JXTCUPXEKJAFTL-POYBYMJQSA-N 1 0 181.239 1.266 20 0 ADADRO CC1(C(=O)N[C@H]2CCC[NH2+]C2)CCC1 306531589 345402980 /nfs/dbraw/zinc/40/29/80/345402980.db2.gz 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345766786 /nfs/dbraw/zinc/76/67/86/345766786.db2.gz QSDDFFWGLOENOK-VIFPVBQESA-N 1 0 196.294 1.139 20 0 ADADRO [NH2+]=C(NCc1ccccc1)N1CCC1 307031392 345766859 /nfs/dbraw/zinc/76/68/59/345766859.db2.gz QGCMZCUGCPNVON-UHFFFAOYSA-N 1 0 189.262 1.417 20 0 ADADRO CC1(C)CC(O)(C(C)(C)C[NH3+])C1 307031812 345766870 /nfs/dbraw/zinc/76/68/70/345766870.db2.gz FQDHKRLTAQSHPT-UHFFFAOYSA-N 1 0 171.284 1.522 20 0 ADADRO C[C@@H]1C[C@H](N)C[N@@H+]1CC1CCC1 307037203 345769924 /nfs/dbraw/zinc/76/99/24/345769924.db2.gz OVXNAVDMLYZBHP-SCZZXKLOSA-N 1 0 168.284 1.208 20 0 ADADRO C[C@@H]1C[C@@H](N)C[N@@H+]1CC1CCC1 307037202 345770050 /nfs/dbraw/zinc/77/00/50/345770050.db2.gz OVXNAVDMLYZBHP-PSASIEDQSA-N 1 0 168.284 1.208 20 0 ADADRO C[C@H]1C[C@H](N)C[N@@H+]1CC1CCC1 307037205 345770105 /nfs/dbraw/zinc/77/01/05/345770105.db2.gz OVXNAVDMLYZBHP-WPRPVWTQSA-N 1 0 168.284 1.208 20 0 ADADRO C[C@H]1C[N@H+](CCC2CC2)CCO1 307039748 345771641 /nfs/dbraw/zinc/77/16/41/345771641.db2.gz QGXHRBJZPBDMIO-VIFPVBQESA-N 1 0 169.268 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171.284 1.522 20 0 ADADRO C[C@H](O)[C@@]1(C[NH3+])CCCC[C@H]1C 307086966 345802553 /nfs/dbraw/zinc/80/25/53/345802553.db2.gz ZKGRFZYTHLJSDM-KXUCPTDWSA-N 1 0 171.284 1.522 20 0 ADADRO CC[C@H](C)C[N@@H+]1C[C@H](N)C[C@H]1C 307087755 345802825 /nfs/dbraw/zinc/80/28/25/345802825.db2.gz SBZMRTXJTKBYCI-IVZWLZJFSA-N 1 0 170.300 1.454 20 0 ADADRO CC[C@H](C)C[N@@H+]1C[C@H](N)C[C@@H]1C 307087756 345802911 /nfs/dbraw/zinc/80/29/11/345802911.db2.gz SBZMRTXJTKBYCI-LPEHRKFASA-N 1 0 170.300 1.454 20 0 ADADRO FCC[NH2+][C@H]1CCOC2(CCC2)C1 307087772 345803027 /nfs/dbraw/zinc/80/30/27/345803027.db2.gz LOCGZTXBDHPQLD-VIFPVBQESA-N 1 0 187.258 1.647 20 0 ADADRO CC[C@H](C)C[N@@H+]1C[C@@H](N)C[C@@H]1C 307087754 345803093 /nfs/dbraw/zinc/80/30/93/345803093.db2.gz SBZMRTXJTKBYCI-GUBZILKMSA-N 1 0 170.300 1.454 20 0 ADADRO CC[C@H](C)C[N@@H+]1C[C@@H](N)C[C@H]1C 307087753 345803128 /nfs/dbraw/zinc/80/31/28/345803128.db2.gz SBZMRTXJTKBYCI-AEJSXWLSSA-N 1 0 170.300 1.454 20 0 ADADRO Cc1ccc(C[NH2+]C(C)(C)C)nn1 307088019 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308163803 346264557 /nfs/dbraw/zinc/26/45/57/346264557.db2.gz WOESRMHUCWNUNW-ZETCQYMHSA-N 1 0 183.255 1.685 20 0 ADADRO CSC[C@@H](O)C[N@@H+]1CC[C@@H](C)C1 308164300 346264657 /nfs/dbraw/zinc/26/46/57/346264657.db2.gz TZTIKJPVDWXFJE-BDAKNGLRSA-N 1 0 189.324 1.052 20 0 ADADRO CSC[C@@H](O)C[N@@H+]1CC[C@H](C)C1 308164307 346264708 /nfs/dbraw/zinc/26/47/08/346264708.db2.gz TZTIKJPVDWXFJE-IUCAKERBSA-N 1 0 189.324 1.052 20 0 ADADRO CSC[C@H](O)C[N@@H+]1CC[C@H](C)C1 308164303 346264715 /nfs/dbraw/zinc/26/47/15/346264715.db2.gz TZTIKJPVDWXFJE-DTWKUNHWSA-N 1 0 189.324 1.052 20 0 ADADRO CSC[C@H](O)C[N@@H+]1CC[C@@H](C)C1 308164310 346264735 /nfs/dbraw/zinc/26/47/35/346264735.db2.gz TZTIKJPVDWXFJE-RKDXNWHRSA-N 1 0 189.324 1.052 20 0 ADADRO CC(C)OC(=O)[C@@H](C(C)C)[NH+](C)C 308167072 346265240 /nfs/dbraw/zinc/26/52/40/346265240.db2.gz YCSJSDFLJMSGJC-SECBINFHSA-N 1 0 187.283 1.524 20 0 ADADRO CCSCC[C@@H](C)[N@H+](C)CCO 308169907 346265354 /nfs/dbraw/zinc/26/53/54/346265354.db2.gz 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COCCC[N@H+](C)C[C@@H]1CCCO1 308500339 346308950 /nfs/dbraw/zinc/30/89/50/346308950.db2.gz WKCWKDOJXWNJOG-JTQLQIEISA-N 1 0 187.283 1.134 20 0 ADADRO CC[N@@H+](C1CCC1)[C@H](C)C(=O)OC 308501998 346308988 /nfs/dbraw/zinc/30/89/88/346308988.db2.gz XIJFAKNCKRBIKW-MRVPVSSYSA-N 1 0 185.267 1.422 20 0 ADADRO CC(C)(C)[NH2+]CCNC(=O)CC1CC1 308504180 346309237 /nfs/dbraw/zinc/30/92/37/346309237.db2.gz HZRMUVPZHGGZSO-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO C[N@H+](CCc1cccnc1)C1CC1 308505256 346309242 /nfs/dbraw/zinc/30/92/42/346309242.db2.gz YZMBEKAOWQWQOB-UHFFFAOYSA-N 1 0 176.263 1.718 20 0 ADADRO CC[NH2+][C@H](C)C(=O)N1CCC(C)CC1 308507011 346309605 /nfs/dbraw/zinc/30/96/05/346309605.db2.gz JCVUAWUUQGAQIY-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CC[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 308507007 346309666 /nfs/dbraw/zinc/30/96/66/346309666.db2.gz JCVUAWUUQGAQIY-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CCC(CC)[NH2+]CC1(C(=O)OC)CC1 308521005 346310374 /nfs/dbraw/zinc/31/03/74/346310374.db2.gz OUMXPOVTXOQXKI-UHFFFAOYSA-N 1 0 199.294 1.718 20 0 ADADRO C[C@H]([NH2+]Cc1cccn1C)C(C)(C)O 308518826 346310378 /nfs/dbraw/zinc/31/03/78/346310378.db2.gz NXJHGKMDKKRECN-VIFPVBQESA-N 1 0 196.294 1.274 20 0 ADADRO CCC[C@](C)(CO)[NH2+]Cc1ncc[nH]1 308525135 346310498 /nfs/dbraw/zinc/31/04/98/346310498.db2.gz QLRVMJMPIGRUQG-SNVBAGLBSA-N 1 0 197.282 1.050 20 0 ADADRO OCCC[NH2+]C1(c2ccccc2)CC1 308520898 346310508 /nfs/dbraw/zinc/31/05/08/346310508.db2.gz SCRDCZBGFUHCGJ-UHFFFAOYSA-N 1 0 191.274 1.648 20 0 ADADRO CC[NH+](CC)Cc1cccc(OC)n1 308519098 346310536 /nfs/dbraw/zinc/31/05/36/346310536.db2.gz WSZFKIISDJNIHJ-UHFFFAOYSA-N 1 0 194.278 1.932 20 0 ADADRO CCOC(=O)[C@@H](C)[N@H+](C)CCC1CC1 308517054 346310579 /nfs/dbraw/zinc/31/05/79/346310579.db2.gz NCINNLKEDNZWJY-SECBINFHSA-N 1 0 199.294 1.670 20 0 ADADRO CCC[C@@](C)(CO)[NH2+]Cc1ncc[nH]1 308525132 346310636 /nfs/dbraw/zinc/31/06/36/346310636.db2.gz QLRVMJMPIGRUQG-JTQLQIEISA-N 1 0 197.282 1.050 20 0 ADADRO CC(C)C(C)(C)[NH2+]Cc1cnn(C)c1 308518816 346310717 /nfs/dbraw/zinc/31/07/17/346310717.db2.gz NXAKPXHRSFUMPP-UHFFFAOYSA-N 1 0 195.310 1.944 20 0 ADADRO CCOC(=O)[C@H](C)[N@H+](C)CCC1CC1 308517055 346310724 /nfs/dbraw/zinc/31/07/24/346310724.db2.gz NCINNLKEDNZWJY-VIFPVBQESA-N 1 0 199.294 1.670 20 0 ADADRO CCCC1(C(=O)NCC[C@H](C)[NH3+])CC1 308538447 346311308 /nfs/dbraw/zinc/31/13/08/346311308.db2.gz MZRBUFNIRDXCCU-VIFPVBQESA-N 1 0 198.310 1.420 20 0 ADADRO CC(C)[C@@H](C)NC(=O)C[NH+]1CCCC1 308532119 346311340 /nfs/dbraw/zinc/31/13/40/346311340.db2.gz LCCNQKXIWNHWQW-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCCCNC(=O)[C@@H](C)[NH+]1CCCC1 308540596 346311346 /nfs/dbraw/zinc/31/13/46/346311346.db2.gz NUVZMCXFJZWSPE-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO CC(C)[C@H](C)NC(=O)C[NH+]1CCCC1 308532118 346311388 /nfs/dbraw/zinc/31/13/88/346311388.db2.gz LCCNQKXIWNHWQW-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CO[C@@H](C)CC[NH2+]Cc1cccnc1 308542580 346311397 /nfs/dbraw/zinc/31/13/97/346311397.db2.gz VALGZUPHNZVFFU-JTQLQIEISA-N 1 0 194.278 1.596 20 0 ADADRO CO[C@H](C)CC[NH2+]Cc1cccnc1 308542581 346311408 /nfs/dbraw/zinc/31/14/08/346311408.db2.gz VALGZUPHNZVFFU-SNVBAGLBSA-N 1 0 194.278 1.596 20 0 ADADRO CCCCNC(=O)[C@H](C)[NH+]1CCCC1 308540593 346311487 /nfs/dbraw/zinc/31/14/87/346311487.db2.gz NUVZMCXFJZWSPE-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)C1 308562596 346312343 /nfs/dbraw/zinc/31/23/43/346312343.db2.gz GCSNNONBPMYKQC-USWWRNFRSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 308529734 346311579 /nfs/dbraw/zinc/31/15/79/346311579.db2.gz RKQFUTHJXBMPNB-LPEHRKFASA-N 1 0 199.294 1.716 20 0 ADADRO CC(C)C(C)(C)[NH2+]Cc1cn(C)nn1 308544858 346311615 /nfs/dbraw/zinc/31/16/15/346311615.db2.gz VOPNGWIHLJVFFM-UHFFFAOYSA-N 1 0 196.298 1.339 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)C2CC2)C1 308562602 346311960 /nfs/dbraw/zinc/31/19/60/346311960.db2.gz GCSNNONBPMYKQC-YUSALJHKSA-N 1 0 197.322 1.926 20 0 ADADRO CCOC(=O)C1(C[NH2+]CC(C)C)CC1 308551470 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191.278 1.870 20 0 ADADRO C[C@H]1C[C@@H]1C[NH+]1CC(C(C)(C)O)C1 334512633 346350591 /nfs/dbraw/zinc/35/05/91/346350591.db2.gz DWHWGQMPKMGTKK-DTWKUNHWSA-N 1 0 183.295 1.345 20 0 ADADRO C[C@H]1C[C@H]1C[NH+]1CC(C(C)(C)O)C1 334512634 346350635 /nfs/dbraw/zinc/35/06/35/346350635.db2.gz DWHWGQMPKMGTKK-IUCAKERBSA-N 1 0 183.295 1.345 20 0 ADADRO CCC1C[NH+](Cc2ccn(C)c2)C1 334522005 346351159 /nfs/dbraw/zinc/35/11/59/346351159.db2.gz JDUBXZAQVVVLHZ-UHFFFAOYSA-N 1 0 178.279 1.867 20 0 ADADRO CCC1C[NH+](C[C@@H]2CCCOC2)C1 334522634 346351171 /nfs/dbraw/zinc/35/11/71/346351171.db2.gz PCMJQUMOWWRTKT-NSHDSACASA-N 1 0 183.295 1.755 20 0 ADADRO C[C@H]1CCCN(C(=O)C[NH+](C)C)CC1 334515851 346351237 /nfs/dbraw/zinc/35/12/37/346351237.db2.gz LULFLULGPKHLNV-JTQLQIEISA-N 1 0 198.310 1.197 20 0 ADADRO CCC1C[NH+](C[C@H]2C[C@H]2C)C1 334522929 346351263 /nfs/dbraw/zinc/35/12/63/346351263.db2.gz SSPFRJLZGXZQGK-PSASIEDQSA-N 1 0 153.269 1.984 20 0 ADADRO CCC1C[NH+](C[C@@H]2C[C@H]2C)C1 334522930 346351297 /nfs/dbraw/zinc/35/12/97/346351297.db2.gz SSPFRJLZGXZQGK-SCZZXKLOSA-N 1 0 153.269 1.984 20 0 ADADRO C[N@H+](Cc1cnccn1)[C@@H]1CC1(C)C 334516450 346351335 /nfs/dbraw/zinc/35/13/35/346351335.db2.gz KTVFCPNEBHBOGN-SNVBAGLBSA-N 1 0 191.278 1.707 20 0 ADADRO CCC1C[NH+](Cc2cnn(C)c2)C1 334522170 346351385 /nfs/dbraw/zinc/35/13/85/346351385.db2.gz KRWVCGGNCFNVMD-UHFFFAOYSA-N 1 0 179.267 1.262 20 0 ADADRO C[C@H](O)C[N@@H+]1CC[C@H]1c1ccccc1 334518036 346351393 /nfs/dbraw/zinc/35/13/93/346351393.db2.gz FRLZPYNTVFNGBC-JQWIXIFHSA-N 1 0 191.274 1.814 20 0 ADADRO CCC1C[NH+](Cc2ccccn2)C1 334522592 346351432 /nfs/dbraw/zinc/35/14/32/346351432.db2.gz OHVPFHZSIGFHCI-UHFFFAOYSA-N 1 0 176.263 1.923 20 0 ADADRO CC[C@@H]1CC[N@@H+]1Cc1cnccn1 334517542 346351440 /nfs/dbraw/zinc/35/14/40/346351440.db2.gz IHXUBVXOLSOXIC-SNVBAGLBSA-N 1 0 177.251 1.461 20 0 ADADRO CC(C)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O 334521674 346351468 /nfs/dbraw/zinc/35/14/68/346351468.db2.gz VCZVSDDXUZQQMY-UWVGGRQHSA-N 1 0 196.294 1.138 20 0 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/nfs/dbraw/zinc/35/16/71/346351671.db2.gz UMZQAIDOKZCJHL-UHFFFAOYSA-N 1 0 179.267 1.262 20 0 ADADRO CC[C@H]1CC[N@@H+]1Cc1cnccn1 334517541 346351680 /nfs/dbraw/zinc/35/16/80/346351680.db2.gz IHXUBVXOLSOXIC-JTQLQIEISA-N 1 0 177.251 1.461 20 0 ADADRO CCC1C[NH+](Cc2cccnc2)C1 334522791 346351684 /nfs/dbraw/zinc/35/16/84/346351684.db2.gz QZSUVWQUEOKDEE-UHFFFAOYSA-N 1 0 176.263 1.923 20 0 ADADRO CCC1C[NH+](Cc2cn(C)nc2C)C1 334522793 346351722 /nfs/dbraw/zinc/35/17/22/346351722.db2.gz RAGAIBJVVRONPG-UHFFFAOYSA-N 1 0 193.294 1.570 20 0 ADADRO CCC1C[NH+](C[C@H]2CCCOC2)C1 334522633 346351750 /nfs/dbraw/zinc/35/17/50/346351750.db2.gz PCMJQUMOWWRTKT-LLVKDONJSA-N 1 0 183.295 1.755 20 0 ADADRO CCC1C[NH+](Cc2c(C)n[nH]c2C)C1 334523027 346352318 /nfs/dbraw/zinc/35/23/18/346352318.db2.gz XLFCPVSOZXEAGM-UHFFFAOYSA-N 1 0 193.294 1.868 20 0 ADADRO CNC(=O)C[N@@H+]1CCCCC(C)(C)C1 334537361 346352931 /nfs/dbraw/zinc/35/29/31/346352931.db2.gz FLRIOGBRBMTLQM-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO 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198.310 1.243 20 0 ADADRO Cc1ncc(C[N@@H+](C)C2CCC2)cn1 336509032 346469195 /nfs/dbraw/zinc/46/91/95/346469195.db2.gz CYVRHZBGWXGVAQ-UHFFFAOYSA-N 1 0 191.278 1.769 20 0 ADADRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C 336525432 346469571 /nfs/dbraw/zinc/46/95/71/346469571.db2.gz JTYNAMYKEMJBIC-JTQLQIEISA-N 1 0 198.310 1.338 20 0 ADADRO CC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 336529476 346469623 /nfs/dbraw/zinc/46/96/23/346469623.db2.gz WXEAFONRJGIUBK-VHSXEESVSA-N 1 0 198.310 1.195 20 0 ADADRO CCc1nnc(CN2CC[C@H](C)C2)[nH]1 336533629 346469759 /nfs/dbraw/zinc/46/97/59/346469759.db2.gz DPTDUVUCBWDAIG-QMMMGPOBSA-N 1 0 194.282 1.209 20 0 ADADRO CC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 336529472 346470096 /nfs/dbraw/zinc/47/00/96/346470096.db2.gz WXEAFONRJGIUBK-UWVGGRQHSA-N 1 0 198.310 1.195 20 0 ADADRO CCc1nnc(CN2CC[C@@H](C)C2)[nH]1 336533628 346470160 /nfs/dbraw/zinc/47/01/60/346470160.db2.gz DPTDUVUCBWDAIG-MRVPVSSYSA-N 1 0 194.282 1.209 20 0 ADADRO CC[C@@]1(C)CCC[N@H+](CC(=O)NC)C1 336546320 346470455 /nfs/dbraw/zinc/47/04/55/346470455.db2.gz MVVRFOKVUSZIHI-NSHDSACASA-N 1 0 198.310 1.245 20 0 ADADRO CCC[N@@H+]1C[C@H](C)[C@@H](N(C)C)C1 336552332 346470512 /nfs/dbraw/zinc/47/05/12/346470512.db2.gz GWHRJZBHGVDNOB-UWVGGRQHSA-N 1 0 170.300 1.278 20 0 ADADRO C[N@H+](CC1CCC1)[C@@H]1CCOC1 336552471 346470579 /nfs/dbraw/zinc/47/05/79/346470579.db2.gz DPTXJIVNAOYNTA-SNVBAGLBSA-N 1 0 169.268 1.507 20 0 ADADRO CCC[N@@H+]1CCN(C)C[C@@H]1C(C)C 336552321 346470635 /nfs/dbraw/zinc/47/06/35/346470635.db2.gz DVUGAYXOBNVSHE-LLVKDONJSA-N 1 0 184.327 1.668 20 0 ADADRO CCC[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 336552334 346470665 /nfs/dbraw/zinc/47/06/65/346470665.db2.gz GWHRJZBHGVDNOB-ZJUUUORDSA-N 1 0 170.300 1.278 20 0 ADADRO CC[C@]1(C)CCC[N@H+](CC(=O)NC)C1 336546319 346470671 /nfs/dbraw/zinc/47/06/71/346470671.db2.gz MVVRFOKVUSZIHI-LLVKDONJSA-N 1 0 198.310 1.245 20 0 ADADRO CCC[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 336552333 346470846 /nfs/dbraw/zinc/47/08/46/346470846.db2.gz GWHRJZBHGVDNOB-VHSXEESVSA-N 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399415640 346598664 /nfs/dbraw/zinc/59/86/64/346598664.db2.gz SLPMMMZUSRPQDA-ONGXEEELSA-N 1 0 199.294 1.670 20 0 ADADRO CCOC(=O)[C@H](C)[NH+]1C2CCC1CC2 399518400 346598710 /nfs/dbraw/zinc/59/87/10/346598710.db2.gz JBNLBQMTKCPQDV-IDKOKCKLSA-N 1 0 197.278 1.565 20 0 ADADRO CCOC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1CC 399547164 346598735 /nfs/dbraw/zinc/59/87/35/346598735.db2.gz SHFLUTJFEYFYST-ZJUUUORDSA-N 1 0 199.294 1.670 20 0 ADADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)OC 399556463 346598743 /nfs/dbraw/zinc/59/87/43/346598743.db2.gz UYWIEPRKJFWLJP-UWVGGRQHSA-N 1 0 199.294 1.670 20 0 ADADRO CCOC(=O)CC[NH+]1C2CCC1CC2 399518596 346598749 /nfs/dbraw/zinc/59/87/49/346598749.db2.gz JDSDAUBWZKGKAN-UHFFFAOYSA-N 1 0 197.278 1.566 20 0 ADADRO CCOC[C@@H](O)C[NH+]1C2CCC1CC2 399324201 346598785 /nfs/dbraw/zinc/59/87/85/346598785.db2.gz LEDATGAQVDYJIN-ILDUYXDCSA-N 1 0 199.294 1.011 20 0 ADADRO COC(=O)CCC[NH+]1C2CCC1CC2 399501094 346598815 /nfs/dbraw/zinc/59/88/15/346598815.db2.gz CUQFMSZSFLMPNK-UHFFFAOYSA-N 1 0 197.278 1.566 20 0 ADADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)OC 399556461 346598819 /nfs/dbraw/zinc/59/88/19/346598819.db2.gz UYWIEPRKJFWLJP-NXEZZACHSA-N 1 0 199.294 1.670 20 0 ADADRO CC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)OC)C1 399415638 346598829 /nfs/dbraw/zinc/59/88/29/346598829.db2.gz SLPMMMZUSRPQDA-MWLCHTKSSA-N 1 0 199.294 1.670 20 0 ADADRO CCOC(=O)C[N@@H+]1CC[C@](C)(CC)C1 399410218 346598889 /nfs/dbraw/zinc/59/88/89/346598889.db2.gz QYJNITKFIPWGMC-NSHDSACASA-N 1 0 199.294 1.672 20 0 ADADRO C[C@H](CN(C)C(=O)C[NH3+])C(C)(C)C 399540264 346598895 /nfs/dbraw/zinc/59/88/95/346598895.db2.gz WJJZLXOLVLIKDR-MRVPVSSYSA-N 1 0 186.299 1.086 20 0 ADADRO CCOC[C@H](O)C[NH+]1C2CCC1CC2 399324203 346598908 /nfs/dbraw/zinc/59/89/08/346598908.db2.gz LEDATGAQVDYJIN-VQXHTEKXSA-N 1 0 199.294 1.011 20 0 ADADRO CC[C@@]1(C)CC[N@H+](CCC(=O)OC)C1 399419461 346598933 /nfs/dbraw/zinc/59/89/33/346598933.db2.gz ULNLQUWQXQTRNU-NSHDSACASA-N 1 0 199.294 1.672 20 0 ADADRO CCOC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1CC 399547160 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631199288 347379322 /nfs/dbraw/zinc/37/93/22/347379322.db2.gz QXGJJWZHHARLPU-ZNSHCXBVSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 631199286 347379326 /nfs/dbraw/zinc/37/93/26/347379326.db2.gz QXGJJWZHHARLPU-MMWGEVLESA-N 1 0 183.295 1.536 20 0 ADADRO OC[C@H]1C[C@@H]([NH2+]Cc2cccs2)C1 631201427 347379429 /nfs/dbraw/zinc/37/94/29/347379429.db2.gz VQVPJRUNZTYLIL-DTORHVGOSA-N 1 0 197.303 1.609 20 0 ADADRO OC[C@H]1C[C@@H]([NH2+]C2CCCC2)C1 631200117 347379451 /nfs/dbraw/zinc/37/94/51/347379451.db2.gz XZQSYMFMBPHDKL-WAAGHKOSSA-N 1 0 169.268 1.290 20 0 ADADRO OC[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 631199639 347379556 /nfs/dbraw/zinc/37/95/56/347379556.db2.gz SQNJTZUAQHTMJA-OCAPTIKFSA-N 1 0 198.291 1.004 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 631199287 347379564 /nfs/dbraw/zinc/37/95/64/347379564.db2.gz QXGJJWZHHARLPU-UKKRHICBSA-N 1 0 183.295 1.536 20 0 ADADRO CC(C)(C)C[NH2+][C@H]1C[C@@H](CO)C1 631199812 347379602 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173.300 1.926 20 0 ADADRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccoc1 631668633 347385608 /nfs/dbraw/zinc/38/56/08/347385608.db2.gz CNVSPSIOBQMZER-KKZNHRDASA-N 1 0 195.262 1.701 20 0 ADADRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccoc1 631668632 347385617 /nfs/dbraw/zinc/38/56/17/347385617.db2.gz CNVSPSIOBQMZER-ATZCPNFKSA-N 1 0 195.262 1.701 20 0 ADADRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)[C@@H]1C[C@@H]1C 631670549 347385627 /nfs/dbraw/zinc/38/56/27/347385627.db2.gz BFLRVWNMNPOQPQ-HGCLJGPKSA-N 1 0 197.322 1.782 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 631668766 347385632 /nfs/dbraw/zinc/38/56/32/347385632.db2.gz NDLWOMBYABZCRM-BBBLOLIVSA-N 1 0 171.284 1.391 20 0 ADADRO C[C@H](CC1CC1)[NH2+][C@H]1C[C@@H](CO)C1 631669518 347385654 /nfs/dbraw/zinc/38/56/54/347385654.db2.gz KSUZRALFDKKUSA-IEBDPFPHSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccco1 631668015 347385663 /nfs/dbraw/zinc/38/56/63/347385663.db2.gz IXHYSWUMBPCRSY-BBBLOLIVSA-N 1 0 195.262 1.701 20 0 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20 0 ADADRO C[C@@H](C1CC1)N(C)CC12CC(C[NH2+]1)C2 634991739 347433105 /nfs/dbraw/zinc/43/31/05/347433105.db2.gz PXUCKNCMLPCKCE-BMQDGWLCSA-N 1 0 194.322 1.469 20 0 ADADRO C[C@H]1CN(CC23CC(C[NH2+]2)C3)C[C@@H]1C 634993183 347433767 /nfs/dbraw/zinc/43/37/67/347433767.db2.gz MVYLRWZRJYODIT-JYBOHDQNSA-N 1 0 194.322 1.326 20 0 ADADRO C[C@@H]1CN(CC23CC(C[NH2+]2)C3)C[C@H]1C 634993184 347433879 /nfs/dbraw/zinc/43/38/79/347433879.db2.gz MVYLRWZRJYODIT-QYNFOATHSA-N 1 0 194.322 1.326 20 0 ADADRO C[C@@H]1CN(CC23CC(C[NH2+]2)C3)C[C@@H]1C 634993185 347433900 /nfs/dbraw/zinc/43/39/00/347433900.db2.gz MVYLRWZRJYODIT-ZYANWLCNSA-N 1 0 194.322 1.326 20 0 ADADRO CN(CCC1CC1)CC12CC(C[NH2+]1)C2 634993322 347433912 /nfs/dbraw/zinc/43/39/12/347433912.db2.gz QSUVZBXKQLUQMQ-UHFFFAOYSA-N 1 0 194.322 1.470 20 0 ADADRO CN(CC12CC(C[NH2+]1)C2)C(C)(C)C 634996965 347435344 /nfs/dbraw/zinc/43/53/44/347435344.db2.gz ZZZHLZAVIYZUOD-UHFFFAOYSA-N 1 0 182.311 1.469 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]C1(C)COC1 639380987 347515291 /nfs/dbraw/zinc/51/52/91/347515291.db2.gz MTHUNDIHWYKMLX-JGVFFNPUSA-N 1 0 155.241 1.021 20 0 ADADRO CC(C)([NH3+])CN1CCC(C)(F)CC1 635001842 347436049 /nfs/dbraw/zinc/43/60/49/347436049.db2.gz HEOUOUNYDKCMBD-UHFFFAOYSA-N 1 0 188.290 1.548 20 0 ADADRO CC(C)CCCN1C[C@@H]2CC[C@H](C1)[NH2+]2 635001816 347436264 /nfs/dbraw/zinc/43/62/64/347436264.db2.gz DAQGROOZRAJELD-TXEJJXNPSA-N 1 0 196.338 1.859 20 0 ADADRO Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])o1 635009065 347436926 /nfs/dbraw/zinc/43/69/26/347436926.db2.gz LVHXDTJGHSUCBG-BDAKNGLRSA-N 1 0 196.294 1.803 20 0 ADADRO Cc1ccc(CN[C@@H](C)C2C[NH2+]C2)o1 635007892 347437162 /nfs/dbraw/zinc/43/71/62/347437162.db2.gz GYIGORKIPCVGQD-VIFPVBQESA-N 1 0 194.278 1.286 20 0 ADADRO Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])o1 635009085 347437194 /nfs/dbraw/zinc/43/71/94/347437194.db2.gz LVHXDTJGHSUCBG-IUCAKERBSA-N 1 0 196.294 1.803 20 0 ADADRO CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 635056425 347437240 /nfs/dbraw/zinc/43/72/40/347437240.db2.gz AHTOURXCFGRVAE-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])o1 635009086 347437283 /nfs/dbraw/zinc/43/72/83/347437283.db2.gz LVHXDTJGHSUCBG-RKDXNWHRSA-N 1 0 196.294 1.803 20 0 ADADRO Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])o1 635009084 347437332 /nfs/dbraw/zinc/43/73/32/347437332.db2.gz LVHXDTJGHSUCBG-DTWKUNHWSA-N 1 0 196.294 1.803 20 0 ADADRO Cc1ccc(CN[C@H](C)C2C[NH2+]C2)o1 635007867 347437378 /nfs/dbraw/zinc/43/73/78/347437378.db2.gz GYIGORKIPCVGQD-SECBINFHSA-N 1 0 194.278 1.286 20 0 ADADRO CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 635056424 347437396 /nfs/dbraw/zinc/43/73/96/347437396.db2.gz AHTOURXCFGRVAE-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO CCN(CC)C(=O)C1(C[NH+](C)C)CC1 635062693 347437772 /nfs/dbraw/zinc/43/77/72/347437772.db2.gz DNZSZRUMAGMFHA-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 635063266 347437857 /nfs/dbraw/zinc/43/78/57/347437857.db2.gz JKYJFGQSDALRPP-NXEZZACHSA-N 1 0 198.310 1.195 20 0 ADADRO CCCCNC(=O)C1(C[NH+](C)C)CC1 635064599 347438074 /nfs/dbraw/zinc/43/80/74/347438074.db2.gz DNZAYPFOSVSMHU-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 635063267 347438153 /nfs/dbraw/zinc/43/81/53/347438153.db2.gz JKYJFGQSDALRPP-VHSXEESVSA-N 1 0 198.310 1.195 20 0 ADADRO CC(C)CNC(=O)C1(C[NH+](C)C)CC1 635083772 347438636 /nfs/dbraw/zinc/43/86/36/347438636.db2.gz ACICPNJWBKZMMU-UHFFFAOYSA-N 1 0 198.310 1.100 20 0 ADADRO C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)C 635077003 347438835 /nfs/dbraw/zinc/43/88/35/347438835.db2.gz APWHDKUZQFWXSV-NXEZZACHSA-N 1 0 198.310 1.338 20 0 ADADRO C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)C 635077004 347438858 /nfs/dbraw/zinc/43/88/58/347438858.db2.gz APWHDKUZQFWXSV-VHSXEESVSA-N 1 0 198.310 1.338 20 0 ADADRO C[C@H](C(=O)N1C2CCC1CC2)[NH+](C)C 635178799 347439346 /nfs/dbraw/zinc/43/93/46/347439346.db2.gz CLJKQQCBOFDXKB-XNWIYYODSA-N 1 0 196.294 1.090 20 0 ADADRO C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)[NH+](C)C 635188972 347439429 /nfs/dbraw/zinc/43/94/29/347439429.db2.gz RZSJYTQCQLBYID-DTWKUNHWSA-N 1 0 198.310 1.193 20 0 ADADRO C[NH+](C)CC1(C(=O)NC(C)(C)C)CC1 635201180 347439482 /nfs/dbraw/zinc/43/94/82/347439482.db2.gz NXKIQGAPAMKHKH-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H](C(=O)N(C)C1CCCC1)[NH+](C)C 635185522 347439542 /nfs/dbraw/zinc/43/95/42/347439542.db2.gz PWLRPJOOJXRAEU-SECBINFHSA-N 1 0 198.310 1.338 20 0 ADADRO CCCCN(C)C(=O)[C@@H](C)[NH+](C)C 635198955 347439575 /nfs/dbraw/zinc/43/95/75/347439575.db2.gz HEXZZPZVRIZKRR-SECBINFHSA-N 1 0 186.299 1.195 20 0 ADADRO CN(C)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 635203133 347439595 /nfs/dbraw/zinc/43/95/95/347439595.db2.gz JDWKGLVICSCLKN-SNVBAGLBSA-N 1 0 196.294 1.092 20 0 ADADRO C[C@H](C1CC1)N(C)C(=O)[C@@H](C)[NH+](C)C 635188973 347439775 /nfs/dbraw/zinc/43/97/75/347439775.db2.gz RZSJYTQCQLBYID-RKDXNWHRSA-N 1 0 198.310 1.193 20 0 ADADRO CN(C)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 635203131 347439825 /nfs/dbraw/zinc/43/98/25/347439825.db2.gz JDWKGLVICSCLKN-JTQLQIEISA-N 1 0 196.294 1.092 20 0 ADADRO CC(C)N(C)C(=O)C1(C[NH+](C)C)CC1 635225183 347440235 /nfs/dbraw/zinc/44/02/35/347440235.db2.gz ALVUQEZJLSCITJ-UHFFFAOYSA-N 1 0 198.310 1.195 20 0 ADADRO CC(C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C 635225628 347440305 /nfs/dbraw/zinc/44/03/05/347440305.db2.gz JVQJZCVWTAFGIC-JTQLQIEISA-N 1 0 198.310 1.338 20 0 ADADRO CCCN(CC)C(=O)[C@@H](C)[NH+](C)C 635246838 347440762 /nfs/dbraw/zinc/44/07/62/347440762.db2.gz FEJYHOHRYJZDQH-SECBINFHSA-N 1 0 186.299 1.195 20 0 ADADRO C[C@H](C(=O)NCC1CCCC1)[NH+](C)C 635252977 347441124 /nfs/dbraw/zinc/44/11/24/347441124.db2.gz KNLRHSLQUYCOIW-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)CN(C)C(=O)[C@@H](C)[NH+](C)C 635247047 347441137 /nfs/dbraw/zinc/44/11/37/347441137.db2.gz JRANZNUPLZKCMP-SECBINFHSA-N 1 0 186.299 1.051 20 0 ADADRO C[C@H](C(=O)NCC(C)(C)C)[NH+](C)C 635414016 347442081 /nfs/dbraw/zinc/44/20/81/347442081.db2.gz FDJFEQFIWXLHPE-MRVPVSSYSA-N 1 0 186.299 1.099 20 0 ADADRO CC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+](C)C 635462450 347442508 /nfs/dbraw/zinc/44/25/08/347442508.db2.gz QOGAVAXNJBXDON-RKDXNWHRSA-N 1 0 186.299 1.193 20 0 ADADRO CC[C@H](C)N(C)C(=O)[C@@H](C)[NH+](C)C 635462449 347442522 /nfs/dbraw/zinc/44/25/22/347442522.db2.gz QOGAVAXNJBXDON-DTWKUNHWSA-N 1 0 186.299 1.193 20 0 ADADRO C[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)C1CC1 635421159 347442571 /nfs/dbraw/zinc/44/25/71/347442571.db2.gz LCYPRNWZLCQHIG-DTWKUNHWSA-N 1 0 198.310 1.099 20 0 ADADRO C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)C1CC1 635421161 347442583 /nfs/dbraw/zinc/44/25/83/347442583.db2.gz LCYPRNWZLCQHIG-RKDXNWHRSA-N 1 0 198.310 1.099 20 0 ADADRO CCCN(C)C(=O)C1(C[NH+](C)C)CC1 635449233 347442599 /nfs/dbraw/zinc/44/25/99/347442599.db2.gz RNKOLFQPYNCGCG-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO C[C@H](C(=O)NC1(C)CCCC1)[NH+](C)C 635424417 347442671 /nfs/dbraw/zinc/44/26/71/347442671.db2.gz FKXPUKRZTMENTH-SECBINFHSA-N 1 0 198.310 1.385 20 0 ADADRO C[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)[NH+](C)C 635506036 347443190 /nfs/dbraw/zinc/44/31/90/347443190.db2.gz LJMUBSXQZYMBJN-AEJSXWLSSA-N 1 0 198.310 1.241 20 0 ADADRO CC[C@H]1CCCN1C(=O)[C@@H](C)[NH+](C)C 635487890 347443227 /nfs/dbraw/zinc/44/32/27/347443227.db2.gz VGGSBTZCMBDMIZ-ZJUUUORDSA-N 1 0 198.310 1.338 20 0 ADADRO C[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)[NH+](C)C 635506039 347443366 /nfs/dbraw/zinc/44/33/66/347443366.db2.gz LJMUBSXQZYMBJN-OPRDCNLKSA-N 1 0 198.310 1.241 20 0 ADADRO CC[C@@H]1CCCN1C(=O)[C@@H](C)[NH+](C)C 635487889 347443380 /nfs/dbraw/zinc/44/33/80/347443380.db2.gz VGGSBTZCMBDMIZ-NXEZZACHSA-N 1 0 198.310 1.338 20 0 ADADRO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)[NH+](C)C 635506037 347443415 /nfs/dbraw/zinc/44/34/15/347443415.db2.gz LJMUBSXQZYMBJN-BBBLOLIVSA-N 1 0 198.310 1.241 20 0 ADADRO CC(C)N(C(=O)[C@@H](C)[NH+](C)C)C1CC1 635498169 347443502 /nfs/dbraw/zinc/44/35/02/347443502.db2.gz XVAAQUWHKUTGHL-SECBINFHSA-N 1 0 198.310 1.336 20 0 ADADRO CCCN(C(=O)[C@@H](C)[NH+](C)C)C1CC1 635498489 347443505 /nfs/dbraw/zinc/44/35/05/347443505.db2.gz FNBOQSCODYWKJG-SECBINFHSA-N 1 0 198.310 1.338 20 0 ADADRO C[C@H]1CCC[C@H]1NC(=O)[C@@H](C)[NH+](C)C 635506038 347443511 /nfs/dbraw/zinc/44/35/11/347443511.db2.gz LJMUBSXQZYMBJN-IVZWLZJFSA-N 1 0 198.310 1.241 20 0 ADADRO C[C@H](C(=O)NC[C@H]1CC1(C)C)[NH+](C)C 635554048 347444010 /nfs/dbraw/zinc/44/40/10/347444010.db2.gz LBVMVFBVGOPPBE-RKDXNWHRSA-N 1 0 198.310 1.099 20 0 ADADRO C[C@H](C(=O)NCCCC1CC1)[NH+](C)C 635583799 347444037 /nfs/dbraw/zinc/44/40/37/347444037.db2.gz VUOKNKCHISJLJT-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H](C(=O)N[C@@H]1CC=CCC1)[NH+](C)C 635582459 347444100 /nfs/dbraw/zinc/44/41/00/347444100.db2.gz LTMZTHXAUXKSDC-NXEZZACHSA-N 1 0 196.294 1.161 20 0 ADADRO CCN(CC1CC1)C(=O)[C@@H](C)[NH+](C)C 635551077 347444162 /nfs/dbraw/zinc/44/41/62/347444162.db2.gz GYQDDGOSABTWMO-SECBINFHSA-N 1 0 198.310 1.195 20 0 ADADRO C[C@H](C(=O)N[C@H]1CC=CCC1)[NH+](C)C 635582463 347444173 /nfs/dbraw/zinc/44/41/73/347444173.db2.gz LTMZTHXAUXKSDC-ZJUUUORDSA-N 1 0 196.294 1.161 20 0 ADADRO C[C@H](C(=O)NC[C@@H]1CC1(C)C)[NH+](C)C 635554047 347444220 /nfs/dbraw/zinc/44/42/20/347444220.db2.gz LBVMVFBVGOPPBE-BDAKNGLRSA-N 1 0 198.310 1.099 20 0 ADADRO C[C@H]1C[C@@H](C)CN1C(=O)[C@@H](C)[NH+](C)C 635596672 347444598 /nfs/dbraw/zinc/44/45/98/347444598.db2.gz LZVJZJUPQNXIJS-KXUCPTDWSA-N 1 0 198.310 1.193 20 0 ADADRO C[C@H](C(=O)N1CCC(C)(C)C1)[NH+](C)C 635624023 347444750 /nfs/dbraw/zinc/44/47/50/347444750.db2.gz GJYLTQNRGRLUGY-SECBINFHSA-N 1 0 198.310 1.195 20 0 ADADRO C[C@H]1C[C@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C1 635596673 347444824 /nfs/dbraw/zinc/44/48/24/347444824.db2.gz LZVJZJUPQNXIJS-LPEHRKFASA-N 1 0 198.310 1.193 20 0 ADADRO C[C@H](C(=O)NC(C)(C)C1CC1)[NH+](C)C 635604071 347444851 /nfs/dbraw/zinc/44/48/51/347444851.db2.gz CYDDHGXBQVXHKY-MRVPVSSYSA-N 1 0 198.310 1.241 20 0 ADADRO C[C@H]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C1 635596671 347444927 /nfs/dbraw/zinc/44/49/27/347444927.db2.gz LZVJZJUPQNXIJS-IVZWLZJFSA-N 1 0 198.310 1.193 20 0 ADADRO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+](C)C)C1 635596674 347444953 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/nfs/dbraw/zinc/55/82/31/347558231.db2.gz NMQKMANWNJBKRM-UHFFFAOYSA-N 1 0 194.282 1.136 20 0 ADADRO C[NH2+][C@@H](C)c1cn(CC=C(C)C)nn1 640846387 347558424 /nfs/dbraw/zinc/55/84/24/347558424.db2.gz RXMNZWISADXTQT-VIFPVBQESA-N 1 0 194.282 1.525 20 0 ADADRO CC[NH2+]Cc1cn(CC=C(C)C)nn1 640846334 347558441 /nfs/dbraw/zinc/55/84/41/347558441.db2.gz PSXVSMHJAIESMX-UHFFFAOYSA-N 1 0 194.282 1.354 20 0 ADADRO CC[C@H]([NH3+])c1cn(CC=C(C)C)nn1 640846306 347558458 /nfs/dbraw/zinc/55/84/58/347558458.db2.gz OSPXTSLLISPPJM-VIFPVBQESA-N 1 0 194.282 1.654 20 0 ADADRO CC[C@@H](C)n1cc(C(C)(C)[NH2+]C)nn1 640939267 347558905 /nfs/dbraw/zinc/55/89/05/347558905.db2.gz POCZBKVUWMFBHB-MRVPVSSYSA-N 1 0 196.298 1.704 20 0 ADADRO C[NH2+]Cc1cn(CCC=C(C)C)nn1 640944315 347558952 /nfs/dbraw/zinc/55/89/52/347558952.db2.gz DCYTVALERJLTBC-UHFFFAOYSA-N 1 0 194.282 1.354 20 0 ADADRO CC[C@H](C)n1cc(CC[NH+](C)C)nn1 640937726 347559028 /nfs/dbraw/zinc/55/90/28/347559028.db2.gz BHWOEUNTZLOZAU-VIFPVBQESA-N 1 0 196.298 1.353 20 0 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/nfs/dbraw/zinc/55/99/59/347559959.db2.gz OLARZBFDHRGSJN-JTQLQIEISA-N 1 0 192.266 1.279 20 0 ADADRO CC/C=C\CCn1cc(C[NH2+]C)nn1 641066245 347560383 /nfs/dbraw/zinc/56/03/83/347560383.db2.gz WYDNAUJEQNHVLS-PLNGDYQASA-N 1 0 194.282 1.354 20 0 ADADRO C[NH2+]Cc1cn(CC2=CCCC2)nn1 641067489 347560500 /nfs/dbraw/zinc/56/05/00/347560500.db2.gz OJIVWPSMQUIDPT-UHFFFAOYSA-N 1 0 192.266 1.108 20 0 ADADRO CC/C=C\CCn1cc(CC[NH3+])nn1 641065361 347560513 /nfs/dbraw/zinc/56/05/13/347560513.db2.gz DKGHLRNHZAZUAI-ARJAWSKDSA-N 1 0 194.282 1.136 20 0 ADADRO CC/C=C/CCn1cc(CC[NH3+])nn1 641065362 347560733 /nfs/dbraw/zinc/56/07/33/347560733.db2.gz DKGHLRNHZAZUAI-ONEGZZNKSA-N 1 0 194.282 1.136 20 0 ADADRO CC/C=C/CCn1cc(C[NH2+]C)nn1 641066246 347560745 /nfs/dbraw/zinc/56/07/45/347560745.db2.gz WYDNAUJEQNHVLS-SNAWJCMRSA-N 1 0 194.282 1.354 20 0 ADADRO CCn1cc([C@@H]([NH3+])C(C)(C)C)nn1 641187477 347562031 /nfs/dbraw/zinc/56/20/31/347562031.db2.gz LTOMGKZOEZDEPI-MRVPVSSYSA-N 1 0 182.271 1.344 20 0 ADADRO CCn1cc([C@H]([NH3+])C(C)(C)C)nn1 641187478 347562122 /nfs/dbraw/zinc/56/21/22/347562122.db2.gz LTOMGKZOEZDEPI-QMMMGPOBSA-N 1 0 182.271 1.344 20 0 ADADRO CC(C)[C@@H](C(=O)N1CC[C@H]1C)[NH+](C)C 641240833 347564158 /nfs/dbraw/zinc/56/41/58/347564158.db2.gz IGUZEYAVNQVINE-ZJUUUORDSA-N 1 0 198.310 1.193 20 0 ADADRO CC(C)[C@@H](C(=O)N1CC[C@@H]1C)[NH+](C)C 641240832 347564253 /nfs/dbraw/zinc/56/42/53/347564253.db2.gz IGUZEYAVNQVINE-UWVGGRQHSA-N 1 0 198.310 1.193 20 0 ADADRO CC1(C)C[C@H]1Nc1cc(CO)ccn1 641304659 347569624 /nfs/dbraw/zinc/56/96/24/347569624.db2.gz SERJORIAZHLYON-SECBINFHSA-N 1 0 192.262 1.784 20 0 ADADRO C[C@H](CNc1ccncc1F)[NH+](C)C 641313419 347569833 /nfs/dbraw/zinc/56/98/33/347569833.db2.gz OLVUIUSOFYEYRY-MRVPVSSYSA-N 1 0 197.257 1.005 20 0 ADADRO CC1(C)C[C@@H]1Nc1cc(CO)ccn1 641304661 347569957 /nfs/dbraw/zinc/56/99/57/347569957.db2.gz SERJORIAZHLYON-VIFPVBQESA-N 1 0 192.262 1.784 20 0 ADADRO C[C@@H](CNc1ccncc1F)[NH+](C)C 641313421 347570836 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/nfs/dbraw/zinc/50/13/58/351501358.db2.gz ZBSSNXOSQNVMNF-UHFFFAOYSA-N 1 0 190.290 1.740 20 0 ADADRO OCCCC[NH2+]CC1CCCCC1 39398457 351501994 /nfs/dbraw/zinc/50/19/94/351501994.db2.gz PBLWQZKPJLFKFK-UHFFFAOYSA-N 1 0 185.311 1.929 20 0 ADADRO CC(C)CCC[C@H](C)NC(=O)C[NH3+] 40430771 351506845 /nfs/dbraw/zinc/50/68/45/351506845.db2.gz YMZWOVRYDQMQLN-VIFPVBQESA-N 1 0 186.299 1.276 20 0 ADADRO CC(C)CCC[C@@H](C)NC(=O)C[NH3+] 40430769 351507011 /nfs/dbraw/zinc/50/70/11/351507011.db2.gz YMZWOVRYDQMQLN-SECBINFHSA-N 1 0 186.299 1.276 20 0 ADADRO c1nc(C[NH2+]C2CCOCC2)cs1 40504174 351507798 /nfs/dbraw/zinc/50/77/98/351507798.db2.gz QUZLRPOVPUONBH-UHFFFAOYSA-N 1 0 198.291 1.412 20 0 ADADRO c1nc(C[NH2+]C[C@H]2CCOC2)cs1 40505235 351507896 /nfs/dbraw/zinc/50/78/96/351507896.db2.gz RUKZJDPMQYJHKW-MRVPVSSYSA-N 1 0 198.291 1.269 20 0 ADADRO c1nc(C[NH2+]CC2CC2)cs1 40504058 351507912 /nfs/dbraw/zinc/50/79/12/351507912.db2.gz AOLVBJSTHNUGQL-UHFFFAOYSA-N 1 0 168.265 1.643 20 0 ADADRO C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(C)(C)C 40468909 351508116 /nfs/dbraw/zinc/50/81/16/351508116.db2.gz SXNZFVSMMXQSGG-RKDXNWHRSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)C(=O)NCC(C)(C)[NH+](C)C 40616148 351508601 /nfs/dbraw/zinc/50/86/01/351508601.db2.gz FQPLORPFVCKPDA-UHFFFAOYSA-N 1 0 186.299 1.099 20 0 ADADRO OCc1ccc(C[NH+]2CCCC2)o1 40542580 351508622 /nfs/dbraw/zinc/50/86/22/351508622.db2.gz POLAFJCRVYXYDM-UHFFFAOYSA-N 1 0 181.235 1.368 20 0 endogenous,in-man ADADRO c1cnn(CC[NH2+]C2CCCC2)c1 40543440 351508987 /nfs/dbraw/zinc/50/89/87/351508987.db2.gz DXRSLJCGUNUNBQ-UHFFFAOYSA-N 1 0 179.267 1.415 20 0 ADADRO c1cnn(CC[NH2+]C2CCCCC2)c1 40543436 351508983 /nfs/dbraw/zinc/50/89/83/351508983.db2.gz AWZNAZJQKMKYND-UHFFFAOYSA-N 1 0 193.294 1.805 20 0 ADADRO O[C@H]1CC[N@H+](CCc2ccccc2)C1 40671522 351509045 /nfs/dbraw/zinc/50/90/45/351509045.db2.gz RIYQNVRAUWHVNR-LBPRGKRZSA-N 1 0 191.274 1.296 20 0 ADADRO O[C@@H]1CC[N@H+](CCc2ccccc2)C1 40671523 351509122 /nfs/dbraw/zinc/50/91/22/351509122.db2.gz 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82590956 351640442 /nfs/dbraw/zinc/64/04/42/351640442.db2.gz QKIVVSMNGKCYCU-JTQLQIEISA-N 1 0 198.310 1.230 20 0 ADADRO NC[C@@H]1CCC[N@@H+]1C1CCCC1 82595153 351640477 /nfs/dbraw/zinc/64/04/77/351640477.db2.gz YARZWCAMQSVZLU-JTQLQIEISA-N 1 0 168.284 1.352 20 0 ADADRO CC(C)C[N@@H+]1CC[C@H](C)C[C@H]1CN 82643412 351640634 /nfs/dbraw/zinc/64/06/34/351640634.db2.gz AKCWSNSGDRBIOP-QWRGUYRKSA-N 1 0 184.327 1.702 20 0 ADADRO CC(C)(O)C[NH2+]Cc1cccc(O)c1 82687422 351641362 /nfs/dbraw/zinc/64/13/62/351641362.db2.gz UAQWQJVDOYMZIT-UHFFFAOYSA-N 1 0 195.262 1.253 20 0 ADADRO c1nc([C@H]2CCC[NH2+]2)n2c1CCCC2 82890413 351642294 /nfs/dbraw/zinc/64/22/94/351642294.db2.gz KUQJHYUNAGIRMU-SNVBAGLBSA-N 1 0 191.278 1.644 20 0 ADADRO c1nc([C@@H]2CCC[NH2+]2)n2c1CCCC2 82890412 351642304 /nfs/dbraw/zinc/64/23/04/351642304.db2.gz KUQJHYUNAGIRMU-JTQLQIEISA-N 1 0 191.278 1.644 20 0 ADADRO [NH3+][C@@H]1COc2cccc(Cl)c2C1 82876689 351642311 /nfs/dbraw/zinc/64/23/11/351642311.db2.gz NKXULVFIYGWLSO-LURJTMIESA-N 1 0 183.638 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ADADRO CC(C)C[C@@H](C)[NH2+]CC[C@H](C)O 82992911 351643794 /nfs/dbraw/zinc/64/37/94/351643794.db2.gz KMOOIKQKJLIZDU-ZJUUUORDSA-N 1 0 173.300 1.782 20 0 ADADRO CC(C)(C)OC(=O)[C@@H]1CCC[C@H]1[NH3+] 82919607 351643731 /nfs/dbraw/zinc/64/37/31/351643731.db2.gz TUOXUKFPVXCENT-HTQZYQBOSA-N 1 0 185.267 1.456 20 0 ADADRO CC(C)[C@@H]1CNCC[N@@H+]1CC1CCC1 83086563 351643821 /nfs/dbraw/zinc/64/38/21/351643821.db2.gz QBKDAIBLDFYKAE-LBPRGKRZSA-N 1 0 196.338 1.716 20 0 ADADRO CC(C)CC[N@@H+]1CCNC[C@H]1C(C)C 82926897 351643866 /nfs/dbraw/zinc/64/38/66/351643866.db2.gz CYBVUPXUDDDDOQ-LBPRGKRZSA-N 1 0 198.354 1.962 20 0 ADADRO c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@H]21 83272334 351644126 /nfs/dbraw/zinc/64/41/26/351644126.db2.gz KVHRAUCTFAPKRA-KOLCDFICSA-N 1 0 175.231 1.525 20 0 ADADRO O[C@@H]1CC[NH2+]Cc2ccccc21 83269575 351644391 /nfs/dbraw/zinc/64/43/91/351644391.db2.gz FDTCSQHVULAFEA-SNVBAGLBSA-N 1 0 163.220 1.213 20 0 in-vitro ADADRO c1ccc2c(c1)O[C@@H]1C[NH2+]CC[C@H]21 83272336 351644468 /nfs/dbraw/zinc/64/44/68/351644468.db2.gz KVHRAUCTFAPKRA-MWLCHTKSSA-N 1 0 175.231 1.525 20 0 ADADRO OC[C@@H]1[NH2+]CCc2cc(Cl)ccc21 83300796 351644508 /nfs/dbraw/zinc/64/45/08/351644508.db2.gz LGGVOQIFMZMCFS-JTQLQIEISA-N 1 0 197.665 1.519 20 0 ADADRO c1ccc2c(c1)O[C@@H]1C[NH2+]CC[C@@H]21 83272335 351644679 /nfs/dbraw/zinc/64/46/79/351644679.db2.gz KVHRAUCTFAPKRA-GXSJLCMTSA-N 1 0 175.231 1.525 20 0 ADADRO OC[C@H]1[NH2+]CCc2cc(Cl)ccc21 83300793 351644733 /nfs/dbraw/zinc/64/47/33/351644733.db2.gz LGGVOQIFMZMCFS-SNVBAGLBSA-N 1 0 197.665 1.519 20 0 ADADRO O[C@H]1CC[NH2+]Cc2ccccc21 83269574 351644799 /nfs/dbraw/zinc/64/47/99/351644799.db2.gz FDTCSQHVULAFEA-JTQLQIEISA-N 1 0 163.220 1.213 20 0 in-vitro ADADRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)O)C1 83461556 351645268 /nfs/dbraw/zinc/64/52/68/351645268.db2.gz NWDBXWWHRPAZMQ-RKDXNWHRSA-N 1 0 171.284 1.536 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)O)C1 83461552 351645311 /nfs/dbraw/zinc/64/53/11/351645311.db2.gz NWDBXWWHRPAZMQ-BDAKNGLRSA-N 1 0 171.284 1.536 20 0 ADADRO CC(C)(O)C[NH2+]Cc1cncs1 83461661 351645359 /nfs/dbraw/zinc/64/53/59/351645359.db2.gz WTDJPIVGIJXFTF-UHFFFAOYSA-N 1 0 186.280 1.004 20 0 ADADRO OCC[NH2+]Cc1ccc2cc[nH]c2c1 83341573 351645493 /nfs/dbraw/zinc/64/54/93/351645493.db2.gz TZDUMVSPMSCFMW-UHFFFAOYSA-N 1 0 190.246 1.250 20 0 ADADRO C[C@@H]1CC[C@@H](C)[N@H+](CCN)C1 84045039 351648219 /nfs/dbraw/zinc/64/82/19/351648219.db2.gz JBLDWYZIFBZKGQ-RKDXNWHRSA-N 1 0 156.273 1.066 20 0 in-vitro ADADRO c1cc2c(o1)CCC[NH2+]C2 84234118 351648558 /nfs/dbraw/zinc/64/85/58/351648558.db2.gz INHBEZLAWKRIEI-UHFFFAOYSA-N 1 0 137.182 1.315 20 0 in-vitro ADADRO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1C[NH3+] 84305739 351649370 /nfs/dbraw/zinc/64/93/70/351649370.db2.gz PLDOKEORRWQFLE-RKDXNWHRSA-N 1 0 199.294 1.703 20 0 ADADRO CC(C)(C)OC(=O)[C@@H]1CCC[C@H]1C[NH3+] 84305747 351649837 /nfs/dbraw/zinc/64/98/37/351649837.db2.gz PLDOKEORRWQFLE-DTWKUNHWSA-N 1 0 199.294 1.703 20 0 ADADRO c1cc(C[C@H]2CC[NH2+]C2)cs1 84331294 351649891 /nfs/dbraw/zinc/64/98/91/351649891.db2.gz LLGVKWRCPWPWNJ-MRVPVSSYSA-N 1 0 167.277 1.900 20 0 ADADRO c1nc(C2CCC2)nc2c1C[NH2+]CC2 84249231 351649895 /nfs/dbraw/zinc/64/98/95/351649895.db2.gz SXDZHXOKBVCUHI-UHFFFAOYSA-N 1 0 189.262 1.390 20 0 ADADRO CC(C)(C)OC(=O)[C@H]1CCC[C@H]1C[NH3+] 84305752 351649917 /nfs/dbraw/zinc/64/99/17/351649917.db2.gz PLDOKEORRWQFLE-IUCAKERBSA-N 1 0 199.294 1.703 20 0 ADADRO CC(C)(C)OC(=O)[C@H]1CCC[C@@H]1C[NH3+] 84305744 351649974 /nfs/dbraw/zinc/64/99/74/351649974.db2.gz PLDOKEORRWQFLE-BDAKNGLRSA-N 1 0 199.294 1.703 20 0 ADADRO CC(C)([NH3+])CNc1ccc(F)cc1 84447354 351650742 /nfs/dbraw/zinc/65/07/42/351650742.db2.gz HYUQBXRRYIRGJD-UHFFFAOYSA-N 1 0 182.242 1.975 20 0 ADADRO OC[C@]1(Cc2ccccc2)CC[NH2+]C1 85042318 351652704 /nfs/dbraw/zinc/65/27/04/351652704.db2.gz ZDDYYFFDCHUYMD-LBPRGKRZSA-N 1 0 191.274 1.201 20 0 in-vitro ADADRO C[C@H]([NH3+])C(=O)N[C@H]1CCCCC1(C)C 86877618 351656548 /nfs/dbraw/zinc/65/65/48/351656548.db2.gz IMNHPKCKUMSLNR-IUCAKERBSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC1(C)C 86876775 351656635 /nfs/dbraw/zinc/65/66/35/351656635.db2.gz PHEKCYHNLONDDN-RKDXNWHRSA-N 1 0 198.310 1.419 20 0 ADADRO C[NH2+]CC(=O)N[C@@H]1CCCCC1(C)C 86877599 351656645 /nfs/dbraw/zinc/65/66/45/351656645.db2.gz FDUKHZCYSBLOCN-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCCC1(C)C 86877612 351656656 /nfs/dbraw/zinc/65/66/56/351656656.db2.gz IMNHPKCKUMSLNR-DTWKUNHWSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C 86877154 351656788 /nfs/dbraw/zinc/65/67/88/351656788.db2.gz RZFZJIWDGXSNAC-SFYZADRCSA-N 1 0 184.283 1.029 20 0 ADADRO CC1(C)CCCC[C@H]1NC(=O)C[NH3+] 86877646 351656803 /nfs/dbraw/zinc/65/68/03/351656803.db2.gz YFGCPNJJFSLVIX-MRVPVSSYSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C 86877207 351656862 /nfs/dbraw/zinc/65/68/62/351656862.db2.gz HSAFCOPDMBBVJT-IUCAKERBSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])C(=O)N[C@H]1CCCCC1(C)C 86877620 351656907 /nfs/dbraw/zinc/65/69/07/351656907.db2.gz IMNHPKCKUMSLNR-BDAKNGLRSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C 86877149 351656957 /nfs/dbraw/zinc/65/69/57/351656957.db2.gz RZFZJIWDGXSNAC-HTQZYQBOSA-N 1 0 184.283 1.029 20 0 ADADRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C 86877206 351656987 /nfs/dbraw/zinc/65/69/87/351656987.db2.gz HSAFCOPDMBBVJT-DTWKUNHWSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 86884846 351656994 /nfs/dbraw/zinc/65/69/94/351656994.db2.gz FGKQOYQSAPXGIZ-ZJUUUORDSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C 86877146 351656999 /nfs/dbraw/zinc/65/69/99/351656999.db2.gz RZFZJIWDGXSNAC-JGVFFNPUSA-N 1 0 184.283 1.029 20 0 ADADRO C[NH2+]CC(=O)N[C@H]1CCCCC1(C)C 86877596 351657012 /nfs/dbraw/zinc/65/70/12/351657012.db2.gz FDUKHZCYSBLOCN-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CC1(C)CCCC[C@@H]1NC(=O)C[NH3+] 86877643 351657017 /nfs/dbraw/zinc/65/70/17/351657017.db2.gz YFGCPNJJFSLVIX-QMMMGPOBSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 86884860 351657089 /nfs/dbraw/zinc/65/70/89/351657089.db2.gz FGKQOYQSAPXGIZ-VHSXEESVSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C 86877151 351657112 /nfs/dbraw/zinc/65/71/12/351657112.db2.gz RZFZJIWDGXSNAC-YUMQZZPRSA-N 1 0 184.283 1.029 20 0 ADADRO C[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC1(C)C 86877615 351657138 /nfs/dbraw/zinc/65/71/38/351657138.db2.gz IMNHPKCKUMSLNR-RKDXNWHRSA-N 1 0 198.310 1.419 20 0 ADADRO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCC1(C)C 86876782 351657153 /nfs/dbraw/zinc/65/71/53/351657153.db2.gz PHEKCYHNLONDDN-BDAKNGLRSA-N 1 0 198.310 1.419 20 0 ADADRO CC(C)(O)C[NH2+][C@@H]1CCCC1(C)C 86865306 351657183 /nfs/dbraw/zinc/65/71/83/351657183.db2.gz ORJXONYEOCAFSU-SECBINFHSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 86930616 351657323 /nfs/dbraw/zinc/65/73/23/351657323.db2.gz HPXKLHHWGONBFD-WDEREUQCSA-N 1 0 182.311 1.565 20 0 ADADRO CCCCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 86885143 351657345 /nfs/dbraw/zinc/65/73/45/351657345.db2.gz ZPLJVOQZONPUIG-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO CC[NH2+][C@@H]1CCOC2(CCC2)C1 86900862 351657456 /nfs/dbraw/zinc/65/74/56/351657456.db2.gz OXUGTLRGWTZRKM-SECBINFHSA-N 1 0 169.268 1.698 20 0 ADADRO CCCCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 86885150 351657470 /nfs/dbraw/zinc/65/74/70/351657470.db2.gz ZPLJVOQZONPUIG-VHSXEESVSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1[NH3+] 86885355 351657495 /nfs/dbraw/zinc/65/74/95/351657495.db2.gz VQKXVRJGEHMIOJ-BDAKNGLRSA-N 1 0 198.310 1.228 20 0 ADADRO C1CCN2CC[N@@H+](CC3CC3)C[C@@H]2C1 86929269 351657510 /nfs/dbraw/zinc/65/75/10/351657510.db2.gz YVADMADTHLPXGP-LBPRGKRZSA-N 1 0 194.322 1.567 20 0 ADADRO CC(C)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 86900801 351657544 /nfs/dbraw/zinc/65/75/44/351657544.db2.gz GZLDIBZAPNYGFU-WDEREUQCSA-N 1 0 199.294 1.323 20 0 ADADRO C1CC2(C1)C[C@H]([NH2+]C1CC1)CCO2 86900769 351657557 /nfs/dbraw/zinc/65/75/57/351657557.db2.gz UOIVLJSSMBHLML-SNVBAGLBSA-N 1 0 181.279 1.840 20 0 ADADRO CCCCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 86885145 351657596 /nfs/dbraw/zinc/65/75/96/351657596.db2.gz ZPLJVOQZONPUIG-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H]1CN(C(=O)C(C)(C)C)CC[C@H]1[NH3+] 86885359 351657679 /nfs/dbraw/zinc/65/76/79/351657679.db2.gz VQKXVRJGEHMIOJ-RKDXNWHRSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1[NH3+] 86885362 351657683 /nfs/dbraw/zinc/65/76/83/351657683.db2.gz VQKXVRJGEHMIOJ-DTWKUNHWSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC1 86930530 351657696 /nfs/dbraw/zinc/65/76/96/351657696.db2.gz MNFAGGMZOIEBJO-CMPLNLGQSA-N 1 0 194.322 1.565 20 0 ADADRO CC(C)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 86900798 351657721 /nfs/dbraw/zinc/65/77/21/351657721.db2.gz GZLDIBZAPNYGFU-GHMZBOCLSA-N 1 0 199.294 1.323 20 0 ADADRO CCCCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 86885148 351657781 /nfs/dbraw/zinc/65/77/81/351657781.db2.gz ZPLJVOQZONPUIG-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO CC[NH2+][C@H]1CCOC2(CCC2)C1 86900865 351657932 /nfs/dbraw/zinc/65/79/32/351657932.db2.gz OXUGTLRGWTZRKM-VIFPVBQESA-N 1 0 169.268 1.698 20 0 ADADRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC 86930634 351658032 /nfs/dbraw/zinc/65/80/32/351658032.db2.gz GFCPRAPYVCLLST-GHMZBOCLSA-N 1 0 182.311 1.565 20 0 ADADRO CC[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 86930614 351658041 /nfs/dbraw/zinc/65/80/41/351658041.db2.gz HPXKLHHWGONBFD-GHMZBOCLSA-N 1 0 182.311 1.565 20 0 ADADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC1 86930529 351658083 /nfs/dbraw/zinc/65/80/83/351658083.db2.gz MNFAGGMZOIEBJO-ZYHUDNBSSA-N 1 0 194.322 1.565 20 0 ADADRO CCC[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 86930593 351658156 /nfs/dbraw/zinc/65/81/56/351658156.db2.gz WICWKBTZGPLIQS-NWDGAFQWSA-N 1 0 196.338 1.955 20 0 ADADRO C[NH2+][C@@H](CN1CCCCC1)C(C)C 87527761 351660148 /nfs/dbraw/zinc/66/01/48/351660148.db2.gz YSVRBEAADTYJNS-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CCN(CC)C[C@@H]([NH2+]C)C(C)C 87527454 351660165 /nfs/dbraw/zinc/66/01/65/351660165.db2.gz QCPYGCLQJCMNOG-SNVBAGLBSA-N 1 0 172.316 1.572 20 0 ADADRO CC(C)[C@H]1CNCC[N@@H+]1CCCF 88027269 351660571 /nfs/dbraw/zinc/66/05/71/351660571.db2.gz YVDFXJBBGNJBHA-SNVBAGLBSA-N 1 0 188.290 1.276 20 0 ADADRO C[C@@H]1C[NH2+]C[C@@H]1N1CCCCC1 89060625 351662052 /nfs/dbraw/zinc/66/20/52/351662052.db2.gz PPJUKDUGBVTGOQ-ZJUUUORDSA-N 1 0 168.284 1.080 20 0 ADADRO CCOc1cscc1C[NH3+] 90394374 351664805 /nfs/dbraw/zinc/66/48/05/351664805.db2.gz KJYSNZOOPPZLKG-UHFFFAOYSA-N 1 0 157.238 1.606 20 0 ADADRO CCOc1ccsc1C[NH3+] 90394360 351664849 /nfs/dbraw/zinc/66/48/49/351664849.db2.gz XPCJUTOFEMMHQW-UHFFFAOYSA-N 1 0 157.238 1.606 20 0 ADADRO c1cc2c(s1)CCN1CC[NH2+]C[C@H]21 90394310 351665086 /nfs/dbraw/zinc/66/50/86/351665086.db2.gz NLRRDRKYIZDCSD-SECBINFHSA-N 1 0 194.303 1.251 20 0 ADADRO c1cc2c(s1)CCN1CC[NH2+]C[C@@H]21 90394308 351665492 /nfs/dbraw/zinc/66/54/92/351665492.db2.gz NLRRDRKYIZDCSD-VIFPVBQESA-N 1 0 194.303 1.251 20 0 ADADRO C[C@@H](c1ccccn1)N1CC[C@@H]([NH3+])C1 95068266 351666164 /nfs/dbraw/zinc/66/61/64/351666164.db2.gz HNBRKLFRSDANRY-VHSXEESVSA-N 1 0 191.278 1.176 20 0 ADADRO OC[C@@H]1CCC[N@@H+]1Cc1cncs1 95078634 351666917 /nfs/dbraw/zinc/66/69/17/351666917.db2.gz JTUKSSHPHIDNAP-QMMMGPOBSA-N 1 0 198.291 1.100 20 0 ADADRO OC[C@H]1CCC[N@@H+]1Cc1cncs1 95078633 351667169 /nfs/dbraw/zinc/66/71/69/351667169.db2.gz JTUKSSHPHIDNAP-MRVPVSSYSA-N 1 0 198.291 1.100 20 0 ADADRO C[C@@H]1COCC[C@@H]1[NH2+]C1CC1 95091022 351667774 /nfs/dbraw/zinc/66/77/74/351667774.db2.gz PNNQJYMPQQBYHP-APPZFPTMSA-N 1 0 155.241 1.163 20 0 ADADRO c1cn(C2CC2)c(C[NH2+]C2CC2)n1 95080929 351667940 /nfs/dbraw/zinc/66/79/40/351667940.db2.gz WISYKHRIIVOZMX-UHFFFAOYSA-N 1 0 177.251 1.470 20 0 ADADRO c1ncc(COC[C@H]2CCC[NH2+]2)s1 95092695 351668911 /nfs/dbraw/zinc/66/89/11/351668911.db2.gz OIPRLPOTLWPXTO-MRVPVSSYSA-N 1 0 198.291 1.412 20 0 ADADRO c1ncc(COC[C@@H]2CC[NH2+]C2)s1 95092696 351668991 /nfs/dbraw/zinc/66/89/91/351668991.db2.gz GMZDGFCYASUNRE-MRVPVSSYSA-N 1 0 198.291 1.269 20 0 ADADRO c1ncc(CO[C@H]2CC[NH2+]C2)s1 95092661 351669321 /nfs/dbraw/zinc/66/93/21/351669321.db2.gz ILCZWHMQUVKOCA-ZETCQYMHSA-N 1 0 184.264 1.022 20 0 ADADRO c1ncc(COC[C@H]2CC[NH2+]C2)s1 95092697 351669328 /nfs/dbraw/zinc/66/93/28/351669328.db2.gz GMZDGFCYASUNRE-QMMMGPOBSA-N 1 0 198.291 1.269 20 0 ADADRO c1ncc(COC2CC[NH2+]CC2)s1 95092692 351669387 /nfs/dbraw/zinc/66/93/87/351669387.db2.gz CEZPZGWRCXHPDY-UHFFFAOYSA-N 1 0 198.291 1.412 20 0 ADADRO c1ncc(COC[C@@H]2CCC[NH2+]2)s1 95092694 351669414 /nfs/dbraw/zinc/66/94/14/351669414.db2.gz OIPRLPOTLWPXTO-QMMMGPOBSA-N 1 0 198.291 1.412 20 0 ADADRO CCOc1ccnc2c1CCC[C@@H]2[NH3+] 95221068 351670021 /nfs/dbraw/zinc/67/00/21/351670021.db2.gz HXRVJXAEXROYCL-VIFPVBQESA-N 1 0 192.262 1.816 20 0 ADADRO CCOc1ccnc2c1CCC[C@H]2[NH3+] 95221070 351670460 /nfs/dbraw/zinc/67/04/60/351670460.db2.gz HXRVJXAEXROYCL-SECBINFHSA-N 1 0 192.262 1.816 20 0 ADADRO C[C@@H]1c2cccn2CC[N@H+]1CCCO 95620295 351670879 /nfs/dbraw/zinc/67/08/79/351670879.db2.gz KNEUOLJQMOYIHE-SNVBAGLBSA-N 1 0 194.278 1.247 20 0 ADADRO [NH3+][C@H]1COc2cc(F)c(F)cc21 95636650 351671103 /nfs/dbraw/zinc/67/11/03/351671103.db2.gz NKOQNQIOPYUDTK-ZETCQYMHSA-N 1 0 171.146 1.357 20 0 ADADRO c1coc(C[NH+]2CCCC2)c1 95620542 351671141 /nfs/dbraw/zinc/67/11/41/351671141.db2.gz OTCUCAGXTNHLEI-UHFFFAOYSA-N 1 0 151.209 1.875 20 0 endogenous,in-man ADADRO c1ccc(-n2ncc3c2C[NH2+]CC3)cc1 95705173 351672064 /nfs/dbraw/zinc/67/20/64/351672064.db2.gz CLJFBQFORGCVGB-UHFFFAOYSA-N 1 0 199.257 1.518 20 0 ADADRO CC(C)([NH3+])CNc1ccccn1 95936704 351677061 /nfs/dbraw/zinc/67/70/61/351677061.db2.gz RBXJBEYTKAFNNT-UHFFFAOYSA-N 1 0 165.240 1.231 20 0 ADADRO CC(C)([NH3+])CNCc1ccc(F)cc1 95936717 351677443 /nfs/dbraw/zinc/67/74/43/351677443.db2.gz ZSNOMEIZMNYZAA-UHFFFAOYSA-N 1 0 196.269 1.653 20 0 ADADRO CC(C)([NH3+])CCOC(F)F 95946484 351677489 /nfs/dbraw/zinc/67/74/89/351677489.db2.gz 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259186098 351871206 /nfs/dbraw/zinc/87/12/06/351871206.db2.gz WIJTVCRVUOGPFZ-QWRGUYRKSA-N 1 0 194.278 1.557 20 0 ADADRO CC(C)([NH3+])CN1CCC(F)(F)CC1 259378208 351873882 /nfs/dbraw/zinc/87/38/82/351873882.db2.gz GTJAZDWCFFXCKS-UHFFFAOYSA-N 1 0 192.253 1.455 20 0 ADADRO C1CCC([NH2+]C2CSC2)C1 259451808 351874743 /nfs/dbraw/zinc/87/47/43/351874743.db2.gz VLCILUDSVDBDKQ-UHFFFAOYSA-N 1 0 157.282 1.634 20 0 ADADRO CC(=O)C[C@@H]1CCCC[C@H]1[NH3+] 259459521 351875185 /nfs/dbraw/zinc/87/51/85/351875185.db2.gz VXVUECOAAPGHNR-DTWKUNHWSA-N 1 0 155.241 1.483 20 0 ADADRO CC(=O)C[C@H]1CCCC[C@@H]1[NH3+] 259459518 351875251 /nfs/dbraw/zinc/87/52/51/351875251.db2.gz VXVUECOAAPGHNR-BDAKNGLRSA-N 1 0 155.241 1.483 20 0 ADADRO CC(=O)C[C@H]1CCCC[C@H]1[NH3+] 259459525 351875292 /nfs/dbraw/zinc/87/52/92/351875292.db2.gz VXVUECOAAPGHNR-RKDXNWHRSA-N 1 0 155.241 1.483 20 0 ADADRO CC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] 259459523 351875368 /nfs/dbraw/zinc/87/53/68/351875368.db2.gz VXVUECOAAPGHNR-IUCAKERBSA-N 1 0 155.241 1.483 20 0 ADADRO C[C@H]([NH3+])CN1CCCC(F)(F)C1 259520998 351875893 /nfs/dbraw/zinc/87/58/93/351875893.db2.gz AGLOBFFUJXEWRQ-ZETCQYMHSA-N 1 0 178.226 1.065 20 0 ADADRO C[C@@H]([NH3+])CN1CCCC(F)(F)C1 259520991 351875898 /nfs/dbraw/zinc/87/58/98/351875898.db2.gz AGLOBFFUJXEWRQ-SSDOTTSWSA-N 1 0 178.226 1.065 20 0 ADADRO C[C@@H]([NH3+])CN1CCC(C)(F)CC1 259617101 351876580 /nfs/dbraw/zinc/87/65/80/351876580.db2.gz DXULPVIRVXGWIQ-MRVPVSSYSA-N 1 0 174.263 1.158 20 0 ADADRO C[C@H]([NH3+])CN1CCC(C)(F)CC1 259617123 351877053 /nfs/dbraw/zinc/87/70/53/351877053.db2.gz DXULPVIRVXGWIQ-QMMMGPOBSA-N 1 0 174.263 1.158 20 0 ADADRO C1COCC[C@H]([NH2+]C2CSC2)C1 259675019 351877504 /nfs/dbraw/zinc/87/75/04/351877504.db2.gz IRXJDINNTHVKQF-MRVPVSSYSA-N 1 0 187.308 1.261 20 0 ADADRO CC(C)([NH3+])CN1CCCC(F)(F)C1 259690778 351878100 /nfs/dbraw/zinc/87/81/00/351878100.db2.gz ZOPGQSIVZYMMLE-UHFFFAOYSA-N 1 0 192.253 1.455 20 0 ADADRO C[C@H]([NH3+])CN1CCCC(F)(F)CC1 259681223 351878351 /nfs/dbraw/zinc/87/83/51/351878351.db2.gz JGESUTMKOVFGCW-QMMMGPOBSA-N 1 0 192.253 1.455 20 0 ADADRO C[C@@H]([NH3+])CN1CCCC(F)(F)CC1 259681214 351878413 /nfs/dbraw/zinc/87/84/13/351878413.db2.gz JGESUTMKOVFGCW-MRVPVSSYSA-N 1 0 192.253 1.455 20 0 ADADRO CC1(c2nc(CC[NH3+])no2)CCC1 259717322 351878968 /nfs/dbraw/zinc/87/89/68/351878968.db2.gz LODNELMLFMPSJW-UHFFFAOYSA-N 1 0 181.239 1.012 20 0 ADADRO FC1(F)CCN(C[C@H]2CCC[NH2+]2)C1 259707547 351878450 /nfs/dbraw/zinc/87/84/50/351878450.db2.gz KWGARQNFGFYDGF-MRVPVSSYSA-N 1 0 190.237 1.079 20 0 ADADRO C1COCC[C@@H]([NH2+]C2CSC2)C1 259675026 351878483 /nfs/dbraw/zinc/87/84/83/351878483.db2.gz IRXJDINNTHVKQF-QMMMGPOBSA-N 1 0 187.308 1.261 20 0 ADADRO C[NH2+]CCCN1CCC(F)(F)CC1 259693383 351878499 /nfs/dbraw/zinc/87/84/99/351878499.db2.gz JYHSTFUQXDPAAW-UHFFFAOYSA-N 1 0 192.253 1.327 20 0 ADADRO CC1(C)CC([NH2+][C@H]2CCOC2)C1 259794160 351879602 /nfs/dbraw/zinc/87/96/02/351879602.db2.gz RMEDCKYBVRUYAQ-QMMMGPOBSA-N 1 0 169.268 1.554 20 0 ADADRO C1C[C@H]([NH2+]C2CSC2)CS1 259785345 351879531 /nfs/dbraw/zinc/87/95/31/351879531.db2.gz QUBQNGGTNNUOBP-LURJTMIESA-N 1 0 175.322 1.197 20 0 ADADRO CC1(c2nc([C@@H]3CCC[NH2+]3)no2)CC1 259761131 351879546 /nfs/dbraw/zinc/87/95/46/351879546.db2.gz PBMJVLFMVMTZLW-ZETCQYMHSA-N 1 0 193.250 1.546 20 0 ADADRO CC1(c2nc([C@H]3CCC[NH2+]3)no2)CC1 259761127 351879642 /nfs/dbraw/zinc/87/96/42/351879642.db2.gz PBMJVLFMVMTZLW-SSDOTTSWSA-N 1 0 193.250 1.546 20 0 ADADRO C1C[C@@H]([NH2+]C2CSC2)CS1 259785352 351879778 /nfs/dbraw/zinc/87/97/78/351879778.db2.gz QUBQNGGTNNUOBP-ZCFIWIBFSA-N 1 0 175.322 1.197 20 0 ADADRO CC1(C)CC([NH2+][C@@H]2CCOC2)C1 259794149 351879861 /nfs/dbraw/zinc/87/98/61/351879861.db2.gz RMEDCKYBVRUYAQ-MRVPVSSYSA-N 1 0 169.268 1.554 20 0 ADADRO CC1(C)CC([NH2+]C2CSC2)C1 259831252 351880309 /nfs/dbraw/zinc/88/03/09/351880309.db2.gz UXFSGXVVKMVMKG-UHFFFAOYSA-N 1 0 171.309 1.880 20 0 ADADRO CN1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 259878245 351881328 /nfs/dbraw/zinc/88/13/28/351881328.db2.gz YFPYMIRYOBDSPT-SECBINFHSA-N 1 0 182.311 1.469 20 0 ADADRO CN1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 259878258 351881337 /nfs/dbraw/zinc/88/13/37/351881337.db2.gz YFPYMIRYOBDSPT-VIFPVBQESA-N 1 0 182.311 1.469 20 0 ADADRO C1CC([NH2+]C2CSC2)CCS1 259850680 351881391 /nfs/dbraw/zinc/88/13/91/351881391.db2.gz WIWQWABEQLNALG-UHFFFAOYSA-N 1 0 189.349 1.587 20 0 ADADRO C[C@@H]1CC[N@H+](CCO)CC1(C)C 306549550 351944876 /nfs/dbraw/zinc/94/48/76/351944876.db2.gz QUDILYSEZQLFTQ-SECBINFHSA-N 1 0 171.284 1.347 20 0 ADADRO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2O)cc1 261508123 351891882 /nfs/dbraw/zinc/89/18/82/351891882.db2.gz PXCKCWCEMRICIK-QWRGUYRKSA-N 1 0 177.247 1.043 20 0 ADADRO Cc1ccc([C@@H]2C[NH2+]C[C@H]2O)cc1 261508124 351891888 /nfs/dbraw/zinc/89/18/88/351891888.db2.gz PXCKCWCEMRICIK-WDEREUQCSA-N 1 0 177.247 1.043 20 0 ADADRO CC1(C)C[C@@H]([NH3+])C(F)(F)C(C)(C)N1 261507550 351892055 /nfs/dbraw/zinc/89/20/55/351892055.db2.gz JSVNFWBDIRGOPP-ZCFIWIBFSA-N 1 0 192.253 1.500 20 0 ADADRO CC1(C)C[C@H]([NH3+])C(F)(F)C(C)(C)N1 261507549 351892104 /nfs/dbraw/zinc/89/21/04/351892104.db2.gz JSVNFWBDIRGOPP-LURJTMIESA-N 1 0 192.253 1.500 20 0 ADADRO CC(C)C[N@@H+]1CC[C@H](C)[C@H](O)C1 299891430 351893172 /nfs/dbraw/zinc/89/31/72/351893172.db2.gz RTAJYRDCLYNMIX-VHSXEESVSA-N 1 0 171.284 1.345 20 0 ADADRO C[C@@H]1C[NH2+][C@@H](C)[C@H]1C 299805625 351892778 /nfs/dbraw/zinc/89/27/78/351892778.db2.gz YFZJBYQBYKUDMK-VQVTYTSYSA-N 1 0 113.204 1.250 20 0 ADADRO C[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1O 299890960 351893211 /nfs/dbraw/zinc/89/32/11/351893211.db2.gz BOOADMCQVUOKPD-CMPLNLGQSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@@H]1CC[N@@H+](C2CCCC2)C[C@H]1O 299891024 351893276 /nfs/dbraw/zinc/89/32/76/351893276.db2.gz DENZWQOXEHTETE-MWLCHTKSSA-N 1 0 183.295 1.632 20 0 ADADRO C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O 299891267 351893377 /nfs/dbraw/zinc/89/33/77/351893377.db2.gz LJZBDPKZUWEEJX-GXSJLCMTSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@H]1CC[N@@H+](C2CCCC2)C[C@H]1O 299891023 351893400 /nfs/dbraw/zinc/89/34/00/351893400.db2.gz DENZWQOXEHTETE-GXSJLCMTSA-N 1 0 183.295 1.632 20 0 ADADRO CCC[N@@H+]1CC[C@H](C)[C@H](O)C1 299891392 351893404 /nfs/dbraw/zinc/89/34/04/351893404.db2.gz QQFOZEVRWHVVRI-DTWKUNHWSA-N 1 0 157.257 1.099 20 0 ADADRO C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O 299891268 351893409 /nfs/dbraw/zinc/89/34/09/351893409.db2.gz LJZBDPKZUWEEJX-MWLCHTKSSA-N 1 0 183.295 1.489 20 0 ADADRO CCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891393 351893452 /nfs/dbraw/zinc/89/34/52/351893452.db2.gz QQFOZEVRWHVVRI-RKDXNWHRSA-N 1 0 157.257 1.099 20 0 ADADRO CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](O)C1 299891388 351893458 /nfs/dbraw/zinc/89/34/58/351893458.db2.gz QPVJNPNZZARMHJ-GHMZBOCLSA-N 1 0 183.295 1.655 20 0 ADADRO CC(C)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891429 351893465 /nfs/dbraw/zinc/89/34/65/351893465.db2.gz RTAJYRDCLYNMIX-NXEZZACHSA-N 1 0 171.284 1.345 20 0 ADADRO C[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O 299891316 351893475 /nfs/dbraw/zinc/89/34/75/351893475.db2.gz NHSHTBMYOVJEPX-MWLCHTKSSA-N 1 0 183.295 1.489 20 0 ADADRO C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O 299890968 351893481 /nfs/dbraw/zinc/89/34/81/351893481.db2.gz BSDGMCDHWDVNKE-PSASIEDQSA-N 1 0 169.268 1.099 20 0 ADADRO C[C@H]1CC[N@H+](CCCF)C[C@H]1O 299891253 351893486 /nfs/dbraw/zinc/89/34/86/351893486.db2.gz LAPOSNFFJIHATL-DTWKUNHWSA-N 1 0 175.247 1.049 20 0 ADADRO C[C@@H]1C[N@@H+](C2CCCC2)C[C@H](CO)O1 299901216 351893678 /nfs/dbraw/zinc/89/36/78/351893678.db2.gz AWMCJFBSOVQSKW-MWLCHTKSSA-N 1 0 199.294 1.011 20 0 ADADRO CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](O)C1 299908277 351893764 /nfs/dbraw/zinc/89/37/64/351893764.db2.gz UKZDQZQLHRPHAS-GHMZBOCLSA-N 1 0 185.311 1.735 20 0 ADADRO C[C@@H]1CC[N@H+](Cc2ccco2)C[C@H]1O 299911008 351893824 /nfs/dbraw/zinc/89/38/24/351893824.db2.gz MNOQRZOIEHPLJQ-MWLCHTKSSA-N 1 0 195.262 1.482 20 0 ADADRO CC(C)=CC[N@H+]1CC[C@H](C)[C@H]1CO 299914094 351893868 /nfs/dbraw/zinc/89/38/68/351893868.db2.gz RRNJTXJEUDPUKB-WDEREUQCSA-N 1 0 183.295 1.655 20 0 ADADRO CC(C)[N@@H+]1CC[C@H](C)[C@H](O)C1 299891598 351893879 /nfs/dbraw/zinc/89/38/79/351893879.db2.gz WQRWSCVRFNIQRW-DTWKUNHWSA-N 1 0 157.257 1.098 20 0 ADADRO CC(C)C[N@@H+]1CC[C@@H](C)[C@H]1CO 299960741 351893983 /nfs/dbraw/zinc/89/39/83/351893983.db2.gz JVIKJQGPALDWSF-NXEZZACHSA-N 1 0 171.284 1.345 20 0 ADADRO CC(C)CN1CCC[C@H]2C[NH2+]C[C@H]21 299894614 351893998 /nfs/dbraw/zinc/89/39/98/351893998.db2.gz YHLGRYUUHDOSJZ-WDEREUQCSA-N 1 0 182.311 1.326 20 0 ADADRO CC(C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891599 351894037 /nfs/dbraw/zinc/89/40/37/351894037.db2.gz WQRWSCVRFNIQRW-RKDXNWHRSA-N 1 0 157.257 1.098 20 0 ADADRO CCCCN1CCC[C@H]2C[NH2+]C[C@H]21 299894717 351894061 /nfs/dbraw/zinc/89/40/61/351894061.db2.gz ZNZCJDQBXSNGQP-WDEREUQCSA-N 1 0 182.311 1.470 20 0 ADADRO CC(C)=CC[N@H+]1CC[C@@H](C)[C@H]1CO 299914093 351894158 /nfs/dbraw/zinc/89/41/58/351894158.db2.gz RRNJTXJEUDPUKB-GHMZBOCLSA-N 1 0 183.295 1.655 20 0 ADADRO CCCC[N@@H+]1CC[C@H](C)[C@H](O)C1 299891464 351894163 /nfs/dbraw/zinc/89/41/63/351894163.db2.gz UHIVTMYXXMLXDB-VHSXEESVSA-N 1 0 171.284 1.489 20 0 ADADRO C[C@@H]1CC[N@H+](CC2CC2)[C@H]1CO 299907170 351894192 /nfs/dbraw/zinc/89/41/92/351894192.db2.gz GWBZOUUVAAUVIH-SCZZXKLOSA-N 1 0 169.268 1.099 20 0 ADADRO CCCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 299891463 351894224 /nfs/dbraw/zinc/89/42/24/351894224.db2.gz UHIVTMYXXMLXDB-NXEZZACHSA-N 1 0 171.284 1.489 20 0 ADADRO C[C@H]1CC[N@H+](Cc2ccco2)[C@H]1CO 299912256 351894267 /nfs/dbraw/zinc/89/42/67/351894267.db2.gz OYHKAKGRCKIQIL-ONGXEEELSA-N 1 0 195.262 1.482 20 0 ADADRO C[C@@H]1CC[N@H+](Cc2ccco2)[C@H]1CO 299912255 351894271 /nfs/dbraw/zinc/89/42/71/351894271.db2.gz OYHKAKGRCKIQIL-KOLCDFICSA-N 1 0 195.262 1.482 20 0 ADADRO C[C@H]1CC[N@H+](CC2CCCC2)[C@H]1CO 299910160 351894321 /nfs/dbraw/zinc/89/43/21/351894321.db2.gz LKZKCMQLUSJVRW-JQWIXIFHSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@@H]1CC[N@H+](CC2CCC2)[C@H]1CO 299916279 351894324 /nfs/dbraw/zinc/89/43/24/351894324.db2.gz WBWCXBZESVFCIB-KOLCDFICSA-N 1 0 183.295 1.489 20 0 ADADRO CC(C)C[N@@H+]1CC[C@H](C)[C@H]1CO 299960743 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183.295 1.897 20 0 ADADRO O[C@H]1CCC[N@@H+](C2CCCC2)CC1 307150323 351990688 /nfs/dbraw/zinc/99/06/88/351990688.db2.gz UCYYVFGSNKFZHL-NSHDSACASA-N 1 0 183.295 1.776 20 0 ADADRO C[C@@H]1C[N@H+](CCCF)CCO1 307152294 351990714 /nfs/dbraw/zinc/99/07/14/351990714.db2.gz XQDLHQXAXIHFFM-MRVPVSSYSA-N 1 0 161.220 1.067 20 0 ADADRO O[C@@H]1CCC[N@@H+](C2CCCC2)CC1 307150322 351990767 /nfs/dbraw/zinc/99/07/67/351990767.db2.gz UCYYVFGSNKFZHL-LLVKDONJSA-N 1 0 183.295 1.776 20 0 ADADRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC1CC1 307166743 351991998 /nfs/dbraw/zinc/99/19/98/351991998.db2.gz PTKOIDUCISGSCN-SCZZXKLOSA-N 1 0 169.268 1.099 20 0 ADADRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC1CC1 307166742 351992088 /nfs/dbraw/zinc/99/20/88/351992088.db2.gz PTKOIDUCISGSCN-PSASIEDQSA-N 1 0 169.268 1.099 20 0 ADADRO C[C@@H]1CC[N@H+](CCCO)CCS1 307169047 351992094 /nfs/dbraw/zinc/99/20/94/351992094.db2.gz WWAAZGWQMGZNID-SECBINFHSA-N 1 0 189.324 1.196 20 0 ADADRO CC(C)=CC[N@@H+]1C[C@@H](O)C(C)(C)C1 307178458 351992321 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WFXCACOMUZDJNO-MNOVXSKESA-N 1 0 185.311 1.878 20 0 ADADRO CC(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO 336552337 352145758 /nfs/dbraw/zinc/14/57/58/352145758.db2.gz JJOLFPNPEWJKTD-MNOVXSKESA-N 1 0 185.311 1.735 20 0 ADADRO CC(C)C[N@@H+]1CCCO[C@@H](C)C1 336552383 352145760 /nfs/dbraw/zinc/14/57/60/352145760.db2.gz ZJBFJVUQZOWVPY-JTQLQIEISA-N 1 0 171.284 1.753 20 0 ADADRO CC(C)C[N@H+](C)[C@H]1CCOC1 336553374 352146186 /nfs/dbraw/zinc/14/61/86/352146186.db2.gz TZELNFPAZJYRBE-VIFPVBQESA-N 1 0 157.257 1.363 20 0 ADADRO CC(C)C[N@H+](C)[C@@H]1CCOC1 336553373 352146298 /nfs/dbraw/zinc/14/62/98/352146298.db2.gz TZELNFPAZJYRBE-SECBINFHSA-N 1 0 157.257 1.363 20 0 ADADRO CC(C)C[N@@H+]1CCN(C)C[C@@H]1C(C)C 336553116 352146323 /nfs/dbraw/zinc/14/63/23/352146323.db2.gz XRFRLDYRKPUNDJ-GFCCVEGCSA-N 1 0 198.354 1.914 20 0 ADADRO CC(C)C[N@@H+]1CCN(C)C[C@@H]1C 336553118 352146363 /nfs/dbraw/zinc/14/63/63/352146363.db2.gz ZRSYQGNDJVTJPW-JTQLQIEISA-N 1 0 170.300 1.278 20 0 ADADRO C[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 336553797 352146558 /nfs/dbraw/zinc/14/65/58/352146558.db2.gz AEEKOJCCTWSSHE-SECBINFHSA-N 1 0 179.267 1.262 20 0 ADADRO CC(C)C[N@@H+]1CCOCC12CCC2 336553232 352146634 /nfs/dbraw/zinc/14/66/34/352146634.db2.gz BSMBHPFULKDAPZ-UHFFFAOYSA-N 1 0 183.295 1.897 20 0 ADADRO CC(C)C[N@@H+]1CCC[C@H]1C(C)(C)O 336553371 352146641 /nfs/dbraw/zinc/14/66/41/352146641.db2.gz SXTCVYOGAXRYOI-JTQLQIEISA-N 1 0 185.311 1.878 20 0 ADADRO CC(C)C[N@@H+]1CCC[C@@H]1C(C)(C)O 336553372 352146647 /nfs/dbraw/zinc/14/66/47/352146647.db2.gz SXTCVYOGAXRYOI-SNVBAGLBSA-N 1 0 185.311 1.878 20 0 ADADRO CC(C)C[N@@H+]1CCN(C)C[C@H]1C(C)C 336553117 352146738 /nfs/dbraw/zinc/14/67/38/352146738.db2.gz XRFRLDYRKPUNDJ-LBPRGKRZSA-N 1 0 198.354 1.914 20 0 ADADRO C[C@@H]1CC[N@H+](Cc2nccn2C)C1 336553848 352147057 /nfs/dbraw/zinc/14/70/57/352147057.db2.gz OOIVXMLMCBYVKO-SECBINFHSA-N 1 0 179.267 1.262 20 0 ADADRO C[C@@H]1CCC[N@@H+]1CCc1cnn(C)c1 336554970 352147111 /nfs/dbraw/zinc/14/71/11/352147111.db2.gz SOUCKDMGYWYRQH-SNVBAGLBSA-N 1 0 193.294 1.447 20 0 ADADRO C[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 336555709 352147368 /nfs/dbraw/zinc/14/73/68/352147368.db2.gz AGINGBPMMDUEEP-ZJUUUORDSA-N 1 0 169.268 1.507 20 0 ADADRO C[C@@H]1CSCC[N@@H+]1CC1CC1 336554775 352147379 /nfs/dbraw/zinc/14/73/79/352147379.db2.gz LXYTWVFLOCZCKM-MRVPVSSYSA-N 1 0 171.309 1.834 20 0 ADADRO C[C@@H]1CCCC[N@@H+]1CCn1ccnc1 336555678 352147414 /nfs/dbraw/zinc/14/74/14/352147414.db2.gz TXKKXHFIPOHVJR-LLVKDONJSA-N 1 0 193.294 1.758 20 0 ADADRO C[C@@H]1CCC[N@@H+]1C[C@H]1CCOC1 336555706 352147431 /nfs/dbraw/zinc/14/74/31/352147431.db2.gz AGINGBPMMDUEEP-NXEZZACHSA-N 1 0 169.268 1.507 20 0 ADADRO C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 336555734 352147550 /nfs/dbraw/zinc/14/75/50/352147550.db2.gz HSNJRXOPNBPGDC-ZJUUUORDSA-N 1 0 169.268 1.507 20 0 ADADRO C[C@@H]1CC[N@H+](CCn2ccnc2)[C@@H]1C 336554077 352147576 /nfs/dbraw/zinc/14/75/76/352147576.db2.gz NKLZKUXGFWMLGP-GHMZBOCLSA-N 1 0 193.294 1.613 20 0 ADADRO C[C@@H]1C[N@H+](CC2CC2)CCS1 336554805 352147596 /nfs/dbraw/zinc/14/75/96/352147596.db2.gz STRZKBOQPNDMRS-MRVPVSSYSA-N 1 0 171.309 1.834 20 0 ADADRO C[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1C 336554777 352147671 /nfs/dbraw/zinc/14/76/71/352147671.db2.gz MGHKCMKPSUWLJQ-DTORHVGOSA-N 1 0 153.269 1.984 20 0 ADADRO C[C@@H]1C[N@H+](CC2CC2)CCCO1 336555714 352147715 /nfs/dbraw/zinc/14/77/15/352147715.db2.gz AYBUJBALFVWFMQ-SECBINFHSA-N 1 0 169.268 1.507 20 0 ADADRO C[C@@H]1CCCC[N@@H+]1Cc1cncn1C 336554849 352147745 /nfs/dbraw/zinc/14/77/45/352147745.db2.gz GCROGDAOMUTWNH-SNVBAGLBSA-N 1 0 193.294 1.795 20 0 ADADRO C[C@@H]1C[C@@H](C)C[NH+](CC2(O)CCC2)C1 336555695 352147764 /nfs/dbraw/zinc/14/77/64/352147764.db2.gz XPKNWRXSOLPXND-GHMZBOCLSA-N 1 0 197.322 1.879 20 0 ADADRO C[C@@H]1COC[C@@H](C)[NH+]1CC1CC1 336555737 352147990 /nfs/dbraw/zinc/14/79/90/352147990.db2.gz ISBIIQTUILKJBC-RKDXNWHRSA-N 1 0 169.268 1.506 20 0 ADADRO C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@@H]1C 336556175 352148099 /nfs/dbraw/zinc/14/80/99/352148099.db2.gz URVKGXIFWGZREG-AOOOYVTPSA-N 1 0 193.294 1.508 20 0 ADADRO C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 336555750 352148152 /nfs/dbraw/zinc/14/81/52/352148152.db2.gz MICKTFOJLHXDFB-ZJUUUORDSA-N 1 0 169.268 1.650 20 0 ADADRO C[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1C 336556100 352148167 /nfs/dbraw/zinc/14/81/67/352148167.db2.gz CZWMCVRPGLZOQT-AOOOYVTPSA-N 1 0 193.294 1.508 20 0 ADADRO C[C@@H]1C[C@@H]1C[N@@H+]1CCOCC12CCC2 336568378 352148353 /nfs/dbraw/zinc/14/83/53/352148353.db2.gz JNWXTSXKQBUUIW-GHMZBOCLSA-N 1 0 195.306 1.897 20 0 ADADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(C)c2)C1 336556163 352148398 /nfs/dbraw/zinc/14/83/98/352148398.db2.gz RZJPBIRJTZIWMD-NXEZZACHSA-N 1 0 193.294 1.650 20 0 ADADRO C[C@@H](c1nncn1C)[N@@H+]1CC[C@@H](C)C1 336573741 352148431 /nfs/dbraw/zinc/14/84/31/352148431.db2.gz WIEDIHBZGMNHDM-BDAKNGLRSA-N 1 0 194.282 1.218 20 0 ADADRO C[C@@H]1CC[N@@H+]([C@H](C)c2nncn2C)C1 336573747 352148487 /nfs/dbraw/zinc/14/84/87/352148487.db2.gz WIEDIHBZGMNHDM-RKDXNWHRSA-N 1 0 194.282 1.218 20 0 ADADRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ncnn2C)C1 336556108 352148511 /nfs/dbraw/zinc/14/85/11/352148511.db2.gz DKINKGBDNABNRQ-RKDXNWHRSA-N 1 0 194.282 1.045 20 0 ADADRO C[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1C 336556101 352148522 /nfs/dbraw/zinc/14/85/22/352148522.db2.gz CZWMCVRPGLZOQT-NXEZZACHSA-N 1 0 193.294 1.508 20 0 ADADRO C[C@@H]1C[NH+](Cc2nccn2C)C[C@H]1C 336556176 352148571 /nfs/dbraw/zinc/14/85/71/352148571.db2.gz URVKGXIFWGZREG-NXEZZACHSA-N 1 0 193.294 1.508 20 0 ADADRO C[C@@H]1C[C@H]1C[N@@H+]1CCOCC12CCC2 336568379 352148755 /nfs/dbraw/zinc/14/87/55/352148755.db2.gz JNWXTSXKQBUUIW-MNOVXSKESA-N 1 0 195.306 1.897 20 0 ADADRO C[C@@H]1CCCCN(C(=O)C[NH+](C)C)C1 336568723 352148771 /nfs/dbraw/zinc/14/87/71/352148771.db2.gz WIPDIRYVBOHCNY-SNVBAGLBSA-N 1 0 198.310 1.197 20 0 ADADRO c1nn[nH]c1C[N@H+]1C[C@H]2CCC[C@H]2C1 336575765 352149146 /nfs/dbraw/zinc/14/91/46/352149146.db2.gz YIMYJEUGKLLZNC-DTORHVGOSA-N 1 0 192.266 1.037 20 0 ADADRO c1nn[nH]c1C[NH+]1C[C@H]2CCC[C@@H]2C1 336575767 352149302 /nfs/dbraw/zinc/14/93/02/352149302.db2.gz YIMYJEUGKLLZNC-RKDXNWHRSA-N 1 0 192.266 1.037 20 0 ADADRO c1nn[nH]c1C[NH+]1C[C@@H]2CCC[C@H]2C1 336575766 352149361 /nfs/dbraw/zinc/14/93/61/352149361.db2.gz YIMYJEUGKLLZNC-IUCAKERBSA-N 1 0 192.266 1.037 20 0 ADADRO OCC[N@@H+]1CCc2cc(F)ccc2C1 336587566 352149719 /nfs/dbraw/zinc/14/97/19/352149719.db2.gz RCOBQZJSANBRCQ-UHFFFAOYSA-N 1 0 195.237 1.176 20 0 ADADRO OCC[N@@H+]1CCC[C@H]1c1ccsc1 336612884 352150093 /nfs/dbraw/zinc/15/00/93/352150093.db2.gz TZZUSFARIRJKJW-JTQLQIEISA-N 1 0 197.303 1.877 20 0 ADADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1COCCO1 336594569 352150152 /nfs/dbraw/zinc/15/01/52/352150152.db2.gz PJBHCNSYGCPWNR-MNOVXSKESA-N 1 0 199.294 1.276 20 0 ADADRO CC(C)C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C 336595333 352150201 /nfs/dbraw/zinc/15/02/01/352150201.db2.gz WBIREVAACJOQOU-RYUDHWBXSA-N 1 0 198.354 1.914 20 0 ADADRO OCC[N@@H+]1CCC[C@@H]1c1ccsc1 336612885 352150278 /nfs/dbraw/zinc/15/02/78/352150278.db2.gz TZZUSFARIRJKJW-SNVBAGLBSA-N 1 0 197.303 1.877 20 0 ADADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1COCCO1 336594568 352150410 /nfs/dbraw/zinc/15/04/10/352150410.db2.gz PJBHCNSYGCPWNR-GHMZBOCLSA-N 1 0 199.294 1.276 20 0 ADADRO C[C@@H]1C[N@@H+](C2CCCC2)C[C@@H]1N(C)C 336595202 352150440 /nfs/dbraw/zinc/15/04/40/352150440.db2.gz DIVFDKOYCIHVCD-PWSUYJOCSA-N 1 0 196.338 1.811 20 0 ADADRO C[C@@H]1CN(CC(N)=O)C[C@H](C2CC2)O1 336611900 352150467 /nfs/dbraw/zinc/15/04/67/352150467.db2.gz PCRDOYTVHUDYKD-VXNVDRBHSA-N 1 0 198.266 1.021 20 0 ADADRO C[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 336594578 352150516 /nfs/dbraw/zinc/15/05/16/352150516.db2.gz UCFPGXNJEPJKNC-SNVBAGLBSA-N 1 0 193.294 1.795 20 0 ADADRO CC(C)C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C 336595334 352150532 /nfs/dbraw/zinc/15/05/32/352150532.db2.gz WBIREVAACJOQOU-VXGBXAGGSA-N 1 0 198.354 1.914 20 0 ADADRO C[C@@H]1CCC[N@H+](CCn2cncn2)C1 336594562 352150562 /nfs/dbraw/zinc/15/05/62/352150562.db2.gz MTLBAFYWMCZIQO-SNVBAGLBSA-N 1 0 194.282 1.010 20 0 ADADRO CC(C)C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C 336595332 352150569 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181.279 1.862 20 0 ADADRO CC1(C)OCC[C@H]1[NH2+][C@@H]1C=CCC1 575499463 352401448 /nfs/dbraw/zinc/40/14/48/352401448.db2.gz IKGQPYOGOZKHII-NXEZZACHSA-N 1 0 181.279 1.862 20 0 ADADRO C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)[C@@H](C)O1 575499544 352401545 /nfs/dbraw/zinc/40/15/45/352401545.db2.gz JSOUECKXVNXMHI-ZNSHCXBVSA-N 1 0 181.279 1.861 20 0 ADADRO CC1(C)OCC[C@H]1[NH2+][C@H]1C=CCC1 575499465 352401559 /nfs/dbraw/zinc/40/15/59/352401559.db2.gz IKGQPYOGOZKHII-VHSXEESVSA-N 1 0 181.279 1.862 20 0 ADADRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C=CCC1 575499747 352403062 /nfs/dbraw/zinc/40/30/62/352403062.db2.gz MIEWMCLGAOBQCH-MXWKQRLJSA-N 1 0 181.279 1.720 20 0 ADADRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1C=CCC1 575499751 352403089 /nfs/dbraw/zinc/40/30/89/352403089.db2.gz MIEWMCLGAOBQCH-OUAUKWLOSA-N 1 0 181.279 1.720 20 0 ADADRO C1CC2(C1)CC([NH2+][C@H]1CCOC1)C2 575499705 352403104 /nfs/dbraw/zinc/40/31/04/352403104.db2.gz CAZLWUBRSAVVQU-VIFPVBQESA-N 1 0 181.279 1.698 20 0 ADADRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C=CCC1 575499745 352403116 /nfs/dbraw/zinc/40/31/16/352403116.db2.gz MIEWMCLGAOBQCH-GMTAPVOTSA-N 1 0 181.279 1.720 20 0 ADADRO C1CC2(C1)CC([NH2+][C@@H]1CCOC1)C2 575499703 352403244 /nfs/dbraw/zinc/40/32/44/352403244.db2.gz CAZLWUBRSAVVQU-SECBINFHSA-N 1 0 181.279 1.698 20 0 ADADRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C=CCC1 575499757 352403258 /nfs/dbraw/zinc/40/32/58/352403258.db2.gz MIEWMCLGAOBQCH-VWYCJHECSA-N 1 0 181.279 1.720 20 0 ADADRO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C=CCC1 575499800 352403618 /nfs/dbraw/zinc/40/36/18/352403618.db2.gz NDYHEMHACKIVSM-AXFHLTTASA-N 1 0 180.295 1.435 20 0 ADADRO C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)CO1 575500160 352405177 /nfs/dbraw/zinc/40/51/77/352405177.db2.gz PKSJLXRDFZFIIJ-UTLUCORTSA-N 1 0 167.252 1.472 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)CO1 575500158 352405257 /nfs/dbraw/zinc/40/52/57/352405257.db2.gz PKSJLXRDFZFIIJ-KXUCPTDWSA-N 1 0 167.252 1.472 20 0 ADADRO C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)CO1 575500154 352405326 /nfs/dbraw/zinc/40/53/26/352405326.db2.gz PKSJLXRDFZFIIJ-BBBLOLIVSA-N 1 0 167.252 1.472 20 0 ADADRO C1=C[C@@H]([NH2+][C@@H]2CCCOCC2)CC1 575500164 352405469 /nfs/dbraw/zinc/40/54/69/352405469.db2.gz PPIJQIVCMSCKCH-GHMZBOCLSA-N 1 0 181.279 1.864 20 0 ADADRO C1=C[C@H]([NH2+][C@@H]2CCCOCC2)CC1 575500179 352405557 /nfs/dbraw/zinc/40/55/57/352405557.db2.gz PPIJQIVCMSCKCH-WDEREUQCSA-N 1 0 181.279 1.864 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)CO1 575500159 352405582 /nfs/dbraw/zinc/40/55/82/352405582.db2.gz PKSJLXRDFZFIIJ-OPRDCNLKSA-N 1 0 167.252 1.472 20 0 ADADRO C1=C[C@H]([NH2+][C@H]2CCCOCC2)CC1 575500177 352405642 /nfs/dbraw/zinc/40/56/42/352405642.db2.gz PPIJQIVCMSCKCH-QWRGUYRKSA-N 1 0 181.279 1.864 20 0 ADADRO C1=C[C@@H]([NH2+][C@H]2CCCOCC2)CC1 575500175 352405651 /nfs/dbraw/zinc/40/56/51/352405651.db2.gz PPIJQIVCMSCKCH-MNOVXSKESA-N 1 0 181.279 1.864 20 0 ADADRO C1=C[C@@H](N[C@H]2CCC[NH2+]C2)CC1 575500689 352407968 /nfs/dbraw/zinc/40/79/68/352407968.db2.gz 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C1=C[C@@H]([NH2+][C@H]2CCSC2)CC1 575501515 352412730 /nfs/dbraw/zinc/41/27/30/352412730.db2.gz MNJAAFOCAQCUEO-BDAKNGLRSA-N 1 0 169.293 1.800 20 0 ADADRO C1=C[C@H]([NH2+][C@@H]2CCSC2)CC1 575501516 352412743 /nfs/dbraw/zinc/41/27/43/352412743.db2.gz MNJAAFOCAQCUEO-DTWKUNHWSA-N 1 0 169.293 1.800 20 0 ADADRO C1=C[C@@H]([NH2+][C@@H]2CCSC2)CC1 575501518 352412905 /nfs/dbraw/zinc/41/29/05/352412905.db2.gz MNJAAFOCAQCUEO-RKDXNWHRSA-N 1 0 169.293 1.800 20 0 ADADRO C1C[C@@H]2C[C@@H]2[C@H]([NH2+]C2CSC2)C1 575502378 352417059 /nfs/dbraw/zinc/41/70/59/352417059.db2.gz WIVIQBKVPYDVAK-FKTZTGRPSA-N 1 0 183.320 1.880 20 0 ADADRO C1C[C@H]([NH2+]C2CSC2)[C@H]2C[C@H]2C1 575502379 352417758 /nfs/dbraw/zinc/41/77/58/352417758.db2.gz WIVIQBKVPYDVAK-JEZHCXPESA-N 1 0 183.320 1.880 20 0 ADADRO C1=C[C@@H]([NH2+][C@@H]2CCOC2)CC1 575502822 352418739 /nfs/dbraw/zinc/41/87/39/352418739.db2.gz XRRGRIGYNLVUKG-RKDXNWHRSA-N 1 0 153.225 1.084 20 0 ADADRO C1=C[C@H]([NH2+][C@H]2CCOC2)CC1 575502820 352418769 /nfs/dbraw/zinc/41/87/69/352418769.db2.gz XRRGRIGYNLVUKG-IUCAKERBSA-N 1 0 153.225 1.084 20 0 ADADRO C1=C[C@@H]([NH2+][C@H]2CCOC2)CC1 575502815 352418775 /nfs/dbraw/zinc/41/87/75/352418775.db2.gz XRRGRIGYNLVUKG-BDAKNGLRSA-N 1 0 153.225 1.084 20 0 ADADRO C1=C[C@H]([NH2+][C@@H]2CCOC2)CC1 575502819 352418794 /nfs/dbraw/zinc/41/87/94/352418794.db2.gz XRRGRIGYNLVUKG-DTWKUNHWSA-N 1 0 153.225 1.084 20 0 ADADRO C[C@@H]1CSC[C@@H]1[NH2+][C@H](C)CF 575509354 352453114 /nfs/dbraw/zinc/45/31/14/352453114.db2.gz YRVBQYWCFBKUHZ-PRJMDXOYSA-N 1 0 177.288 1.686 20 0 ADADRO C[C@H](CF)[NH2+][C@@H]1CSC[C@@H]1C 575509356 352453284 /nfs/dbraw/zinc/45/32/84/352453284.db2.gz YRVBQYWCFBKUHZ-XLPZGREQSA-N 1 0 177.288 1.686 20 0 ADADRO C[C@@H]1CSC[C@H]1[NH2+][C@H](C)CF 575509353 352453316 /nfs/dbraw/zinc/45/33/16/352453316.db2.gz YRVBQYWCFBKUHZ-BWZBUEFSSA-N 1 0 177.288 1.686 20 0 ADADRO C[C@H](CF)[NH2+][C@H]1CSC[C@@H]1C 575509355 352453409 /nfs/dbraw/zinc/45/34/09/352453409.db2.gz YRVBQYWCFBKUHZ-RNJXMRFFSA-N 1 0 177.288 1.686 20 0 ADADRO [NH3+][C@H]1C[C@@H](c2nc(C3CC3)no2)C1 575513152 352476379 /nfs/dbraw/zinc/47/63/79/352476379.db2.gz MTVGGDQDAKQQGF-KNVOCYPGSA-N 1 0 179.223 1.152 20 0 ADADRO CC(C)c1noc([C@H]2C[C@@H]([NH3+])C2)n1 575513233 352477119 /nfs/dbraw/zinc/47/71/19/352477119.db2.gz FOPKJGVKBIFRKJ-KNVOCYPGSA-N 1 0 181.239 1.398 20 0 ADADRO CC(C)([NH3+])CN1CCC(F)CC1 575514210 352482588 /nfs/dbraw/zinc/48/25/88/352482588.db2.gz GDCHXWWMDXTUGQ-UHFFFAOYSA-N 1 0 174.263 1.158 20 0 ADADRO [NH3+]Cc1ncoc1C(F)F 575519786 352509117 /nfs/dbraw/zinc/50/91/17/352509117.db2.gz VLDIJHNFXUULSX-UHFFFAOYSA-N 1 0 148.112 1.071 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]C(C)C 575521704 352518664 /nfs/dbraw/zinc/51/86/64/352518664.db2.gz GWDJCWAIZXDORQ-SFYZADRCSA-N 1 0 143.230 1.162 20 0 ADADRO Cc1cc(C)cc(CNC(N)=[NH2+])c1 575524727 352531182 /nfs/dbraw/zinc/53/11/82/352531182.db2.gz RLSMSGQXUOVMCF-UHFFFAOYSA-N 1 0 177.251 1.287 20 0 ADADRO CNC(=[NH2+])NC1CC2(CCC2)C1 575525693 352536113 /nfs/dbraw/zinc/53/61/13/352536113.db2.gz JDDRUGCQGHKUGE-UHFFFAOYSA-N 1 0 167.256 1.063 20 0 ADADRO CCNC(=[NH2+])NC1CC2(CCC2)C1 575526715 352541207 /nfs/dbraw/zinc/54/12/07/352541207.db2.gz WZSVXZZCFQFOOD-UHFFFAOYSA-N 1 0 181.283 1.453 20 0 ADADRO C1C[C@@H]2C[C@]2([NH2+]CC2CC2)C1 575531532 352562052 /nfs/dbraw/zinc/56/20/52/352562052.db2.gz IYVMDKUHLXLIBR-NXEZZACHSA-N 1 0 151.253 1.929 20 0 ADADRO C1C[C@H]2C[C@@]2([NH2+]CC2CC2)C1 575531535 352562078 /nfs/dbraw/zinc/56/20/78/352562078.db2.gz IYVMDKUHLXLIBR-UWVGGRQHSA-N 1 0 151.253 1.929 20 0 ADADRO CCC[NH2+][C@H]1COC[C@@H]1C 575532496 352566379 /nfs/dbraw/zinc/56/63/79/352566379.db2.gz VVEOFPIQSNUUPG-YUMQZZPRSA-N 1 0 143.230 1.021 20 0 ADADRO CCC[NH2+][C@@H]1COC[C@@H]1C 575532494 352566388 /nfs/dbraw/zinc/56/63/88/352566388.db2.gz VVEOFPIQSNUUPG-JGVFFNPUSA-N 1 0 143.230 1.021 20 0 ADADRO CCC[NH2+][C@@H]1COC[C@H]1C 575532493 352566393 /nfs/dbraw/zinc/56/63/93/352566393.db2.gz VVEOFPIQSNUUPG-HTQZYQBOSA-N 1 0 143.230 1.021 20 0 ADADRO CCC[NH2+][C@H]1COC[C@H]1C 575532495 352566461 /nfs/dbraw/zinc/56/64/61/352566461.db2.gz VVEOFPIQSNUUPG-SFYZADRCSA-N 1 0 143.230 1.021 20 0 ADADRO CC[NH2+][C@H]1COC[C@@H]1CC 575532704 352567460 /nfs/dbraw/zinc/56/74/60/352567460.db2.gz XERQSOTUWSMYOK-YUMQZZPRSA-N 1 0 143.230 1.021 20 0 ADADRO CC[NH2+][C@@H]1COC[C@@H]1CC 575532700 352567529 /nfs/dbraw/zinc/56/75/29/352567529.db2.gz XERQSOTUWSMYOK-JGVFFNPUSA-N 1 0 143.230 1.021 20 0 ADADRO CC[NH2+][C@H]1COC[C@H]1CC 575532702 352567583 /nfs/dbraw/zinc/56/75/83/352567583.db2.gz XERQSOTUWSMYOK-SFYZADRCSA-N 1 0 143.230 1.021 20 0 ADADRO CC[NH2+][C@@H]1COC[C@H]1CC 575532698 352567603 /nfs/dbraw/zinc/56/76/03/352567603.db2.gz XERQSOTUWSMYOK-HTQZYQBOSA-N 1 0 143.230 1.021 20 0 ADADRO CC(C)[NH2+][C@@]12CCC[C@@H]1C2 575534206 352574155 /nfs/dbraw/zinc/57/41/55/352574155.db2.gz VPUQRIZRQYACHK-RKDXNWHRSA-N 1 0 139.242 1.927 20 0 ADADRO CC(C)[C@H]([NH3+])C(=O)Nc1ccns1 575544659 352618877 /nfs/dbraw/zinc/61/88/77/352618877.db2.gz 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CC[NH2+]CCN[C@H]1CCC12CCC2 643505431 352977555 /nfs/dbraw/zinc/97/75/55/352977555.db2.gz GEKIVIFHSUAMMI-JTQLQIEISA-N 1 0 182.311 1.518 20 0 ADADRO CCNCC[NH2+][C@H](C)C(C)(C)C 643505210 352977575 /nfs/dbraw/zinc/97/75/75/352977575.db2.gz IZKITJOOTRHWBA-SECBINFHSA-N 1 0 172.316 1.620 20 0 ADADRO CC[NH2+]CCN[C@H](C)c1ccc(C)o1 643505395 352977581 /nfs/dbraw/zinc/97/75/81/352977581.db2.gz XDSXPAAHXADKSK-SNVBAGLBSA-N 1 0 196.294 1.848 20 0 ADADRO CCNCC[NH2+][C@H](CC)C1CCC1 643505434 352977642 /nfs/dbraw/zinc/97/76/42/352977642.db2.gz IALKSIMCVDNXFC-LLVKDONJSA-N 1 0 184.327 1.764 20 0 ADADRO CC[NH2+]CCN[C@@H](C)c1cccnc1 643505263 352977651 /nfs/dbraw/zinc/97/76/51/352977651.db2.gz XEJOHBKVPMJSSI-JTQLQIEISA-N 1 0 193.294 1.342 20 0 ADADRO CC[NH2+]CCN[C@H](C)c1ccoc1 643505282 352977657 /nfs/dbraw/zinc/97/76/57/352977657.db2.gz BLRYXMFQMCGYFQ-SECBINFHSA-N 1 0 182.267 1.540 20 0 ADADRO CC[NH2+]CCN[C@H](C)c1cccnc1 643505264 352977659 /nfs/dbraw/zinc/97/76/59/352977659.db2.gz XEJOHBKVPMJSSI-SNVBAGLBSA-N 1 0 193.294 1.342 20 0 ADADRO CCNCC[NH2+][C@@H]1CCC12CCCC2 643505429 352977665 /nfs/dbraw/zinc/97/76/65/352977665.db2.gz DCBCBTCJAIOCBE-LLVKDONJSA-N 1 0 196.338 1.908 20 0 ADADRO CC[NH2+]CCN[C@@H](C)c1ccncc1 643505202 352977673 /nfs/dbraw/zinc/97/76/73/352977673.db2.gz CSBKGABGEOFPAP-JTQLQIEISA-N 1 0 193.294 1.342 20 0 ADADRO CC[NH2+]CCN[C@@H](C)c1ccoc1 643505283 352977679 /nfs/dbraw/zinc/97/76/79/352977679.db2.gz BLRYXMFQMCGYFQ-VIFPVBQESA-N 1 0 182.267 1.540 20 0 ADADRO CCNCC[NH2+][C@@H](C)C(C)(C)C 643505211 352977685 /nfs/dbraw/zinc/97/76/85/352977685.db2.gz IZKITJOOTRHWBA-VIFPVBQESA-N 1 0 172.316 1.620 20 0 ADADRO CCNCC[NH2+][C@@H](C)CCCOC 643505208 352977716 /nfs/dbraw/zinc/97/77/16/352977716.db2.gz IKODXRLRQUJAMQ-JTQLQIEISA-N 1 0 188.315 1.001 20 0 ADADRO CC[NH2+]CCN[C@H](C)c1ccncc1 643505203 352977725 /nfs/dbraw/zinc/97/77/25/352977725.db2.gz CSBKGABGEOFPAP-SNVBAGLBSA-N 1 0 193.294 1.342 20 0 ADADRO CCNCC[NH2+][C@H](CC)C1CC1 643505270 352977738 /nfs/dbraw/zinc/97/77/38/352977738.db2.gz YEQXNUCPZBZGDB-SNVBAGLBSA-N 1 0 170.300 1.374 20 0 ADADRO CCNCC[NH2+][C@H]1CCC[C@@H]1CC 643505195 352977782 /nfs/dbraw/zinc/97/77/82/352977782.db2.gz AXKVZZXNUBNLBX-QWRGUYRKSA-N 1 0 184.327 1.764 20 0 ADADRO CCNCC[NH2+][C@@H](CC)C1CC1 643505269 352977839 /nfs/dbraw/zinc/97/78/39/352977839.db2.gz YEQXNUCPZBZGDB-JTQLQIEISA-N 1 0 170.300 1.374 20 0 ADADRO CC[NH2+]CCN[C@@H](C)c1ccc(C)o1 643505394 352977856 /nfs/dbraw/zinc/97/78/56/352977856.db2.gz XDSXPAAHXADKSK-JTQLQIEISA-N 1 0 196.294 1.848 20 0 ADADRO CCNCC[NH2+][C@@H]1CCC[C@@H]1CC 643505196 352977880 /nfs/dbraw/zinc/97/78/80/352977880.db2.gz AXKVZZXNUBNLBX-WDEREUQCSA-N 1 0 184.327 1.764 20 0 ADADRO CCNCC[NH2+][C@@H](CC)C1CCC1 643505435 352977887 /nfs/dbraw/zinc/97/78/87/352977887.db2.gz IALKSIMCVDNXFC-NSHDSACASA-N 1 0 184.327 1.764 20 0 ADADRO CCNCC[NH2+][C@H](C)CCCOC 643505209 352977896 /nfs/dbraw/zinc/97/78/96/352977896.db2.gz IKODXRLRQUJAMQ-SNVBAGLBSA-N 1 0 188.315 1.001 20 0 ADADRO CCNCC[NH2+][C@H](CC)C(C)C 643505366 352977905 /nfs/dbraw/zinc/97/79/05/352977905.db2.gz QFSMYLAGGLFCQP-SNVBAGLBSA-N 1 0 172.316 1.620 20 0 ADADRO CCNCC[NH2+][C@@H]1CCCC12CCC2 643505498 352977950 /nfs/dbraw/zinc/97/79/50/352977950.db2.gz VAHXOBFLHIQKHO-LLVKDONJSA-N 1 0 196.338 1.908 20 0 ADADRO CC[NH2+]CCN[C@H](C)c1ccccn1 643505243 352977970 /nfs/dbraw/zinc/97/79/70/352977970.db2.gz QPPRTKQUFKCYKC-SNVBAGLBSA-N 1 0 193.294 1.342 20 0 ADADRO CCNCC[NH2+][C@@H](CC)C(C)C 643505365 352977990 /nfs/dbraw/zinc/97/79/90/352977990.db2.gz QFSMYLAGGLFCQP-JTQLQIEISA-N 1 0 172.316 1.620 20 0 ADADRO CC[NH2+]CCN[C@@H]1CCC12CCC2 643505432 352978059 /nfs/dbraw/zinc/97/80/59/352978059.db2.gz GEKIVIFHSUAMMI-SNVBAGLBSA-N 1 0 182.311 1.518 20 0 ADADRO CCNCC[NH2+][C@H](C(C)C)C1CC1 643505204 352978075 /nfs/dbraw/zinc/97/80/75/352978075.db2.gz DPOZJJOPTQDZQK-LLVKDONJSA-N 1 0 184.327 1.620 20 0 ADADRO CCNCC[NH2+][C@H]1CCCC12CCC2 643505499 352978125 /nfs/dbraw/zinc/97/81/25/352978125.db2.gz VAHXOBFLHIQKHO-NSHDSACASA-N 1 0 196.338 1.908 20 0 ADADRO CCNCC[NH2+][C@H]1CCC12CCCC2 643505430 352978205 /nfs/dbraw/zinc/97/82/05/352978205.db2.gz DCBCBTCJAIOCBE-NSHDSACASA-N 1 0 196.338 1.908 20 0 ADADRO CCNCC[NH2+][C@@H](C(C)C)C1CC1 643505205 352978230 /nfs/dbraw/zinc/97/82/30/352978230.db2.gz DPOZJJOPTQDZQK-NSHDSACASA-N 1 0 184.327 1.620 20 0 ADADRO CCNCC[NH2+][C@@H](C)C1CCCC1 643505376 352978280 /nfs/dbraw/zinc/97/82/80/352978280.db2.gz SOONBWWIJXAIDD-JTQLQIEISA-N 1 0 184.327 1.764 20 0 ADADRO CC[NH2+]CCN[C@@H](C)c1ccccn1 643505242 352978299 /nfs/dbraw/zinc/97/82/99/352978299.db2.gz QPPRTKQUFKCYKC-JTQLQIEISA-N 1 0 193.294 1.342 20 0 ADADRO CCNCC[NH2+]C1CCC2(CC1)CC2 643505497 352978302 /nfs/dbraw/zinc/97/83/02/352978302.db2.gz UTTILVSLIOSKJQ-UHFFFAOYSA-N 1 0 196.338 1.908 20 0 ADADRO CCNCC[NH2+][C@H]1CC[C@H]1CC 643505518 352978574 /nfs/dbraw/zinc/97/85/74/352978574.db2.gz XQYCOSXDCIOXHL-ZJUUUORDSA-N 1 0 170.300 1.374 20 0 ADADRO CCNCC[NH2+][C@H](CC)[C@H]1C[C@H]1C 643505660 352978585 /nfs/dbraw/zinc/97/85/85/352978585.db2.gz PMZWWXSDMVAUTO-OUAUKWLOSA-N 1 0 184.327 1.620 20 0 ADADRO CCNCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643505658 352978605 /nfs/dbraw/zinc/97/86/05/352978605.db2.gz PMZWWXSDMVAUTO-GMTAPVOTSA-N 1 0 184.327 1.620 20 0 ADADRO CCNCC[NH2+][C@@H]1CC[C@@H]1CC 643505517 352978643 /nfs/dbraw/zinc/97/86/43/352978643.db2.gz XQYCOSXDCIOXHL-VHSXEESVSA-N 1 0 170.300 1.374 20 0 ADADRO CCNCC[NH2+][C@@H]1CC[C@H]1C1CCC1 643505540 352978677 /nfs/dbraw/zinc/97/86/77/352978677.db2.gz ZEMUPORLZKFFDH-NWDGAFQWSA-N 1 0 196.338 1.764 20 0 ADADRO CCNCC[NH2+][C@H]1CC[C@@H]1C1CCC1 643505539 352978697 /nfs/dbraw/zinc/97/86/97/352978697.db2.gz ZEMUPORLZKFFDH-NEPJUHHUSA-N 1 0 196.338 1.764 20 0 ADADRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccoc1 643505636 352978783 /nfs/dbraw/zinc/97/87/83/352978783.db2.gz MIAFRYIGDAOBRP-GXSJLCMTSA-N 1 0 194.278 1.682 20 0 ADADRO CCNCC[NH2+][C@H]1CC[C@@H]1CC 643505516 352978806 /nfs/dbraw/zinc/97/88/06/352978806.db2.gz XQYCOSXDCIOXHL-UWVGGRQHSA-N 1 0 170.300 1.374 20 0 ADADRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccoc1 643505637 352978841 /nfs/dbraw/zinc/97/88/41/352978841.db2.gz MIAFRYIGDAOBRP-KOLCDFICSA-N 1 0 194.278 1.682 20 0 ADADRO CCNCC[NH2+][C@H](C1CCC1)C1CC1 643505712 352978873 /nfs/dbraw/zinc/97/88/73/352978873.db2.gz WQQBGDOICIZNBF-GFCCVEGCSA-N 1 0 196.338 1.764 20 0 ADADRO CCNCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C 643505657 352978905 /nfs/dbraw/zinc/97/89/05/352978905.db2.gz PMZWWXSDMVAUTO-GARJFASQSA-N 1 0 184.327 1.620 20 0 ADADRO CCNCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643505542 352978971 /nfs/dbraw/zinc/97/89/71/352978971.db2.gz ZEMUPORLZKFFDH-VXGBXAGGSA-N 1 0 196.338 1.764 20 0 ADADRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccoc1 643505638 352979021 /nfs/dbraw/zinc/97/90/21/352979021.db2.gz MIAFRYIGDAOBRP-MWLCHTKSSA-N 1 0 194.278 1.682 20 0 ADADRO CCNCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643505659 352979032 /nfs/dbraw/zinc/97/90/32/352979032.db2.gz PMZWWXSDMVAUTO-HBNTYKKESA-N 1 0 184.327 1.620 20 0 ADADRO CCNCC[NH2+][C@H]1CC[C@H]1C1CCC1 643505541 352979049 /nfs/dbraw/zinc/97/90/49/352979049.db2.gz ZEMUPORLZKFFDH-RYUDHWBXSA-N 1 0 196.338 1.764 20 0 ADADRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccoc1 643505639 352979095 /nfs/dbraw/zinc/97/90/95/352979095.db2.gz MIAFRYIGDAOBRP-ONGXEEELSA-N 1 0 194.278 1.682 20 0 ADADRO CCNCC[NH2+][C@@H]1CC[C@H]1CC 643505515 352979125 /nfs/dbraw/zinc/97/91/25/352979125.db2.gz XQYCOSXDCIOXHL-NXEZZACHSA-N 1 0 170.300 1.374 20 0 ADADRO C[C@H]([NH2+]CCNC1CC1)C1CCCC1 643505917 352979152 /nfs/dbraw/zinc/97/91/52/352979152.db2.gz DPOYAZIKMRKRJX-JTQLQIEISA-N 1 0 196.338 1.907 20 0 ADADRO CCNCC[NH2+][C@@H](C1CCC1)C1CC1 643505713 352979161 /nfs/dbraw/zinc/97/91/61/352979161.db2.gz WQQBGDOICIZNBF-LBPRGKRZSA-N 1 0 196.338 1.764 20 0 ADADRO C[C@@H]([NH2+]CCNC1CC1)C1CCCC1 643505918 352979341 /nfs/dbraw/zinc/97/93/41/352979341.db2.gz DPOYAZIKMRKRJX-SNVBAGLBSA-N 1 0 196.338 1.907 20 0 ADADRO CC[C@H]([NH2+]CCNC1CC1)C1CC1 643506953 352979580 /nfs/dbraw/zinc/97/95/80/352979580.db2.gz NSGDSDJKFJTSHO-NSHDSACASA-N 1 0 182.311 1.517 20 0 ADADRO C[C@@H]([NH2+]CCNC1CC1)C(C)(C)C 643506822 352979627 /nfs/dbraw/zinc/97/96/27/352979627.db2.gz JNOAHWFVDDKBMO-SECBINFHSA-N 1 0 184.327 1.763 20 0 ADADRO CC[C@@H]([NH2+]CCNC1CC1)C1CCC1 643507680 352979645 /nfs/dbraw/zinc/97/96/45/352979645.db2.gz MMSPCYLEWPKBDB-GFCCVEGCSA-N 1 0 196.338 1.907 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]CCNC1CC1 643506224 352979666 /nfs/dbraw/zinc/97/96/66/352979666.db2.gz PBIFVDADOOXDML-VIFPVBQESA-N 1 0 182.311 1.517 20 0 ADADRO C[C@@H](NCC[NH2+]C1CC1)c1ccoc1 643507221 352979707 /nfs/dbraw/zinc/97/97/07/352979707.db2.gz WKJYNFSQGMHSMO-SECBINFHSA-N 1 0 194.278 1.682 20 0 ADADRO CC[C@H]([NH2+]CCNC1CC1)C1CCC1 643507681 352979711 /nfs/dbraw/zinc/97/97/11/352979711.db2.gz MMSPCYLEWPKBDB-LBPRGKRZSA-N 1 0 196.338 1.907 20 0 ADADRO CCC[C@H](CC)[NH2+]CCNC1CC1 643507038 352979718 /nfs/dbraw/zinc/97/97/18/352979718.db2.gz QQIQETQKMKQIMR-JTQLQIEISA-N 1 0 184.327 1.907 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]CCNC1CC1 643507749 352979747 /nfs/dbraw/zinc/97/97/47/352979747.db2.gz OGBZSEWWVDDSNW-MWLCHTKSSA-N 1 0 182.311 1.517 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]CCNC1CC1 643507750 352979759 /nfs/dbraw/zinc/97/97/59/352979759.db2.gz OGBZSEWWVDDSNW-ONGXEEELSA-N 1 0 182.311 1.517 20 0 ADADRO CC[C@H]1CCC[C@H]1[NH2+]CCNC1CC1 643506585 352979784 /nfs/dbraw/zinc/97/97/84/352979784.db2.gz CCVYUPLRPOZRGV-CMPLNLGQSA-N 1 0 196.338 1.907 20 0 ADADRO C[C@H](NCC[NH2+]C1CC1)c1ccoc1 643507222 352979821 /nfs/dbraw/zinc/97/98/21/352979821.db2.gz WKJYNFSQGMHSMO-VIFPVBQESA-N 1 0 194.278 1.682 20 0 ADADRO C[C@@H](CC1CCC1)[NH2+]CCNC1CC1 643507044 352979888 /nfs/dbraw/zinc/97/98/88/352979888.db2.gz QUIQJYKLMPNNIO-JTQLQIEISA-N 1 0 196.338 1.907 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCNC1CC1 643507748 352979924 /nfs/dbraw/zinc/97/99/24/352979924.db2.gz OGBZSEWWVDDSNW-KOLCDFICSA-N 1 0 182.311 1.517 20 0 ADADRO CC1(C)CCC[C@H]1[NH2+]CCNC1CC1 643506195 352979933 /nfs/dbraw/zinc/97/99/33/352979933.db2.gz NWEKQWFAABWIPY-LLVKDONJSA-N 1 0 196.338 1.907 20 0 ADADRO CC(C)[C@H]([NH2+]CCNC1CC1)C1CC1 643506580 352979938 /nfs/dbraw/zinc/97/99/38/352979938.db2.gz BXXXUNGNMUOUEC-LBPRGKRZSA-N 1 0 196.338 1.763 20 0 ADADRO CC[C@H]1CCC[C@@H]1[NH2+]CCNC1CC1 643506586 352979949 /nfs/dbraw/zinc/97/99/49/352979949.db2.gz CCVYUPLRPOZRGV-JQWIXIFHSA-N 1 0 196.338 1.907 20 0 ADADRO CC[C@@H]([NH2+]CCNC1CC1)C(C)C 643506388 352979991 /nfs/dbraw/zinc/97/99/91/352979991.db2.gz URLONYHAWVGZMS-LLVKDONJSA-N 1 0 184.327 1.763 20 0 ADADRO C[C@H](CC1CCC1)[NH2+]CCNC1CC1 643507045 352980027 /nfs/dbraw/zinc/98/00/27/352980027.db2.gz QUIQJYKLMPNNIO-SNVBAGLBSA-N 1 0 196.338 1.907 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]CCNC1CC1 643506265 352980068 /nfs/dbraw/zinc/98/00/68/352980068.db2.gz QCLRHEYHMCHNIS-KOLCDFICSA-N 1 0 182.311 1.517 20 0 ADADRO CC[C@@H]([NH2+]CCNC1CC1)C1CC1 643506952 352980198 /nfs/dbraw/zinc/98/01/98/352980198.db2.gz NSGDSDJKFJTSHO-LLVKDONJSA-N 1 0 182.311 1.517 20 0 ADADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCNC1CC1 643506587 352980204 /nfs/dbraw/zinc/98/02/04/352980204.db2.gz CCVYUPLRPOZRGV-PWSUYJOCSA-N 1 0 196.338 1.907 20 0 ADADRO C[C@H](CC1CC1)[NH2+]CCNC1CC1 643506223 352980233 /nfs/dbraw/zinc/98/02/33/352980233.db2.gz PBIFVDADOOXDML-SECBINFHSA-N 1 0 182.311 1.517 20 0 ADADRO CC[C@@H]1CCC[C@H]1[NH2+]CCNC1CC1 643506588 352980247 /nfs/dbraw/zinc/98/02/47/352980247.db2.gz CCVYUPLRPOZRGV-ZYHUDNBSSA-N 1 0 196.338 1.907 20 0 ADADRO C1CC2(C1)CC[C@H]2[NH2+]CCNC1CC1 643507701 352980253 /nfs/dbraw/zinc/98/02/53/352980253.db2.gz NCKKBDLPDGJSJP-LLVKDONJSA-N 1 0 194.322 1.661 20 0 ADADRO C1CC2(C1)CC[C@@H]2[NH2+]CCNC1CC1 643507702 352980295 /nfs/dbraw/zinc/98/02/95/352980295.db2.gz NCKKBDLPDGJSJP-NSHDSACASA-N 1 0 194.322 1.661 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]CCNC1CC1 643506266 352980307 /nfs/dbraw/zinc/98/03/07/352980307.db2.gz QCLRHEYHMCHNIS-MWLCHTKSSA-N 1 0 182.311 1.517 20 0 ADADRO C[C@H]([NH2+]CCNC1CC1)C(C)(C)C 643506823 352980314 /nfs/dbraw/zinc/98/03/14/352980314.db2.gz JNOAHWFVDDKBMO-VIFPVBQESA-N 1 0 184.327 1.763 20 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195.266 1.751 20 0 ADADRO O[C@@H]1COC[C@@H]1[NH2+]C1CCCCCC1 37885841 375296679 /nfs/dbraw/zinc/29/66/79/375296679.db2.gz YZGGYQARPRYTEU-WDEREUQCSA-N 1 0 199.294 1.059 20 0 ADADRO O[C@H]1COC[C@H]1[NH2+]C1CCCCCC1 37885838 375296893 /nfs/dbraw/zinc/29/68/93/375296893.db2.gz YZGGYQARPRYTEU-MNOVXSKESA-N 1 0 199.294 1.059 20 0 ADADRO CC[C@H](C)[N@@H+]1CCC[C@H](CO)C1 50104325 375299745 /nfs/dbraw/zinc/29/97/45/375299745.db2.gz BPBBUPAOVPVZKG-UWVGGRQHSA-N 1 0 171.284 1.489 20 0 ADADRO CC[C@H](C)C[N@@H+]1CCC[C@H](O)C1 50428255 375300276 /nfs/dbraw/zinc/30/02/76/375300276.db2.gz GOFMLFKNVVYJBI-UWVGGRQHSA-N 1 0 171.284 1.489 20 0 ADADRO CC[C@@H](C)C[N@@H+]1CCC[C@H](O)C1 50428254 375300411 /nfs/dbraw/zinc/30/04/11/375300411.db2.gz GOFMLFKNVVYJBI-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO C[C@@H](O)CC[NH+]1Cc2ccccc2C1 50911958 375300834 /nfs/dbraw/zinc/30/08/34/375300834.db2.gz HMEQVBBFLRYGCX-SNVBAGLBSA-N 1 0 191.274 1.773 20 0 ADADRO COC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C 50565461 375300884 /nfs/dbraw/zinc/30/08/84/375300884.db2.gz QGEYTRSIPVHRMX-RKDXNWHRSA-N 1 0 185.267 1.280 20 0 ADADRO C[C@H](O)CC[NH+]1Cc2ccccc2C1 50911957 375300938 /nfs/dbraw/zinc/30/09/38/375300938.db2.gz HMEQVBBFLRYGCX-JTQLQIEISA-N 1 0 191.274 1.773 20 0 ADADRO COC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C 50565462 375300968 /nfs/dbraw/zinc/30/09/68/375300968.db2.gz QGEYTRSIPVHRMX-DTWKUNHWSA-N 1 0 185.267 1.280 20 0 ADADRO C[C@@H]1CC[N@H+](CCO)[C@H](C)C1 51734208 375302180 /nfs/dbraw/zinc/30/21/80/375302180.db2.gz VJTSGSUHOSIUHL-RKDXNWHRSA-N 1 0 157.257 1.099 20 0 ADADRO CC(C)=CC[N@@H+]1CC[C@H](CO)C1 51887734 375301822 /nfs/dbraw/zinc/30/18/22/375301822.db2.gz JKGZWZTYGNUUGI-JTQLQIEISA-N 1 0 169.268 1.267 20 0 ADADRO CC(C)=CC[N@@H+]1CC[C@@H](CO)C1 51887735 375301895 /nfs/dbraw/zinc/30/18/95/375301895.db2.gz JKGZWZTYGNUUGI-SNVBAGLBSA-N 1 0 169.268 1.267 20 0 ADADRO OC[C@H]1CC[N@H+](CC2CCCCC2)C1 51886910 375301949 /nfs/dbraw/zinc/30/19/49/375301949.db2.gz FZJBWLXAQMILRQ-LBPRGKRZSA-N 1 0 197.322 1.881 20 0 ADADRO OC[C@@H]1CC[N@H+](CC2CCCCC2)C1 51886911 375302303 /nfs/dbraw/zinc/30/23/03/375302303.db2.gz FZJBWLXAQMILRQ-GFCCVEGCSA-N 1 0 197.322 1.881 20 0 ADADRO OC[C@@H]1CC[N@H+](Cc2ccsc2)C1 51887267 375302654 /nfs/dbraw/zinc/30/26/54/375302654.db2.gz BDVTZZSMUDQTQS-SECBINFHSA-N 1 0 197.303 1.562 20 0 ADADRO OC[C@H]1CC[N@H+](Cc2ccsc2)C1 51887266 375302747 /nfs/dbraw/zinc/30/27/47/375302747.db2.gz BDVTZZSMUDQTQS-VIFPVBQESA-N 1 0 197.303 1.562 20 0 ADADRO CC[N@H+](C)C[C@H]1CCCC[C@@H]1O 53882695 375303704 /nfs/dbraw/zinc/30/37/04/375303704.db2.gz VUTKNNCFXXANMH-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO CC(C)[N@H+](C)C[C@@H]1CCC[C@@H]1O 53881918 375303755 /nfs/dbraw/zinc/30/37/55/375303755.db2.gz BMMKIMNKRIXLJP-UWVGGRQHSA-N 1 0 171.284 1.488 20 0 ADADRO CC(C)[N@H+](C)C[C@H]1CCCC[C@@H]1O 53881903 375303790 /nfs/dbraw/zinc/30/37/90/375303790.db2.gz HXXGIEKQNOGLAA-MNOVXSKESA-N 1 0 185.311 1.878 20 0 ADADRO CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O 53882694 375303816 /nfs/dbraw/zinc/30/38/16/375303816.db2.gz VUTKNNCFXXANMH-UWVGGRQHSA-N 1 0 171.284 1.489 20 0 ADADRO CC[N@H+](C)C[C@@H]1CCC[C@@H]1O 53882719 375304204 /nfs/dbraw/zinc/30/42/04/375304204.db2.gz NFHGGZPHLKBFJT-IUCAKERBSA-N 1 0 157.257 1.099 20 0 ADADRO CC(C)[N@H+](C)C[C@H]1CCC[C@@H]1O 53881919 375304424 /nfs/dbraw/zinc/30/44/24/375304424.db2.gz BMMKIMNKRIXLJP-ZJUUUORDSA-N 1 0 171.284 1.488 20 0 ADADRO CC(C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O 53881902 375304608 /nfs/dbraw/zinc/30/46/08/375304608.db2.gz HXXGIEKQNOGLAA-QWRGUYRKSA-N 1 0 185.311 1.878 20 0 ADADRO CC[N@H+](C)C[C@H]1CCC[C@@H]1O 53882721 375304718 /nfs/dbraw/zinc/30/47/18/375304718.db2.gz NFHGGZPHLKBFJT-BDAKNGLRSA-N 1 0 157.257 1.099 20 0 ADADRO CC[C@H](C(N)=O)[NH+]1CCCCCC1 61678872 375307242 /nfs/dbraw/zinc/30/72/42/375307242.db2.gz QLPKLCROTDXATP-SECBINFHSA-N 1 0 184.283 1.126 20 0 ADADRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)o1 61707819 375307444 /nfs/dbraw/zinc/30/74/44/375307444.db2.gz PNZDDAXJGDOUEB-SECBINFHSA-N 1 0 181.235 1.155 20 0 ADADRO CC[C@@H](C(N)=O)[NH+]1CCCCCC1 61678871 375307756 /nfs/dbraw/zinc/30/77/56/375307756.db2.gz QLPKLCROTDXATP-VIFPVBQESA-N 1 0 184.283 1.126 20 0 ADADRO CC(C)(O)C[NH+]1CCC(C)(C)CC1 61821141 375308702 /nfs/dbraw/zinc/30/87/02/375308702.db2.gz NKVXDYWKYWSNIZ-UHFFFAOYSA-N 1 0 185.311 1.879 20 0 ADADRO CC[C@@H](C(N)=O)[NH+]1CCC(C)(C)CC1 61803737 375308712 /nfs/dbraw/zinc/30/87/12/375308712.db2.gz RDFBBKTXOBCEKT-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO CC1(C)CC[NH+](CCCO)CC1 61803870 375308767 /nfs/dbraw/zinc/30/87/67/375308767.db2.gz RVGUSKFENZXVEG-UHFFFAOYSA-N 1 0 171.284 1.491 20 0 ADADRO CC[C@H](C(N)=O)[NH+]1CCC(C)(C)CC1 61803739 375308824 /nfs/dbraw/zinc/30/88/24/375308824.db2.gz RDFBBKTXOBCEKT-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO COC(=O)[C@H](C)[NH+]1CCC(C)(C)CC1 61804173 375308834 /nfs/dbraw/zinc/30/88/34/375308834.db2.gz UVPMSNRBINBWEP-VIFPVBQESA-N 1 0 199.294 1.670 20 0 ADADRO O[C@@H]1CCCC[C@H]1[N@@H+]1CCCOCC1 61920686 375309435 /nfs/dbraw/zinc/30/94/35/375309435.db2.gz NJHAKCPLUIWADA-GHMZBOCLSA-N 1 0 199.294 1.012 20 0 ADADRO Cc1ncc(C[N@@H+]2CC[C@@H](O)C2)s1 62337302 375310366 /nfs/dbraw/zinc/31/03/66/375310366.db2.gz VQTUKLFUQPCRJR-MRVPVSSYSA-N 1 0 198.291 1.018 20 0 ADADRO Cc1ncc(C[N@@H+]2CC[C@H](O)C2)s1 62337301 375310639 /nfs/dbraw/zinc/31/06/39/375310639.db2.gz VQTUKLFUQPCRJR-QMMMGPOBSA-N 1 0 198.291 1.018 20 0 ADADRO c1cc(C[NH2+]C2CCOCC2)co1 62103735 375310699 /nfs/dbraw/zinc/31/06/99/375310699.db2.gz ZMQRZRPESQVADD-UHFFFAOYSA-N 1 0 181.235 1.548 20 0 ADADRO CC[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 62851717 375312302 /nfs/dbraw/zinc/31/23/02/375312302.db2.gz XRVISRQTSXIBSS-KOLCDFICSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)CNC(=O)[C@@]1(C)CCC[NH2+]C1 62851732 375312546 /nfs/dbraw/zinc/31/25/46/375312546.db2.gz MALYEZAPVZASST-NSHDSACASA-N 1 0 198.310 1.148 20 0 ADADRO CC(C)N(C)C(=O)[C@]1(C)CCC[NH2+]C1 62852390 375312848 /nfs/dbraw/zinc/31/28/48/375312848.db2.gz JGJNZOBKZSWGLS-LLVKDONJSA-N 1 0 198.310 1.243 20 0 ADADRO CCCN(C)C(=O)[C@@]1(C)CCC[NH2+]C1 62853429 375312915 /nfs/dbraw/zinc/31/29/15/375312915.db2.gz SYJZBUBPLCCRHR-NSHDSACASA-N 1 0 198.310 1.245 20 0 ADADRO CC[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]C1 62851715 375312939 /nfs/dbraw/zinc/31/29/39/375312939.db2.gz XRVISRQTSXIBSS-MWLCHTKSSA-N 1 0 198.310 1.291 20 0 ADADRO CCN(CC)C(=O)[C@]1(C)CCC[NH2+]C1 62851665 375312974 /nfs/dbraw/zinc/31/29/74/375312974.db2.gz GYNCBDUTENBRGG-LLVKDONJSA-N 1 0 198.310 1.245 20 0 ADADRO C[C@]1(C(=O)NC2CCC2)CCC[NH2+]C1 62860958 375313017 /nfs/dbraw/zinc/31/30/17/375313017.db2.gz KZLYJZQQJDQBRI-NSHDSACASA-N 1 0 196.294 1.045 20 0 ADADRO CC(C)N(C)C(=O)[C@@]1(C)CCC[NH2+]C1 62852391 375313079 /nfs/dbraw/zinc/31/30/79/375313079.db2.gz JGJNZOBKZSWGLS-NSHDSACASA-N 1 0 198.310 1.243 20 0 ADADRO CCN(CC)C(=O)[C@@]1(C)CCC[NH2+]C1 62851666 375313095 /nfs/dbraw/zinc/31/30/95/375313095.db2.gz GYNCBDUTENBRGG-NSHDSACASA-N 1 0 198.310 1.245 20 0 ADADRO CCC1(C)CCN(CC[NH3+])CC1 62951260 375313790 /nfs/dbraw/zinc/31/37/90/375313790.db2.gz DLLRGWXHHBGPJJ-UHFFFAOYSA-N 1 0 170.300 1.457 20 0 ADADRO CCC1(C)CCN(C(=O)[C@@H](C)[NH3+])CC1 62957850 375313884 /nfs/dbraw/zinc/31/38/84/375313884.db2.gz CMOAEIIEKUVLGV-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO CCC1(C)CC[NH+](CCO)CC1 62955293 375313918 /nfs/dbraw/zinc/31/39/18/375313918.db2.gz WXQAPQZJOMOWAK-UHFFFAOYSA-N 1 0 171.284 1.491 20 0 ADADRO CCC1(C)CCN(C(=O)C[NH2+]C)CC1 62957918 375313966 /nfs/dbraw/zinc/31/39/66/375313966.db2.gz HHKDJJFKDQGHNT-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CCC1(C)CCN(C(=O)CC[NH3+])CC1 62955195 375314008 /nfs/dbraw/zinc/31/40/08/375314008.db2.gz VPOIZBNCNHCPTC-UHFFFAOYSA-N 1 0 198.310 1.374 20 0 ADADRO C[C@@H]1C[NH2+][C@H](Cc2ccccc2)CO1 63219488 375314995 /nfs/dbraw/zinc/31/49/95/375314995.db2.gz OLDFUGLZCZSWQC-ZYHUDNBSSA-N 1 0 191.274 1.606 20 0 ADADRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC1 63193477 375315099 /nfs/dbraw/zinc/31/50/99/375315099.db2.gz NSTVWCMTLORFKU-SCZZXKLOSA-N 1 0 196.294 1.125 20 0 ADADRO C[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CO1 63219490 375315117 /nfs/dbraw/zinc/31/51/17/375315117.db2.gz OLDFUGLZCZSWQC-PWSUYJOCSA-N 1 0 191.274 1.606 20 0 ADADRO CC(C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] 63193196 375315146 /nfs/dbraw/zinc/31/51/46/375315146.db2.gz VPHHUIMPYJIWIF-NXEZZACHSA-N 1 0 198.310 1.371 20 0 ADADRO CC(C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] 63193199 375315156 /nfs/dbraw/zinc/31/51/56/375315156.db2.gz VPHHUIMPYJIWIF-UWVGGRQHSA-N 1 0 198.310 1.371 20 0 ADADRO CCCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] 63193023 375315161 /nfs/dbraw/zinc/31/51/61/375315161.db2.gz NFZSRVHTTWYYLW-UWVGGRQHSA-N 1 0 198.310 1.515 20 0 ADADRO CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] 63193183 375315169 /nfs/dbraw/zinc/31/51/69/375315169.db2.gz AHSGTNYTPKNLLG-IUCAKERBSA-N 1 0 184.283 1.125 20 0 ADADRO CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] 63193182 375315189 /nfs/dbraw/zinc/31/51/89/375315189.db2.gz AHSGTNYTPKNLLG-DTWKUNHWSA-N 1 0 184.283 1.125 20 0 ADADRO CC(C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] 63193197 375315194 /nfs/dbraw/zinc/31/51/94/375315194.db2.gz VPHHUIMPYJIWIF-ZJUUUORDSA-N 1 0 198.310 1.371 20 0 ADADRO CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] 63193180 375315199 /nfs/dbraw/zinc/31/51/99/375315199.db2.gz AHSGTNYTPKNLLG-RKDXNWHRSA-N 1 0 184.283 1.125 20 0 ADADRO CCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] 63193020 375315204 /nfs/dbraw/zinc/31/52/04/375315204.db2.gz NFZSRVHTTWYYLW-NXEZZACHSA-N 1 0 198.310 1.515 20 0 ADADRO C[C@H](N)[C@H]1CCCC[N@@H+]1CC1CC1 63191933 375315221 /nfs/dbraw/zinc/31/52/21/375315221.db2.gz JQKMCQJYJHUWEQ-GXSJLCMTSA-N 1 0 182.311 1.598 20 0 ADADRO c1cc(CN[C@H]2CCC[NH2+]C2)cs1 63152569 375315242 /nfs/dbraw/zinc/31/52/42/375315242.db2.gz SKYIENPZJRIYTH-JTQLQIEISA-N 1 0 196.319 1.590 20 0 ADADRO CC(C)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63191646 375315256 /nfs/dbraw/zinc/31/52/56/375315256.db2.gz IXPMYEBFWIGUJC-GHMZBOCLSA-N 1 0 184.327 1.844 20 0 ADADRO CCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] 63193021 375315364 /nfs/dbraw/zinc/31/53/64/375315364.db2.gz NFZSRVHTTWYYLW-ZJUUUORDSA-N 1 0 198.310 1.515 20 0 ADADRO 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375379473 /nfs/dbraw/zinc/37/94/73/375379473.db2.gz MPFNTJUZTVUEBC-BDAKNGLRSA-N 1 0 157.257 1.411 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]Cc2nncn2C)C1 70643458 375336662 /nfs/dbraw/zinc/33/66/62/375336662.db2.gz REMCPXLYINIGIQ-DTWKUNHWSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@@H]1C[NH+](CCCO)C[C@@H](C)S1 70384745 375332789 /nfs/dbraw/zinc/33/27/89/375332789.db2.gz ZCSUBNJMIAOCRP-RKDXNWHRSA-N 1 0 189.324 1.195 20 0 ADADRO C[C@H]1C[N@H+](CCCO)C[C@@H](C)S1 70384743 375332816 /nfs/dbraw/zinc/33/28/16/375332816.db2.gz ZCSUBNJMIAOCRP-DTORHVGOSA-N 1 0 189.324 1.195 20 0 ADADRO C[C@H]1C[NH+](CCCO)C[C@H](C)S1 70384744 375332827 /nfs/dbraw/zinc/33/28/27/375332827.db2.gz ZCSUBNJMIAOCRP-IUCAKERBSA-N 1 0 189.324 1.195 20 0 ADADRO CC1(C)CCC[N@H+](CCO)C1 70259595 375332862 /nfs/dbraw/zinc/33/28/62/375332862.db2.gz KKDAHBCRZLKMKA-UHFFFAOYSA-N 1 0 157.257 1.101 20 0 ADADRO CCC[NH+]1CCN(C(=O)C(C)C)CC1 70270026 375332941 /nfs/dbraw/zinc/33/29/41/375332941.db2.gz PHONGKHGGWRCQZ-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 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/nfs/dbraw/zinc/33/59/30/375335930.db2.gz VYQYHNITGYIVLM-GXSJLCMTSA-N 1 0 193.294 1.698 20 0 ADADRO CC1(C)CCC[C@@H]([NH2+]CCN)C1 70628985 375335935 /nfs/dbraw/zinc/33/59/35/375335935.db2.gz ZGRLHGUEWOSPFY-SECBINFHSA-N 1 0 170.300 1.504 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]Cc2nncn2C)C1 70643457 375336030 /nfs/dbraw/zinc/33/60/30/375336030.db2.gz REMCPXLYINIGIQ-RKDXNWHRSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccnn2C)C1 70644180 375335967 /nfs/dbraw/zinc/33/59/67/375335967.db2.gz JQSCQPCFAUDLGN-NXEZZACHSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)C1 70643605 375335978 /nfs/dbraw/zinc/33/59/78/375335978.db2.gz KGGWGNQXYSISQP-RKDXNWHRSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]Cc2ccnn2C)C1 70644181 375335992 /nfs/dbraw/zinc/33/59/92/375335992.db2.gz JQSCQPCFAUDLGN-VHSXEESVSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)C1 70643603 375336043 /nfs/dbraw/zinc/33/60/43/375336043.db2.gz KGGWGNQXYSISQP-BDAKNGLRSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 70643176 375336066 /nfs/dbraw/zinc/33/60/66/375336066.db2.gz DBAMWGCPVJZQMA-GXSJLCMTSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]Cc2nccn2C)C1 70644164 375336072 /nfs/dbraw/zinc/33/60/72/375336072.db2.gz OPACOSCTTHFAPV-NXEZZACHSA-N 1 0 193.294 1.698 20 0 ADADRO Cc1n[nH]cc1C[NH2+][C@H]1CC[C@H](C)C1 70643464 375336117 /nfs/dbraw/zinc/33/61/17/375336117.db2.gz RWSOPSJFGICSHD-KWQFWETISA-N 1 0 193.294 1.996 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)C1 70643606 375336164 /nfs/dbraw/zinc/33/61/64/375336164.db2.gz KGGWGNQXYSISQP-DTWKUNHWSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2C)C1 70644178 375336201 /nfs/dbraw/zinc/33/62/01/375336201.db2.gz JQSCQPCFAUDLGN-ZJUUUORDSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]Cc2nccn2C)C1 70644165 375336219 /nfs/dbraw/zinc/33/62/19/375336219.db2.gz OPACOSCTTHFAPV-VHSXEESVSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]C2CCOCC2)C1 70643174 375336259 /nfs/dbraw/zinc/33/62/59/375336259.db2.gz DBAMWGCPVJZQMA-ONGXEEELSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 70643175 375336265 /nfs/dbraw/zinc/33/62/65/375336265.db2.gz DBAMWGCPVJZQMA-MWLCHTKSSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]Cc2nccn2C)C1 70644162 375336281 /nfs/dbraw/zinc/33/62/81/375336281.db2.gz OPACOSCTTHFAPV-ZJUUUORDSA-N 1 0 193.294 1.698 20 0 ADADRO c1c[nH]c(C[NH2+][C@@H]2CCSC2)n1 70646289 375336302 /nfs/dbraw/zinc/33/63/02/375336302.db2.gz CXQOZMCHFVXUDT-SSDOTTSWSA-N 1 0 183.280 1.005 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]Cc2nncn2C)C1 70643455 375336324 /nfs/dbraw/zinc/33/63/24/375336324.db2.gz REMCPXLYINIGIQ-BDAKNGLRSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)C1 70644179 375336427 /nfs/dbraw/zinc/33/64/27/375336427.db2.gz JQSCQPCFAUDLGN-UWVGGRQHSA-N 1 0 193.294 1.698 20 0 ADADRO CC1(C)CCC[C@H]([NH2+]CCN)C1 70628984 375336474 /nfs/dbraw/zinc/33/64/74/375336474.db2.gz ZGRLHGUEWOSPFY-VIFPVBQESA-N 1 0 170.300 1.504 20 0 ADADRO c1c[nH]c(C[NH2+][C@H]2CCSC2)n1 70646290 375336486 /nfs/dbraw/zinc/33/64/86/375336486.db2.gz CXQOZMCHFVXUDT-ZETCQYMHSA-N 1 0 183.280 1.005 20 0 ADADRO Cc1n[nH]cc1C[NH2+][C@H]1CC[C@@H](C)C1 70643466 375336538 /nfs/dbraw/zinc/33/65/38/375336538.db2.gz RWSOPSJFGICSHD-KCJUWKMLSA-N 1 0 193.294 1.996 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 70643621 375336618 /nfs/dbraw/zinc/33/66/18/375336618.db2.gz VYQYHNITGYIVLM-MWLCHTKSSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)C1 70643619 375336679 /nfs/dbraw/zinc/33/66/79/375336679.db2.gz VYQYHNITGYIVLM-KOLCDFICSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]Cc2nncn2C)C1 70643456 375336686 /nfs/dbraw/zinc/33/66/86/375336686.db2.gz REMCPXLYINIGIQ-IUCAKERBSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)C1 70643620 375336773 /nfs/dbraw/zinc/33/67/73/375336773.db2.gz VYQYHNITGYIVLM-ONGXEEELSA-N 1 0 193.294 1.698 20 0 ADADRO CC1(C)CCC([NH2+]CCN)CC1 70654112 375337393 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184.283 1.029 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnn1C 70827511 375338201 /nfs/dbraw/zinc/33/82/01/375338201.db2.gz PQOLPJVZDKIQRU-ONGXEEELSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cnccn1 70828653 375338246 /nfs/dbraw/zinc/33/82/46/375338246.db2.gz CMGYGXILJWOUQS-KOLCDFICSA-N 1 0 191.278 1.755 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nn1 70828673 375338261 /nfs/dbraw/zinc/33/82/61/375338261.db2.gz BRETYTMSNGVEIQ-PSASIEDQSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1csnn1 70827573 375338274 /nfs/dbraw/zinc/33/82/74/375338274.db2.gz OTYSMDDRVBDROI-APPZFPTMSA-N 1 0 197.307 1.816 20 0 ADADRO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H]1C 70827504 375338286 /nfs/dbraw/zinc/33/82/86/375338286.db2.gz RUMMLTYXFBJRGR-KCJUWKMLSA-N 1 0 193.294 1.996 20 0 ADADRO C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)C[NH3+] 70832313 375338297 /nfs/dbraw/zinc/33/82/97/375338297.db2.gz TYHIVYPUFSYGTG-RKDXNWHRSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]Cc1ncc[nH]1 70829084 375338353 /nfs/dbraw/zinc/33/83/53/375338353.db2.gz VGRLBJYGOCQWCI-DTWKUNHWSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cnn(C)c1 70827207 375338366 /nfs/dbraw/zinc/33/83/66/375338366.db2.gz PULKKFOFRXEEGG-GXSJLCMTSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 70827562 375338376 /nfs/dbraw/zinc/33/83/76/375338376.db2.gz TXEIDKOBOGRTNY-PSASIEDQSA-N 1 0 179.267 1.688 20 0 ADADRO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]1C 70827496 375338413 /nfs/dbraw/zinc/33/84/13/375338413.db2.gz RUMMLTYXFBJRGR-GZMMTYOYSA-N 1 0 193.294 1.996 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]C1CCOCC1 70827468 375338459 /nfs/dbraw/zinc/33/84/59/375338459.db2.gz IARGDTLUKQERGY-GXSJLCMTSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cnccn1 70828659 375338492 /nfs/dbraw/zinc/33/84/92/375338492.db2.gz CMGYGXILJWOUQS-MWLCHTKSSA-N 1 0 191.278 1.755 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc[nH]1 70829075 375338528 /nfs/dbraw/zinc/33/85/28/375338528.db2.gz VGRLBJYGOCQWCI-BDAKNGLRSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ncc[nH]1 70829080 375338606 /nfs/dbraw/zinc/33/86/06/375338606.db2.gz VGRLBJYGOCQWCI-RKDXNWHRSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)C[NH3+] 70832303 375338644 /nfs/dbraw/zinc/33/86/44/375338644.db2.gz TYHIVYPUFSYGTG-BDAKNGLRSA-N 1 0 198.310 1.276 20 0 ADADRO C[C@@H]([NH2+][C@H]1CCOC1)C1CC1 70965523 375341127 /nfs/dbraw/zinc/34/11/27/375341127.db2.gz GKEHBIRQADMLST-APPZFPTMSA-N 1 0 155.241 1.163 20 0 ADADRO C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH3+] 70833821 375338691 /nfs/dbraw/zinc/33/86/91/375338691.db2.gz XSMKKGPRRDAHPQ-SFYZADRCSA-N 1 0 184.283 1.029 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1csnn1 70827582 375338700 /nfs/dbraw/zinc/33/87/00/375338700.db2.gz OTYSMDDRVBDROI-VXNVDRBHSA-N 1 0 197.307 1.816 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nn1 70828675 375338726 /nfs/dbraw/zinc/33/87/26/375338726.db2.gz BRETYTMSNGVEIQ-WCBMZHEXSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]C1CCOCC1 70827462 375338732 /nfs/dbraw/zinc/33/87/32/375338732.db2.gz IARGDTLUKQERGY-ONGXEEELSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cnccn1 70828657 375338751 /nfs/dbraw/zinc/33/87/51/375338751.db2.gz CMGYGXILJWOUQS-ONGXEEELSA-N 1 0 191.278 1.755 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nn1 70828670 375338763 /nfs/dbraw/zinc/33/87/63/375338763.db2.gz BRETYTMSNGVEIQ-WPRPVWTQSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH3+] 70833825 375338784 /nfs/dbraw/zinc/33/87/84/375338784.db2.gz XSMKKGPRRDAHPQ-HTQZYQBOSA-N 1 0 184.283 1.029 20 0 ADADRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 70827567 375338798 /nfs/dbraw/zinc/33/87/98/375338798.db2.gz TXEIDKOBOGRTNY-WCBMZHEXSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(C)c1 70827203 375338824 /nfs/dbraw/zinc/33/88/24/375338824.db2.gz PULKKFOFRXEEGG-MWLCHTKSSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 70827555 375338828 /nfs/dbraw/zinc/33/88/28/375338828.db2.gz TXEIDKOBOGRTNY-SCZZXKLOSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 70827557 375338900 /nfs/dbraw/zinc/33/89/00/375338900.db2.gz TXEIDKOBOGRTNY-WPRPVWTQSA-N 1 0 179.267 1.688 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]C1CCOCC1 70827461 375338915 /nfs/dbraw/zinc/33/89/15/375338915.db2.gz IARGDTLUKQERGY-KOLCDFICSA-N 1 0 183.295 1.944 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nn1 70828666 375338923 /nfs/dbraw/zinc/33/89/23/375338923.db2.gz BRETYTMSNGVEIQ-SCZZXKLOSA-N 1 0 194.282 1.093 20 0 ADADRO C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH3+] 70833827 375338931 /nfs/dbraw/zinc/33/89/31/375338931.db2.gz XSMKKGPRRDAHPQ-JGVFFNPUSA-N 1 0 184.283 1.029 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(C)c1 70827199 375338950 /nfs/dbraw/zinc/33/89/50/375338950.db2.gz PULKKFOFRXEEGG-ONGXEEELSA-N 1 0 193.294 1.698 20 0 ADADRO CC[C@H]([NH3+])C(=O)Nc1cc(C)ccn1 82247664 375351260 /nfs/dbraw/zinc/35/12/60/375351260.db2.gz SYIFDNPKFQFZRC-QMMMGPOBSA-N 1 0 193.250 1.066 20 0 ADADRO Cc1csc(C[NH2+][C@@H]2CCOC2)n1 70968103 375340524 /nfs/dbraw/zinc/34/05/24/375340524.db2.gz CGOXLLCPTXDIJO-MRVPVSSYSA-N 1 0 198.291 1.330 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCOC1)c1cccnc1 70964564 375340653 /nfs/dbraw/zinc/34/06/53/375340653.db2.gz PJJPMCOIIPRJJH-MWLCHTKSSA-N 1 0 192.262 1.521 20 0 ADADRO Cc1ccncc1NC(=O)C(C)(C)[NH3+] 70959119 375340670 /nfs/dbraw/zinc/34/06/70/375340670.db2.gz NNHDYQXGKPQFTB-UHFFFAOYSA-N 1 0 193.250 1.066 20 0 ADADRO C1CC(C[NH2+][C@@H]2CCOC2)C1 70965369 375340711 /nfs/dbraw/zinc/34/07/11/375340711.db2.gz MLWKMYKOBOOIKE-SECBINFHSA-N 1 0 155.241 1.165 20 0 ADADRO C[C@H]([NH2+][C@H]1CCOC1)c1ccccn1 70964406 375340768 /nfs/dbraw/zinc/34/07/68/375340768.db2.gz YSEMVINCRKRWJG-UWVGGRQHSA-N 1 0 192.262 1.521 20 0 ADADRO Cc1ccncc1NC(=O)C[C@@H](C)[NH3+] 70959350 375340839 /nfs/dbraw/zinc/34/08/39/375340839.db2.gz GOWHLZYKMJHTKH-MRVPVSSYSA-N 1 0 193.250 1.066 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCOC1)c1cccnc1 70964560 375340843 /nfs/dbraw/zinc/34/08/43/375340843.db2.gz PJJPMCOIIPRJJH-GXSJLCMTSA-N 1 0 192.262 1.521 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccn1 70964403 375340855 /nfs/dbraw/zinc/34/08/55/375340855.db2.gz YSEMVINCRKRWJG-NXEZZACHSA-N 1 0 192.262 1.521 20 0 ADADRO CC[C@@H](C)[NH2+][C@@H]1CCOC1 70962395 375340885 /nfs/dbraw/zinc/34/08/85/375340885.db2.gz UKODGCMQSJWQRZ-HTQZYQBOSA-N 1 0 143.230 1.163 20 0 ADADRO Cc1csc(C[NH2+][C@H]2CCOC2)n1 70968106 375340889 /nfs/dbraw/zinc/34/08/89/375340889.db2.gz CGOXLLCPTXDIJO-QMMMGPOBSA-N 1 0 198.291 1.330 20 0 ADADRO C[C@H]([NH2+][C@H]1CCOC1)c1cccnc1 70964568 375341008 /nfs/dbraw/zinc/34/10/08/375341008.db2.gz PJJPMCOIIPRJJH-ONGXEEELSA-N 1 0 192.262 1.521 20 0 ADADRO CC(C)(C)C[NH2+][C@@H]1CCOC1 70968143 375341028 /nfs/dbraw/zinc/34/10/28/375341028.db2.gz UQYJZLRVOVLMOW-MRVPVSSYSA-N 1 0 157.257 1.411 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCOC1)C1CC1 70965517 375341041 /nfs/dbraw/zinc/34/10/41/375341041.db2.gz GKEHBIRQADMLST-VXNVDRBHSA-N 1 0 155.241 1.163 20 0 ADADRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccccn1 70964410 375341052 /nfs/dbraw/zinc/34/10/52/375341052.db2.gz YSEMVINCRKRWJG-ZJUUUORDSA-N 1 0 192.262 1.521 20 0 ADADRO Cc1ccncc1NC(=O)C[C@H](C)[NH3+] 70959354 375341062 /nfs/dbraw/zinc/34/10/62/375341062.db2.gz GOWHLZYKMJHTKH-QMMMGPOBSA-N 1 0 193.250 1.066 20 0 ADADRO CC[C@H](C)[NH2+][C@H]1CCOC1 70962406 375341087 /nfs/dbraw/zinc/34/10/87/375341087.db2.gz UKODGCMQSJWQRZ-YUMQZZPRSA-N 1 0 143.230 1.163 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCOC1 70965285 375341134 /nfs/dbraw/zinc/34/11/34/375341134.db2.gz KDHCUYBRUNHMRZ-RKDXNWHRSA-N 1 0 157.257 1.409 20 0 ADADRO C1CC(C[NH2+][C@H]2CCOC2)C1 70965371 375341155 /nfs/dbraw/zinc/34/11/55/375341155.db2.gz MLWKMYKOBOOIKE-VIFPVBQESA-N 1 0 155.241 1.165 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccccn1 70964397 375341161 /nfs/dbraw/zinc/34/11/61/375341161.db2.gz YSEMVINCRKRWJG-VHSXEESVSA-N 1 0 192.262 1.521 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@H]1CCOC1 70965292 375341205 /nfs/dbraw/zinc/34/12/05/375341205.db2.gz KDHCUYBRUNHMRZ-BDAKNGLRSA-N 1 0 157.257 1.409 20 0 ADADRO C[C@@H]([NH2+][C@H]1CCOC1)c1cccnc1 70964572 375341241 /nfs/dbraw/zinc/34/12/41/375341241.db2.gz PJJPMCOIIPRJJH-KOLCDFICSA-N 1 0 192.262 1.521 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@@H]1CCOC1 70965287 375341279 /nfs/dbraw/zinc/34/12/79/375341279.db2.gz KDHCUYBRUNHMRZ-DTWKUNHWSA-N 1 0 157.257 1.409 20 0 ADADRO Cc1ncsc1C[NH2+][C@@H]1CCOC1 70969690 375341868 /nfs/dbraw/zinc/34/18/68/375341868.db2.gz UPLYZZWEFGXGPV-MRVPVSSYSA-N 1 0 198.291 1.330 20 0 ADADRO Cc1cccnc1C[NH2+][C@@H]1CCOC1 70969727 375341903 /nfs/dbraw/zinc/34/19/03/375341903.db2.gz YXVZSLGLJXDRCC-SNVBAGLBSA-N 1 0 192.262 1.269 20 0 ADADRO Cc1ncsc1C[NH2+][C@H]1CCOC1 70969694 375341910 /nfs/dbraw/zinc/34/19/10/375341910.db2.gz UPLYZZWEFGXGPV-QMMMGPOBSA-N 1 0 198.291 1.330 20 0 ADADRO Cc1ccc(C[NH2+][C@@H]2CCOC2)cn1 70969548 375341918 /nfs/dbraw/zinc/34/19/18/375341918.db2.gz BDHYCTXRLOLRLJ-LLVKDONJSA-N 1 0 192.262 1.269 20 0 ADADRO Cc1ccc(C[NH2+][C@H]2CCOC2)cn1 70969551 375341932 /nfs/dbraw/zinc/34/19/32/375341932.db2.gz BDHYCTXRLOLRLJ-NSHDSACASA-N 1 0 192.262 1.269 20 0 ADADRO CC1(C)C[C@@H]1[NH2+][C@H]1CCOC1 70968957 375341952 /nfs/dbraw/zinc/34/19/52/375341952.db2.gz HIXBQIHAMPZKCA-YUMQZZPRSA-N 1 0 155.241 1.163 20 0 ADADRO Cc1ccc(C[NH2+][C@H]2CCOC2)s1 70969052 375341967 /nfs/dbraw/zinc/34/19/67/375341967.db2.gz PJGKOTGUOVMAGV-VIFPVBQESA-N 1 0 197.303 1.935 20 0 ADADRO Cc1cccnc1C[NH2+][C@H]1CCOC1 70969729 375342018 /nfs/dbraw/zinc/34/20/18/375342018.db2.gz YXVZSLGLJXDRCC-JTQLQIEISA-N 1 0 192.262 1.269 20 0 ADADRO Cc1ccc(C[NH2+][C@@H]2CCOC2)s1 70969050 375342025 /nfs/dbraw/zinc/34/20/25/375342025.db2.gz PJGKOTGUOVMAGV-SECBINFHSA-N 1 0 197.303 1.935 20 0 ADADRO CC(C)(C)C[NH2+][C@@H]1CCCOC1 71012578 375343279 /nfs/dbraw/zinc/34/32/79/375343279.db2.gz VTYOYGUBSMCOHZ-SECBINFHSA-N 1 0 171.284 1.801 20 0 ADADRO CC(C)(C)C[NH2+][C@H]1CCCOC1 71012580 375343469 /nfs/dbraw/zinc/34/34/69/375343469.db2.gz VTYOYGUBSMCOHZ-VIFPVBQESA-N 1 0 171.284 1.801 20 0 ADADRO CCC[C@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 83814251 375380470 /nfs/dbraw/zinc/38/04/70/375380470.db2.gz RBKYITSHHDETRA-UWVGGRQHSA-N 1 0 198.310 1.243 20 0 ADADRO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C)C1 74864308 375346670 /nfs/dbraw/zinc/34/66/70/375346670.db2.gz WNUBFMLGXGGQQH-SECBINFHSA-N 1 0 198.310 1.100 20 0 ADADRO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C)C1 74864307 375346714 /nfs/dbraw/zinc/34/67/14/375346714.db2.gz WNUBFMLGXGGQQH-VIFPVBQESA-N 1 0 198.310 1.100 20 0 ADADRO Cn1ccc(C[NH2+][C@H]2CCSC2)c1 75123332 375348226 /nfs/dbraw/zinc/34/82/26/375348226.db2.gz UCQCOHHRLWRNOL-JTQLQIEISA-N 1 0 196.319 1.620 20 0 ADADRO Cc1noc(C)c1C[NH2+][C@@H]1CCOC1 75122955 375348647 /nfs/dbraw/zinc/34/86/47/375348647.db2.gz VYDFGHYXRVDXRQ-SECBINFHSA-N 1 0 196.250 1.170 20 0 ADADRO Cc1noc(C)c1C[NH2+][C@H]1CCOC1 75122958 375348733 /nfs/dbraw/zinc/34/87/33/375348733.db2.gz VYDFGHYXRVDXRQ-VIFPVBQESA-N 1 0 196.250 1.170 20 0 ADADRO Cn1ccc(C[NH2+][C@@H]2CCSC2)c1 75123329 375348754 /nfs/dbraw/zinc/34/87/54/375348754.db2.gz UCQCOHHRLWRNOL-SNVBAGLBSA-N 1 0 196.319 1.620 20 0 ADADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 78738032 375349552 /nfs/dbraw/zinc/34/95/52/375349552.db2.gz ARHYUWGDEZKQHN-CMPLNLGQSA-N 1 0 191.274 1.814 20 0 ADADRO Cc1ccc(O)c(C[NH2+]C2CCC2)n1 82560990 375364333 /nfs/dbraw/zinc/36/43/33/375364333.db2.gz UYIPZDCDFNWJMJ-UHFFFAOYSA-N 1 0 192.262 1.738 20 0 ADADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 78738037 375349856 /nfs/dbraw/zinc/34/98/56/375349856.db2.gz ARHYUWGDEZKQHN-ZYHUDNBSSA-N 1 0 191.274 1.814 20 0 ADADRO CN(CC1CCCC1)C1C[NH2+]C1 82492429 375364871 /nfs/dbraw/zinc/36/48/71/375364871.db2.gz DYPWUKCEMXKNNY-UHFFFAOYSA-N 1 0 168.284 1.080 20 0 ADADRO C[NH2+]C[C@@H](C)C(=O)N1CCC(C)CC1 82249314 375350779 /nfs/dbraw/zinc/35/07/79/375350779.db2.gz CKDIUIVEJIOQPW-SNVBAGLBSA-N 1 0 198.310 1.100 20 0 ADADRO C[NH2+]C[C@H](C)C(=O)N1CCC(C)CC1 82249313 375351020 /nfs/dbraw/zinc/35/10/20/375351020.db2.gz CKDIUIVEJIOQPW-JTQLQIEISA-N 1 0 198.310 1.100 20 0 ADADRO CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 82254460 375351131 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196.294 1.029 20 0 ADADRO CCCN(C)C(=O)[C@H]([NH3+])CC(C)C 37098518 409322816 /nfs/dbraw/zinc/32/28/16/409322816.db2.gz JUXJEVIRWUZOTB-SECBINFHSA-N 1 0 186.299 1.228 20 0 ADADRO C[C@@H]1C[C@H]1C(=O)NC1CCC([NH3+])CC1 36880371 409322851 /nfs/dbraw/zinc/32/28/51/409322851.db2.gz URUYNQWHUOVMOH-SEZDTBSWSA-N 1 0 196.294 1.029 20 0 ADADRO CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH3+] 37027288 409322885 /nfs/dbraw/zinc/32/28/85/409322885.db2.gz GVVGUPJGZZRTRV-UTLUCORTSA-N 1 0 198.310 1.419 20 0 ADADRO CC[C@@H](C)C[N@H+](C)[C@@H](CN)C1CC1 36884008 409322938 /nfs/dbraw/zinc/32/29/38/409322938.db2.gz SHNJLEFRERESQV-KOLCDFICSA-N 1 0 184.327 1.702 20 0 ADADRO CC[C@H]1CCCC[C@@H]1NC(=O)CC[NH3+] 37027272 409322942 /nfs/dbraw/zinc/32/29/42/409322942.db2.gz LISCOTWFDSQOIC-UWVGGRQHSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH3+] 37027289 409322946 /nfs/dbraw/zinc/32/29/46/409322946.db2.gz GVVGUPJGZZRTRV-OPRDCNLKSA-N 1 0 198.310 1.419 20 0 ADADRO C[NH2+]CCCc1nc(C(C)(C)C)no1 36925205 409322950 /nfs/dbraw/zinc/32/29/50/409322950.db2.gz AXOPSHYQJHQTMY-UHFFFAOYSA-N 1 0 197.282 1.519 20 0 ADADRO CCCCC[N@H+](C)[C@H](CN)C1CC1 36884007 409322954 /nfs/dbraw/zinc/32/29/54/409322954.db2.gz HJRRUPZTZIIMSM-LLVKDONJSA-N 1 0 184.327 1.846 20 0 ADADRO CCCN(CC)C(=O)[C@@H]1CCCC[NH2+]1 37095128 409322960 /nfs/dbraw/zinc/32/29/60/409322960.db2.gz BWLHNTNUWOQTKU-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CCCC[N@H+](C)[C@@H](CN)C1CC1 36883925 409322981 /nfs/dbraw/zinc/32/29/81/409322981.db2.gz JDUKTZXXGYPNLF-JTQLQIEISA-N 1 0 170.300 1.456 20 0 ADADRO CC[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C 37027326 409323037 /nfs/dbraw/zinc/32/30/37/409323037.db2.gz RLECBEKNANQEND-VHSXEESVSA-N 1 0 198.310 1.291 20 0 ADADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)CO 651198770 409323389 /nfs/dbraw/zinc/32/33/89/409323389.db2.gz QYUFSHOKWABJHX-BDAKNGLRSA-N 1 0 173.300 1.782 20 0 ADADRO CC[C@@H]([NH2+][C@@H](C)CO)c1ccncc1 651238044 409323572 /nfs/dbraw/zinc/32/35/72/409323572.db2.gz HFZBHAMBSQPYQR-GXSJLCMTSA-N 1 0 194.278 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186.299 1.230 20 0 ADADRO CCn1ccnc1[C@H](C)[NH2+]CCCF 651272023 409324890 /nfs/dbraw/zinc/32/48/90/409324890.db2.gz ISCRRHYLBHVADP-VIFPVBQESA-N 1 0 199.273 1.913 20 0 ADADRO CC[C@@H](C)C[N@H+](C)C[C@@H](C)N 37172882 409325005 /nfs/dbraw/zinc/32/50/05/409325005.db2.gz BAPYJVFSBZPWSR-RKDXNWHRSA-N 1 0 158.289 1.312 20 0 ADADRO [NH3+]CCCC(=O)NCC1CCCC1 37258784 409325051 /nfs/dbraw/zinc/32/50/51/409325051.db2.gz JBHSSEFWHDPZAW-UHFFFAOYSA-N 1 0 184.283 1.032 20 0 ADADRO CC[C@H](C)[N@H+](C)C[C@@H](C)N 37109979 409325066 /nfs/dbraw/zinc/32/50/66/409325066.db2.gz BDYOCJRTCVRMBH-SFYZADRCSA-N 1 0 144.262 1.064 20 0 ADADRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C1CC1 37155526 409325235 /nfs/dbraw/zinc/32/52/35/409325235.db2.gz CRXCGONFQFOXJV-NXEZZACHSA-N 1 0 193.294 1.660 20 0 ADADRO CCCCCN1CC[C@@H]([NH2+]C)C1 37240813 409325275 /nfs/dbraw/zinc/32/52/75/409325275.db2.gz RCQBCWCFTCPBNQ-SNVBAGLBSA-N 1 0 170.300 1.470 20 0 ADADRO CC(C)CN(C)C(=O)[C@H]([NH3+])C(C)C 37108605 409325318 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20 0 ADADRO CC[C@@H](C)CN(C)C(=O)C[C@@H](C)[NH3+] 37476158 409329005 /nfs/dbraw/zinc/32/90/05/409329005.db2.gz XZNAWVDVMPVMHT-RKDXNWHRSA-N 1 0 186.299 1.228 20 0 ADADRO CCC1([NH2+][C@H](C)[C@@H]2CCOC2)CC1 651396586 409329012 /nfs/dbraw/zinc/32/90/12/409329012.db2.gz OMIFOJUDPPXWLD-NXEZZACHSA-N 1 0 183.295 1.944 20 0 ADADRO CCC(CC)C(=O)N(C)[C@@H]1CC[NH2+]C1 37469715 409329014 /nfs/dbraw/zinc/32/90/14/409329014.db2.gz BXKHHLAUSNZTBE-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)C[C@H](C)NC(=O)C[C@H](C)[NH3+] 37476183 409329041 /nfs/dbraw/zinc/32/90/41/409329041.db2.gz MAAGVZYUGNZWSZ-IUCAKERBSA-N 1 0 186.299 1.275 20 0 ADADRO CCCCCNC(=O)C[C@H](C)[NH3+] 37475772 409329070 /nfs/dbraw/zinc/32/90/70/409329070.db2.gz DTHHOPKUFYQUTN-QMMMGPOBSA-N 1 0 172.272 1.030 20 0 ADADRO CN(C(=O)CC(C)(C)C)[C@H]1CC[NH2+]C1 37469814 409329077 /nfs/dbraw/zinc/32/90/77/409329077.db2.gz RINPIWIFIJTYKN-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO CCC1([NH2+][C@@H](C)[C@@H](C)OC)CC1 651396608 409329081 /nfs/dbraw/zinc/32/90/81/409329081.db2.gz RRVIAXVFJXHBER-DTWKUNHWSA-N 1 0 171.284 1.942 20 0 ADADRO CCC(CC)NC(=O)CCC[NH2+]C 37477480 409329102 /nfs/dbraw/zinc/32/91/02/409329102.db2.gz WNHDUEDCSCOFIW-UHFFFAOYSA-N 1 0 186.299 1.291 20 0 ADADRO C[C@H]([NH2+][C@H](C)C1CC1)[C@H]1CCCO1 651409056 409329106 /nfs/dbraw/zinc/32/91/06/409329106.db2.gz ASFACSYLYIGWIK-WCABBAIRSA-N 1 0 183.295 1.942 20 0 ADADRO CCC(CC)NC(=O)C[C@H](C)[NH3+] 37475649 409329143 /nfs/dbraw/zinc/32/91/43/409329143.db2.gz UPGXBHLKADUVQV-ZETCQYMHSA-N 1 0 172.272 1.029 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCCO1 651404672 409329150 /nfs/dbraw/zinc/32/91/50/409329150.db2.gz XVIOZDJFPXHENE-KXUCPTDWSA-N 1 0 187.283 1.178 20 0 ADADRO CCCCN(CC)C(=O)C[C@H](C)[NH3+] 37475825 409329197 /nfs/dbraw/zinc/32/91/97/409329197.db2.gz KXPXUYUIAFNBAQ-VIFPVBQESA-N 1 0 186.299 1.372 20 0 ADADRO CC(C)C[C@@H](C)NC(=O)C[NH2+]C1CC1 37476947 409329219 /nfs/dbraw/zinc/32/92/19/409329219.db2.gz DSXFQSDREGFZGL-SECBINFHSA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 651402562 409329238 /nfs/dbraw/zinc/32/92/38/409329238.db2.gz WDFITNQXRDIFRW-AEJSXWLSSA-N 1 0 171.284 1.536 20 0 ADADRO C[NH2+]CCCC(=O)Nc1ccccn1 37477485 409329277 /nfs/dbraw/zinc/32/92/77/409329277.db2.gz HVYGTDFGYCIYKM-UHFFFAOYSA-N 1 0 193.250 1.020 20 0 ADADRO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 651402561 409329278 /nfs/dbraw/zinc/32/92/78/409329278.db2.gz QWTDLFQULQHFLP-USWWRNFRSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCO1)C1CC1 651409055 409329304 /nfs/dbraw/zinc/32/93/04/409329304.db2.gz ASFACSYLYIGWIK-FXPVBKGRSA-N 1 0 183.295 1.942 20 0 ADADRO CCCN(CC1CC1)C(=O)C[C@H](C)[NH3+] 37476393 409329306 /nfs/dbraw/zinc/32/93/06/409329306.db2.gz DMULVKFNEVIAFC-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)CCC(=O)N(C)[C@@H]1CC[NH2+]C1 37469753 409329315 /nfs/dbraw/zinc/32/93/15/409329315.db2.gz FROIRHDVKPHZFU-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCC[C@H](C)[N@H+](C)C[C@@H](C)N 37409454 409329326 /nfs/dbraw/zinc/32/93/26/409329326.db2.gz XBMGIOHCUWETER-BDAKNGLRSA-N 1 0 158.289 1.454 20 0 ADADRO CC(C)C[C@H](C)NC(=O)C[NH2+]C1CC1 37476948 409329428 /nfs/dbraw/zinc/32/94/28/409329428.db2.gz DSXFQSDREGFZGL-VIFPVBQESA-N 1 0 198.310 1.289 20 0 ADADRO C[NH2+]CCCC(=O)NC1CCCC1 37477479 409329472 /nfs/dbraw/zinc/32/94/72/409329472.db2.gz AKJIIUDFLVUOEZ-UHFFFAOYSA-N 1 0 184.283 1.045 20 0 ADADRO C[NH2+]CCCC(=O)N1CCC[C@@H](C)C1 37477489 409329488 /nfs/dbraw/zinc/32/94/88/409329488.db2.gz XOVCSKRMFPDHRD-SNVBAGLBSA-N 1 0 198.310 1.245 20 0 ADADRO CCCN(CCC)C(=O)C[C@@H](C)[NH3+] 37475686 409329584 /nfs/dbraw/zinc/32/95/84/409329584.db2.gz FGXHYFPNFIHBEX-SECBINFHSA-N 1 0 186.299 1.372 20 0 ADADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)N 37409423 409329562 /nfs/dbraw/zinc/32/95/62/409329562.db2.gz XCHGTOMMAUILKH-RKDXNWHRSA-N 1 0 158.289 1.310 20 0 ADADRO CCCCN(CC)C(=O)C[C@@H](C)[NH3+] 37475823 409329624 /nfs/dbraw/zinc/32/96/24/409329624.db2.gz KXPXUYUIAFNBAQ-SECBINFHSA-N 1 0 186.299 1.372 20 0 ADADRO CC[C@H](C)CN(C)C(=O)C[C@@H](C)[NH3+] 37476159 409329633 /nfs/dbraw/zinc/32/96/33/409329633.db2.gz XZNAWVDVMPVMHT-DTWKUNHWSA-N 1 0 186.299 1.228 20 0 ADADRO C[NH2+]CCCC(=O)N1CCCCCC1 37477492 409329648 /nfs/dbraw/zinc/32/96/48/409329648.db2.gz IMASRVGHDXAVCY-UHFFFAOYSA-N 1 0 198.310 1.389 20 0 ADADRO CCC[C@H](C)NC(=O)CCC[NH2+]C 37477510 409329671 /nfs/dbraw/zinc/32/96/71/409329671.db2.gz ZQHFKVVQJWDBGX-VIFPVBQESA-N 1 0 186.299 1.291 20 0 ADADRO CC[C@@H](C)CN(C)C(=O)C[C@H](C)[NH3+] 37476160 409329680 /nfs/dbraw/zinc/32/96/80/409329680.db2.gz XZNAWVDVMPVMHT-BDAKNGLRSA-N 1 0 186.299 1.228 20 0 ADADRO CCCN(CC1CC1)C(=O)C[C@@H](C)[NH3+] 37476392 409329716 /nfs/dbraw/zinc/32/97/16/409329716.db2.gz DMULVKFNEVIAFC-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO CCC[C@@H](C)NC(=O)CCC[NH2+]C 37477509 409329754 /nfs/dbraw/zinc/32/97/54/409329754.db2.gz ZQHFKVVQJWDBGX-SECBINFHSA-N 1 0 186.299 1.291 20 0 ADADRO CC(C)[C@H](C)[N@H+](C)C[C@@H](C)N 37409424 409329759 /nfs/dbraw/zinc/32/97/59/409329759.db2.gz XCHGTOMMAUILKH-BDAKNGLRSA-N 1 0 158.289 1.310 20 0 ADADRO CC(C)[NH2+]CCC(=O)N(C)C(C)C 37480078 409330944 /nfs/dbraw/zinc/33/09/44/409330944.db2.gz NOVDYOXCBCDLGU-UHFFFAOYSA-N 1 0 186.299 1.241 20 0 ADADRO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](O)C1)C1CC1 651476703 409332934 /nfs/dbraw/zinc/33/29/34/409332934.db2.gz RMWXDITYRKMCLZ-OUAUKWLOSA-N 1 0 183.295 1.534 20 0 ADADRO CC(C)CCN(C)C(=O)[C@H]1CCC[NH2+]1 37499664 409330296 /nfs/dbraw/zinc/33/02/96/409330296.db2.gz LIAPGGSIXWCIMS-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCCCNC(=O)[C@@](C)([NH3+])CCC 37481212 409330314 /nfs/dbraw/zinc/33/03/14/409330314.db2.gz VAYPLRRLTZZTCO-JTQLQIEISA-N 1 0 186.299 1.420 20 0 ADADRO CCCN(CC)C(=O)C[NH2+]CC1CC1 37478245 409330440 /nfs/dbraw/zinc/33/04/40/409330440.db2.gz JJTWFPUPPWRMKD-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CCCN(C(=O)C(C)C)[C@@H]1CC[NH2+]C1 37653882 409330576 /nfs/dbraw/zinc/33/05/76/409330576.db2.gz SUWDCAAQXTUXTJ-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCCN(C)C(=O)CC[NH2+]C(C)C 37480150 409330588 /nfs/dbraw/zinc/33/05/88/409330588.db2.gz XRRHAWWKBWLEKR-UHFFFAOYSA-N 1 0 186.299 1.243 20 0 ADADRO CCC[C@@](C)([NH3+])C(=O)NCC1CC1 37481192 409330597 /nfs/dbraw/zinc/33/05/97/409330597.db2.gz LUVSFRFMUARMTR-SNVBAGLBSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O 651459930 409330608 /nfs/dbraw/zinc/33/06/08/409330608.db2.gz PVZQKJGJEPDVOG-OUAUKWLOSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@@H](C)N(C)C(=O)C[C@@H](C)[NH3+] 37654624 409330635 /nfs/dbraw/zinc/33/06/35/409330635.db2.gz VFQAWQVFHHKDOM-RKDXNWHRSA-N 1 0 186.299 1.371 20 0 ADADRO CC[C@@H](C)N(C)C(=O)C[NH2+]CC1CC1 37654741 409330650 /nfs/dbraw/zinc/33/06/50/409330650.db2.gz KLFSAIQVFLTJCY-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)CC(N)=O 651453597 409330656 /nfs/dbraw/zinc/33/06/56/409330656.db2.gz YZCGBRSQOMFOTA-GUBZILKMSA-N 1 0 198.310 1.132 20 0 ADADRO CCN(CC(C)C)C(=O)C[NH2+]C1CC1 37654653 409330671 /nfs/dbraw/zinc/33/06/71/409330671.db2.gz APRAEKQJWGHTNA-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO CCC[C@@H](C)N(C)C(=O)C[NH2+]C1CC1 37654664 409330784 /nfs/dbraw/zinc/33/07/84/409330784.db2.gz AMLRMSBXNZFNAP-SECBINFHSA-N 1 0 198.310 1.385 20 0 ADADRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)CC 37481156 409330866 /nfs/dbraw/zinc/33/08/66/409330866.db2.gz HTWIEWDNTPIUIQ-WCBMZHEXSA-N 1 0 186.299 1.419 20 0 ADADRO Cc1ccc([C@@H](C)NCC[NH3+])s1 37712588 409333188 /nfs/dbraw/zinc/33/31/88/409333188.db2.gz QVRMOJDQBSSLFE-MRVPVSSYSA-N 1 0 184.308 1.666 20 0 ADADRO CC(C)CCN(C)C(=O)[C@@H]1CCC[NH2+]1 37499663 409330880 /nfs/dbraw/zinc/33/08/80/409330880.db2.gz LIAPGGSIXWCIMS-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H](NCC[NH3+])c1ccccc1F 37712391 409333402 /nfs/dbraw/zinc/33/34/02/409333402.db2.gz YFNNBWHUTUUUPQ-QMMMGPOBSA-N 1 0 182.242 1.435 20 0 ADADRO CCCNC(=O)[C@@](C)([NH3+])CCC 37481131 409330908 /nfs/dbraw/zinc/33/09/08/409330908.db2.gz ZCYBAWIXLIKLSI-VIFPVBQESA-N 1 0 172.272 1.030 20 0 ADADRO 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/nfs/dbraw/zinc/33/11/68/409331168.db2.gz SUWXZWOPLCBFSN-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C)C1 37507191 409331175 /nfs/dbraw/zinc/33/11/75/409331175.db2.gz ZEYAZKOPZNHHPC-IVZWLZJFSA-N 1 0 198.310 1.419 20 0 ADADRO CCN(C(=O)CC[NH2+]C(C)C)C1CC1 37654933 409331196 /nfs/dbraw/zinc/33/11/96/409331196.db2.gz DPOBZTBJVCOVMN-UHFFFAOYSA-N 1 0 198.310 1.385 20 0 ADADRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)CC(N)=O 651453598 409331229 /nfs/dbraw/zinc/33/12/29/409331229.db2.gz YZCGBRSQOMFOTA-UTLUCORTSA-N 1 0 198.310 1.132 20 0 ADADRO CCC[C@H](C)N(C)C(=O)C[C@@H](C)[NH3+] 37654625 409331238 /nfs/dbraw/zinc/33/12/38/409331238.db2.gz VFQAWQVFHHKDOM-BDAKNGLRSA-N 1 0 186.299 1.371 20 0 ADADRO CCC[C@@](C)([NH3+])C(=O)N(CC)CC 37481140 409331263 /nfs/dbraw/zinc/33/12/63/409331263.db2.gz HMTVQOIBZLLOAA-SNVBAGLBSA-N 1 0 186.299 1.372 20 0 ADADRO CCC[C@@](C)([NH3+])C(=O)NCC(C)C 37481162 409331308 /nfs/dbraw/zinc/33/13/08/409331308.db2.gz FBAWVAHBJVBZRT-SNVBAGLBSA-N 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Cc1cc([C@H](C)NCC[NH3+])c(C)o1 37712715 409333791 /nfs/dbraw/zinc/33/37/91/409333791.db2.gz KCEGGPKMNFXXJF-QMMMGPOBSA-N 1 0 182.267 1.506 20 0 ADADRO CC[C@@H](C)C[NH2+]C[C@]1(C)CCC(=O)N1 651596975 409334356 /nfs/dbraw/zinc/33/43/56/409334356.db2.gz IFGDOTRAPNZJFI-KOLCDFICSA-N 1 0 198.310 1.291 20 0 ADADRO Cc1cc([C@@H](C)NCC[NH3+])c(C)s1 37712686 409333857 /nfs/dbraw/zinc/33/38/57/409333857.db2.gz YJABZXSGYZUEOI-MRVPVSSYSA-N 1 0 198.335 1.974 20 0 ADADRO C[C@H](NCC[NH3+])c1ccccc1Cl 37712356 409333869 /nfs/dbraw/zinc/33/38/69/409333869.db2.gz VECUUAHABZHNOH-QMMMGPOBSA-N 1 0 198.697 1.949 20 0 ADADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1O 37690120 409333890 /nfs/dbraw/zinc/33/38/90/409333890.db2.gz ZTBDNVSUSNNXHY-DCAQKATOSA-N 1 0 185.311 1.924 20 0 ADADRO C[C@H](O)C[N@H+](C)Cc1cccs1 37693973 409333904 /nfs/dbraw/zinc/33/39/04/409333904.db2.gz FADVYLGKGMBJEU-QMMMGPOBSA-N 1 0 185.292 1.561 20 0 ADADRO Cc1ccc([C@@H](C)NCC[NH3+])c(C)c1 37712473 409333930 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CC[C@H](O)C[NH2+][C@@H](C)C1CC1 37688786 409334178 /nfs/dbraw/zinc/33/41/78/409334178.db2.gz RCLBUOIHVLSWQF-CBAPKCEASA-N 1 0 157.257 1.145 20 0 ADADRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)CN(C)C 651605305 409334181 /nfs/dbraw/zinc/33/41/81/409334181.db2.gz YLBHXXCAYHAKQO-UWVGGRQHSA-N 1 0 184.327 1.572 20 0 ADADRO Cc1ccc([C@H](C)NCC[NH3+])cc1 37712346 409334205 /nfs/dbraw/zinc/33/42/05/409334205.db2.gz IKKWNEBAXPECQT-JTQLQIEISA-N 1 0 178.279 1.604 20 0 ADADRO Cc1ccc(C[N@@H+](C)C[C@H](C)O)o1 37693964 409334212 /nfs/dbraw/zinc/33/42/12/409334212.db2.gz TUCFYPQHTQFWKU-QMMMGPOBSA-N 1 0 183.251 1.401 20 0 ADADRO CC[C@@H](NCC[NH3+])c1ccccc1 37712348 409334223 /nfs/dbraw/zinc/33/42/23/409334223.db2.gz XYEMUWMYPKONJG-LLVKDONJSA-N 1 0 178.279 1.686 20 0 ADADRO CCc1cccc(C[NH2+]CCCO)c1 651667140 409334234 /nfs/dbraw/zinc/33/42/34/409334234.db2.gz ZVELIZSRZFSOFQ-UHFFFAOYSA-N 1 0 193.290 1.721 20 0 ADADRO CC(C)CC[C@H](C)[NH2+]CCN 37712571 409334238 /nfs/dbraw/zinc/33/42/38/409334238.db2.gz 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CCC[C@H](C)[N@H+](C)C[C@@H](C)O 37694079 409334939 /nfs/dbraw/zinc/33/49/39/409334939.db2.gz WMAITGMEGRXFPF-DTWKUNHWSA-N 1 0 159.273 1.488 20 0 ADADRO CCNC(=O)C(C)(C)[NH2+]C[C@@H]1C[C@@H]1C 651611521 409334940 /nfs/dbraw/zinc/33/49/40/409334940.db2.gz ZLJLDTWOLHQFKM-IUCAKERBSA-N 1 0 198.310 1.147 20 0 ADADRO Cc1ccc(C[N@@H+](C)C[C@@H](C)O)o1 37693963 409334963 /nfs/dbraw/zinc/33/49/63/409334963.db2.gz TUCFYPQHTQFWKU-MRVPVSSYSA-N 1 0 183.251 1.401 20 0 ADADRO CC[C@@H](O)C[N@H+](C)Cc1ccccn1 37694037 409334987 /nfs/dbraw/zinc/33/49/87/409334987.db2.gz CQRWKVPQLRNJOB-LLVKDONJSA-N 1 0 194.278 1.284 20 0 ADADRO CC[C@@H](C)C[N@H+](C)C[C@@H](C)O 37693459 409334993 /nfs/dbraw/zinc/33/49/93/409334993.db2.gz JLWIHSWWDQZLCT-RKDXNWHRSA-N 1 0 159.273 1.345 20 0 ADADRO CCCC1CCC([NH2+]CCN)CC1 37712641 409335007 /nfs/dbraw/zinc/33/50/07/409335007.db2.gz KHPVHTOQUQJGKQ-UHFFFAOYSA-N 1 0 184.327 1.894 20 0 ADADRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)CN(C)C 651605306 409335013 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38093937 409338903 /nfs/dbraw/zinc/33/89/03/409338903.db2.gz CAMYQAHDPSVICV-SECBINFHSA-N 1 0 186.299 1.276 20 0 ADADRO CC(C)C[NH2+]C[C@H](C)N(C)C 38088709 409338934 /nfs/dbraw/zinc/33/89/34/409338934.db2.gz IWWKVCAMUICLQA-VIFPVBQESA-N 1 0 158.289 1.182 20 0 ADADRO COC[C@H](CC(C)(C)C)[NH2+]CCF 651792812 409339057 /nfs/dbraw/zinc/33/90/57/409339057.db2.gz ILMRDZYQJORHDT-VIFPVBQESA-N 1 0 191.290 1.997 20 0 ADADRO CCC(=O)NCc1ccc(C[NH3+])cc1 37996310 409339065 /nfs/dbraw/zinc/33/90/65/409339065.db2.gz LXFWAKCEAYJHTJ-UHFFFAOYSA-N 1 0 192.262 1.172 20 0 ADADRO C[C@@H](C[NH2+]Cc1ccsc1)N(C)C 38088718 409339465 /nfs/dbraw/zinc/33/94/65/409339465.db2.gz RELCBLPQHKFMQE-VIFPVBQESA-N 1 0 198.335 1.788 20 0 ADADRO C[C@@H](C[NH2+][C@H](C)C1CC1)N(C)C 38088489 409339216 /nfs/dbraw/zinc/33/92/16/409339216.db2.gz JULXGMZPTXKQKB-DTWKUNHWSA-N 1 0 170.300 1.325 20 0 ADADRO CC[C@H]1CCCN1C(=O)CCC[NH3+] 37915018 409339333 /nfs/dbraw/zinc/33/93/33/409339333.db2.gz QRZZXQQKOUZWBA-VIFPVBQESA-N 1 0 184.283 1.126 20 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ADADRO CCc1nc(CC[NH2+]C)sc1C 53296470 409387955 /nfs/dbraw/zinc/38/79/55/409387955.db2.gz VRMGTSDAPDHMND-UHFFFAOYSA-N 1 0 184.308 1.776 20 0 ADADRO C[C@H]1CCCC[C@H]1[NH2+]CCNC1CC1 53388292 409387984 /nfs/dbraw/zinc/38/79/84/409387984.db2.gz GAUKTUNMMBITEP-CMPLNLGQSA-N 1 0 196.338 1.907 20 0 ADADRO CCCc1csc(CC[NH2+]C)n1 53296512 409388215 /nfs/dbraw/zinc/38/82/15/409388215.db2.gz XRPJBMRKMCVQPC-UHFFFAOYSA-N 1 0 184.308 1.858 20 0 ADADRO CC[NH2+]CCN[C@@H](C)c1ccco1 53387976 409388013 /nfs/dbraw/zinc/38/80/13/409388013.db2.gz AHLXLJHBYCCWAA-VIFPVBQESA-N 1 0 182.267 1.540 20 0 ADADRO CC1CCC([NH2+]CCNC2CC2)CC1 53388277 409388020 /nfs/dbraw/zinc/38/80/20/409388020.db2.gz KGANVDCPAUZCFB-UHFFFAOYSA-N 1 0 196.338 1.907 20 0 ADADRO CCCCN1CCC[C@@H]([NH2+]C)C1 53201332 409388098 /nfs/dbraw/zinc/38/80/98/409388098.db2.gz UCIONPCCLOKGQD-SNVBAGLBSA-N 1 0 170.300 1.470 20 0 ADADRO CCOC[C@H](C)[NH2+][C@@H](C)COC 53197228 409388146 /nfs/dbraw/zinc/38/81/46/409388146.db2.gz CVPCXDNHNMVSDT-IUCAKERBSA-N 1 0 175.272 1.036 20 0 ADADRO C[NH2+]CCN[C@H](C)c1ccco1 53387845 409388184 /nfs/dbraw/zinc/38/81/84/409388184.db2.gz WDGOVRAVMRSVDL-MRVPVSSYSA-N 1 0 168.240 1.150 20 0 ADADRO CCC(CC)C(=O)NC[C@H]1CCC[NH2+]1 53253316 409388288 /nfs/dbraw/zinc/38/82/88/409388288.db2.gz UPEQJVZSDXEMGC-SNVBAGLBSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)[C@H](C)[NH2+]CCNC1CC1 53388382 409388314 /nfs/dbraw/zinc/38/83/14/409388314.db2.gz WEPHSSBJFWCMHT-VIFPVBQESA-N 1 0 170.300 1.373 20 0 ADADRO CCCCC(=O)N1CCC[C@H]([NH2+]C)C1 53202137 409388346 /nfs/dbraw/zinc/38/83/46/409388346.db2.gz PKJWRSWJRWSGLX-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CCCCC(=O)NC[C@@H]1CCC[NH2+]1 53253265 409388352 /nfs/dbraw/zinc/38/83/52/409388352.db2.gz ZVKTVIQUBTXHBY-VIFPVBQESA-N 1 0 184.283 1.045 20 0 ADADRO CCCCCC(=O)NC[C@@H]1CCC[NH2+]1 53253513 409388533 /nfs/dbraw/zinc/38/85/33/409388533.db2.gz DJTMAVDHICJEEK-JTQLQIEISA-N 1 0 198.310 1.435 20 0 ADADRO CCC[C@H](C)[NH2+]CCNC1CC1 53388307 409388540 /nfs/dbraw/zinc/38/85/40/409388540.db2.gz AQCFRTSQBJZOCU-VIFPVBQESA-N 1 0 170.300 1.517 20 0 ADADRO C[NH2+]CCN[C@@H](C)c1cccs1 53387827 409388569 /nfs/dbraw/zinc/38/85/69/409388569.db2.gz ZXNUQPHNCFHJQF-QMMMGPOBSA-N 1 0 184.308 1.618 20 0 ADADRO CCC(CC)C(=O)NC[C@@H]1CCC[NH2+]1 53253314 409388613 /nfs/dbraw/zinc/38/86/13/409388613.db2.gz UPEQJVZSDXEMGC-JTQLQIEISA-N 1 0 198.310 1.291 20 0 ADADRO CCC[C@@H](C)[NH2+]CCNC1CC1 53388305 409388643 /nfs/dbraw/zinc/38/86/43/409388643.db2.gz AQCFRTSQBJZOCU-SECBINFHSA-N 1 0 170.300 1.517 20 0 ADADRO CCC[C@H](C)C(=O)NC[C@H]1CCC[NH2+]1 53254175 409388694 /nfs/dbraw/zinc/38/86/94/409388694.db2.gz JGGSJKPOFXYINQ-VHSXEESVSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@@H](C[NH3+])CNC(=O)CC1CCCC1 54139655 409389336 /nfs/dbraw/zinc/38/93/36/409389336.db2.gz CXQXQKYRGPCGRO-VIFPVBQESA-N 1 0 198.310 1.278 20 0 ADADRO CNC(=O)CC[NH2+][C@H](C)C1CCCC1 54081392 409389346 /nfs/dbraw/zinc/38/93/46/409389346.db2.gz FZAXXCDMMOVEEH-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H]([NH2+]CCN)C1CCCC1 54080480 409389376 /nfs/dbraw/zinc/38/93/76/409389376.db2.gz DYRWEQGXYMSGTA-QMMMGPOBSA-N 1 0 156.273 1.113 20 0 ADADRO CCC(CC)C(=O)NC[C@H](C)C[NH3+] 54139890 409389408 /nfs/dbraw/zinc/38/94/08/409389408.db2.gz SLLFUFOUJIVRFG-MRVPVSSYSA-N 1 0 186.299 1.134 20 0 ADADRO C[C@H](C[NH3+])CNC(=O)c1ccccc1 54139805 409389417 /nfs/dbraw/zinc/38/94/17/409389417.db2.gz SAHGQFDUGLMYPQ-SECBINFHSA-N 1 0 192.262 1.011 20 0 ADADRO CCCCCC(=O)NC[C@@H](C)C[NH3+] 54140111 409389516 /nfs/dbraw/zinc/38/95/16/409389516.db2.gz TVQCJVRZOIQAFZ-VIFPVBQESA-N 1 0 186.299 1.278 20 0 ADADRO C[NH2+]CCNC(=O)CC1CCCCC1 54244376 409389620 /nfs/dbraw/zinc/38/96/20/409389620.db2.gz IMVAQMVIKUIYHT-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO C[C@H](O)C[NH2+][C@H](C)C1CCCC1 54078195 409389648 /nfs/dbraw/zinc/38/96/48/409389648.db2.gz JLTIILRGLSWGCV-DTWKUNHWSA-N 1 0 171.284 1.536 20 0 ADADRO C[C@H]([NH2+]CCCO)C1CCCC1 54077809 409389876 /nfs/dbraw/zinc/38/98/76/409389876.db2.gz HYZJYGJMXURPPD-VIFPVBQESA-N 1 0 171.284 1.537 20 0 ADADRO CCCNC(=O)[C@H](C)Cc1c[nH]cn1 654376320 409389882 /nfs/dbraw/zinc/38/98/82/409389882.db2.gz KYILMOWMYHAIAU-MRVPVSSYSA-N 1 0 195.266 1.115 20 0 ADADRO CCC[C@@H](C)C(=O)NC[C@@H](C)C[NH3+] 54140064 409389885 /nfs/dbraw/zinc/38/98/85/409389885.db2.gz AGIGIAZJCPWPRR-DTWKUNHWSA-N 1 0 186.299 1.134 20 0 ADADRO C[C@@H]([NH2+]CCCO)C1CCCC1 54077811 409389973 /nfs/dbraw/zinc/38/99/73/409389973.db2.gz HYZJYGJMXURPPD-SECBINFHSA-N 1 0 171.284 1.537 20 0 ADADRO CCCc1csc(CCC[NH3+])n1 54139420 409390018 /nfs/dbraw/zinc/39/00/18/409390018.db2.gz IGPJKFMSZQQQMM-UHFFFAOYSA-N 1 0 184.308 1.987 20 0 ADADRO CCCNC(=O)[C@@H](C)Cc1c[nH]cn1 654376324 409390280 /nfs/dbraw/zinc/39/02/80/409390280.db2.gz KYILMOWMYHAIAU-QMMMGPOBSA-N 1 0 195.266 1.115 20 0 ADADRO C[C@H](C[NH3+])CNC(=O)C1CCCCC1 54139809 409390293 /nfs/dbraw/zinc/39/02/93/409390293.db2.gz QSDQTQHNNJABLS-SECBINFHSA-N 1 0 198.310 1.278 20 0 ADADRO C[C@H]([NH2+]CCO)C1CCCC1 54078027 409390313 /nfs/dbraw/zinc/39/03/13/409390313.db2.gz VNOHNLHUHHVHRS-QMMMGPOBSA-N 1 0 157.257 1.147 20 0 ADADRO CNC(=O)CC[NH2+][C@@H](C)C1CCCC1 54081391 409390325 /nfs/dbraw/zinc/39/03/25/409390325.db2.gz FZAXXCDMMOVEEH-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)CCC(=O)NC[C@@H](C)C[NH3+] 54140079 409390430 /nfs/dbraw/zinc/39/04/30/409390430.db2.gz UEXVQAZUBUIYFE-VIFPVBQESA-N 1 0 186.299 1.134 20 0 ADADRO C[C@@H](C[NH3+])CNC(=O)CC(C)(C)C 54139637 409390372 /nfs/dbraw/zinc/39/03/72/409390372.db2.gz BCAPIQMELXUDKW-QMMMGPOBSA-N 1 0 186.299 1.134 20 0 ADADRO CCCCCC(=O)NC[C@H](C)C[NH3+] 54140113 409390392 /nfs/dbraw/zinc/39/03/92/409390392.db2.gz TVQCJVRZOIQAFZ-SECBINFHSA-N 1 0 186.299 1.278 20 0 ADADRO CC(C)CCC(=O)NC[C@H](C)C[NH3+] 54140082 409390399 /nfs/dbraw/zinc/39/03/99/409390399.db2.gz UEXVQAZUBUIYFE-SECBINFHSA-N 1 0 186.299 1.134 20 0 ADADRO CCC(CC)C(=O)NC[C@@H](C)C[NH3+] 54139888 409390470 /nfs/dbraw/zinc/39/04/70/409390470.db2.gz SLLFUFOUJIVRFG-QMMMGPOBSA-N 1 0 186.299 1.134 20 0 ADADRO C[NH2+]CCNC(=O)c1ccc(C)s1 54244192 409390515 /nfs/dbraw/zinc/39/05/15/409390515.db2.gz DKHNWNNGVIMWTP-UHFFFAOYSA-N 1 0 198.291 1.006 20 0 ADADRO CCC[C@H](C)C(=O)NC[C@@H](C)C[NH3+] 54140066 409390602 /nfs/dbraw/zinc/39/06/02/409390602.db2.gz AGIGIAZJCPWPRR-IUCAKERBSA-N 1 0 186.299 1.134 20 0 ADADRO CCC[C@H](C)C(=O)NC[C@H](C)C[NH3+] 54140069 409390628 /nfs/dbraw/zinc/39/06/28/409390628.db2.gz AGIGIAZJCPWPRR-BDAKNGLRSA-N 1 0 186.299 1.134 20 0 ADADRO C[C@H](C[NH3+])CNC(=O)CC(C)(C)C 54139639 409390705 /nfs/dbraw/zinc/39/07/05/409390705.db2.gz BCAPIQMELXUDKW-MRVPVSSYSA-N 1 0 186.299 1.134 20 0 ADADRO C[NH2+]CCNC(=O)CCC1CCCC1 54244269 409390718 /nfs/dbraw/zinc/39/07/18/409390718.db2.gz GYZZIRLTJPBIFJ-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO C[C@H](O)C[NH2+][C@@H](C)C1CCCC1 54078191 409390770 /nfs/dbraw/zinc/39/07/70/409390770.db2.gz JLTIILRGLSWGCV-IUCAKERBSA-N 1 0 171.284 1.536 20 0 ADADRO C[NH2+]CCNC(=O)C1CCCCCC1 54244053 409390859 /nfs/dbraw/zinc/39/08/59/409390859.db2.gz YPRUIZMPOPLGIN-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO C[C@H](C[NH3+])CNC(=O)CC1CCCC1 54139657 409390867 /nfs/dbraw/zinc/39/08/67/409390867.db2.gz CXQXQKYRGPCGRO-SECBINFHSA-N 1 0 198.310 1.278 20 0 ADADRO CCC[C@@H](C)C(=O)NC[C@H](C)C[NH3+] 54140068 409390882 /nfs/dbraw/zinc/39/08/82/409390882.db2.gz AGIGIAZJCPWPRR-RKDXNWHRSA-N 1 0 186.299 1.134 20 0 ADADRO CCC(C)(C)C(=O)NC[C@@H](C)C[NH3+] 54401480 409391569 /nfs/dbraw/zinc/39/15/69/409391569.db2.gz JGLNHMSXFKLEPT-QMMMGPOBSA-N 1 0 186.299 1.134 20 0 ADADRO CC[NH2+]CCNC(=O)C(C)(C)CC 54403864 409391680 /nfs/dbraw/zinc/39/16/80/409391680.db2.gz UDROKYGUBUVDHX-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CCC(C)(C)C(=O)N[C@@H](C)CC[NH3+] 54401470 409391706 /nfs/dbraw/zinc/39/17/06/409391706.db2.gz TYFPLCPQEQTCNC-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H](C)C(=O)NCC[NH2+]CC 54263672 409391712 /nfs/dbraw/zinc/39/17/12/409391712.db2.gz PGXQKLPIOAMFMS-SECBINFHSA-N 1 0 186.299 1.148 20 0 ADADRO C[C@@H](c1ccncc1)N(C)CC[NH3+] 54416714 409391763 /nfs/dbraw/zinc/39/17/63/409391763.db2.gz REUKDWYIMLWFDS-VIFPVBQESA-N 1 0 179.267 1.033 20 0 ADADRO CCC(=O)NCC[N@@H+]1CCCC1(C)C 654536544 409391793 /nfs/dbraw/zinc/39/17/93/409391793.db2.gz IAPPIIIQLDEFOJ-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO CCC(C)(C)C(=O)NCC[NH2+]C1CC1 54403867 409391796 /nfs/dbraw/zinc/39/17/96/409391796.db2.gz MTCTYSLKFNGRGO-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCC[NH2+]CCNC(=O)c1ccco1 54264266 409391813 /nfs/dbraw/zinc/39/18/13/409391813.db2.gz VJFSZRVJYJVDIH-UHFFFAOYSA-N 1 0 196.250 1.009 20 0 ADADRO CCC(C)(C)C(=O)NC[C@@H]1CCC[NH2+]1 54403861 409391834 /nfs/dbraw/zinc/39/18/34/409391834.db2.gz HAPYBOYCCDYMOK-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CCC[C@H](C)C(=O)NCC[NH2+]C1CC1 54265962 409391954 /nfs/dbraw/zinc/39/19/54/409391954.db2.gz IMWXEZTYCWYOOW-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CCC[NH2+]CCNC(=O)CC(C)C 54264281 409392147 /nfs/dbraw/zinc/39/21/47/409392147.db2.gz HKBGMQPZOBUQSV-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CC[NH2+]CCNC(=O)C1CCCCC1 54263515 409392003 /nfs/dbraw/zinc/39/20/03/409392003.db2.gz FESIATUJDMOASJ-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CC[NH2+]CCNC(=O)CC(C)(C)C 54263607 409392093 /nfs/dbraw/zinc/39/20/93/409392093.db2.gz YPXANYHTHNTOCU-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CCC[C@H](C)C(=O)NCC[NH2+]CC 54263673 409392119 /nfs/dbraw/zinc/39/21/19/409392119.db2.gz PGXQKLPIOAMFMS-VIFPVBQESA-N 1 0 186.299 1.148 20 0 ADADRO CCCCCC(=O)NCC[NH2+]CC 54263333 409392123 /nfs/dbraw/zinc/39/21/23/409392123.db2.gz BSMXUKXQGPWVKP-UHFFFAOYSA-N 1 0 186.299 1.292 20 0 ADADRO CCC(CC)C(=O)NCC[NH2+]C1CC1 54265546 409392198 /nfs/dbraw/zinc/39/21/98/409392198.db2.gz MHJPMWATUJLNFS-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCN(CC[NH3+])C(=O)C(C)(C)CC 54401458 409392242 /nfs/dbraw/zinc/39/22/42/409392242.db2.gz UWVHSGXDYFDJBA-UHFFFAOYSA-N 1 0 186.299 1.230 20 0 ADADRO CC(C)(C)CC(=O)NCC[NH2+]C1CC1 54265921 409392260 /nfs/dbraw/zinc/39/22/60/409392260.db2.gz CGWBGUKODAQAKA-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCC(C)(C)C(=O)N(C)CCC[NH3+] 54401397 409392321 /nfs/dbraw/zinc/39/23/21/409392321.db2.gz OPRCXCVEJHQGEE-UHFFFAOYSA-N 1 0 186.299 1.230 20 0 ADADRO CCC[NH2+]CCNC(=O)c1ccoc1 54264349 409392352 /nfs/dbraw/zinc/39/23/52/409392352.db2.gz UYRNVZRBWQHIRI-UHFFFAOYSA-N 1 0 196.250 1.009 20 0 ADADRO CCCCC(=O)NCC[NH2+]C1CC1 54265520 409392376 /nfs/dbraw/zinc/39/23/76/409392376.db2.gz QLUVWWNFUPVRHN-UHFFFAOYSA-N 1 0 184.283 1.045 20 0 ADADRO CC(C)CCCNC(=O)[C@@H](C)C[NH3+] 54342408 409392393 /nfs/dbraw/zinc/39/23/93/409392393.db2.gz AZKVNWJWAQUWBP-VIFPVBQESA-N 1 0 186.299 1.134 20 0 ADADRO CCC(C)(C)C(=O)N(C)[C@H]1CC[NH2+]C1 54402035 409392426 /nfs/dbraw/zinc/39/24/26/409392426.db2.gz RTKASGMZQIAANI-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO CCC[NH2+]CCNC(=O)C1CCCC1 54264298 409392437 /nfs/dbraw/zinc/39/24/37/409392437.db2.gz XVCLCKAZORQKOX-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO C[C@H](c1ccncc1)N(C)CC[NH3+] 54416715 409392488 /nfs/dbraw/zinc/39/24/88/409392488.db2.gz REUKDWYIMLWFDS-SECBINFHSA-N 1 0 179.267 1.033 20 0 ADADRO CC[NH2+]CCNC(=O)C(CC)CC 54263246 409392558 /nfs/dbraw/zinc/39/25/58/409392558.db2.gz OEEXKECTLZNVKW-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CCC(C)(C)C(=O)N(C)[C@@H]1CC[NH2+]C1 54402034 409392581 /nfs/dbraw/zinc/39/25/81/409392581.db2.gz RTKASGMZQIAANI-SECBINFHSA-N 1 0 198.310 1.243 20 0 ADADRO CCCCC(=O)NCC[NH2+]CCC 54263996 409392615 /nfs/dbraw/zinc/39/26/15/409392615.db2.gz UVDZAUMRPRVAIH-UHFFFAOYSA-N 1 0 186.299 1.292 20 0 ADADRO CCC[NH2+]CCNC(=O)[C@H](C)CC 54264361 409392656 /nfs/dbraw/zinc/39/26/56/409392656.db2.gz RLSPSLRZATUARQ-SECBINFHSA-N 1 0 186.299 1.148 20 0 ADADRO CCC[NH2+]CCNC(=O)[C@@H](C)CC 54264359 409392664 /nfs/dbraw/zinc/39/26/64/409392664.db2.gz RLSPSLRZATUARQ-VIFPVBQESA-N 1 0 186.299 1.148 20 0 ADADRO CCC[C@@H](C)C(=O)NCC[NH2+]C1CC1 54265961 409392670 /nfs/dbraw/zinc/39/26/70/409392670.db2.gz IMWXEZTYCWYOOW-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO O=C(NCC[NH2+]C1CC1)C1CCCC1 54265847 409392697 /nfs/dbraw/zinc/39/26/97/409392697.db2.gz BZVXKLQFPKZYAQ-UHFFFAOYSA-N 1 0 196.294 1.045 20 0 ADADRO CC(C)CCC(=O)NCC[NH2+]C1CC1 54265960 409392734 /nfs/dbraw/zinc/39/27/34/409392734.db2.gz OXUVKVRLMHBCOY-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CC[NH2+]CCNC(=O)CC1CCCC1 54263532 409392771 /nfs/dbraw/zinc/39/27/71/409392771.db2.gz RJCAJNRSAHVAHR-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CCCCCC(=O)NCC[NH2+]C1CC1 54265646 409392774 /nfs/dbraw/zinc/39/27/74/409392774.db2.gz PIFQGDAKIVUPSB-UHFFFAOYSA-N 1 0 198.310 1.435 20 0 ADADRO C[C@@H](c1cccc(F)c1)N(C)CC[NH3+] 54416823 409392785 /nfs/dbraw/zinc/39/27/85/409392785.db2.gz MIWOWHXRTTXUGJ-VIFPVBQESA-N 1 0 196.269 1.777 20 0 ADADRO CCC1CN(C(=O)C[NH+](CC)CC)C1 654698337 409392817 /nfs/dbraw/zinc/39/28/17/409392817.db2.gz UYXQBMBOQREDOT-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO CCC(C)(C)C(=O)N[C@H](C)CC[NH3+] 54401472 409392826 /nfs/dbraw/zinc/39/28/26/409392826.db2.gz TYFPLCPQEQTCNC-MRVPVSSYSA-N 1 0 186.299 1.276 20 0 ADADRO C[C@H](c1cccnc1)N(C)CC[NH3+] 54416717 409392843 /nfs/dbraw/zinc/39/28/43/409392843.db2.gz DVRFHHDKFYSHOB-SECBINFHSA-N 1 0 179.267 1.033 20 0 ADADRO CCC(C)(C)C(=O)NCCC[NH2+]C 54402025 409392865 /nfs/dbraw/zinc/39/28/65/409392865.db2.gz GZCHNMPOONPELS-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CCC(C)(C)C(=O)NC[C@H](C)C[NH3+] 54401481 409392879 /nfs/dbraw/zinc/39/28/79/409392879.db2.gz JGLNHMSXFKLEPT-MRVPVSSYSA-N 1 0 186.299 1.134 20 0 ADADRO CC(C)CCCNC(=O)[C@H](C)C[NH3+] 54342412 409392893 /nfs/dbraw/zinc/39/28/93/409392893.db2.gz AZKVNWJWAQUWBP-SECBINFHSA-N 1 0 186.299 1.134 20 0 ADADRO CCC1CN(C(=O)C[N@H+](C)C(C)C)C1 654699281 409392923 /nfs/dbraw/zinc/39/29/23/409392923.db2.gz QYHOTFQTCNKHLZ-UHFFFAOYSA-N 1 0 198.310 1.195 20 0 ADADRO C[C@@H]1C[C@@H]1C(=O)NC(C)(C)C[NH+](C)C 654661383 409392997 /nfs/dbraw/zinc/39/29/97/409392997.db2.gz XLANLLMUYWELJD-BDAKNGLRSA-N 1 0 198.310 1.099 20 0 ADADRO CCC[N@H+](C)CC(=O)N1CC(CC)C1 654699139 409393013 /nfs/dbraw/zinc/39/30/13/409393013.db2.gz 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CC[NH2+]CCN[C@H](C)c1ccccc1 58852768 409393723 /nfs/dbraw/zinc/39/37/23/409393723.db2.gz VXXVRIUTNTXOMX-LLVKDONJSA-N 1 0 192.306 1.947 20 0 ADADRO Cc1cccc([C@@H](C)N(C)CC[NH3+])c1 54417146 409393826 /nfs/dbraw/zinc/39/38/26/409393826.db2.gz JPLKROAWYCOXLJ-LLVKDONJSA-N 1 0 192.306 1.947 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@H](O)CC 54470365 409393904 /nfs/dbraw/zinc/39/39/04/409393904.db2.gz BNSBJLIRBLHPBU-DTWKUNHWSA-N 1 0 159.273 1.393 20 0 ADADRO CC[C@@H](C)C[NH2+]Cc1ncc[nH]1 54469512 409393968 /nfs/dbraw/zinc/39/39/68/409393968.db2.gz VJMJDGHSVWJIKL-MRVPVSSYSA-N 1 0 167.256 1.545 20 0 ADADRO CCC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 654698012 409394012 /nfs/dbraw/zinc/39/40/12/409394012.db2.gz OAGWFOOYXLBBDL-JTQLQIEISA-N 1 0 198.310 1.195 20 0 ADADRO CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 55085949 409394036 /nfs/dbraw/zinc/39/40/36/409394036.db2.gz QYPHGVKBTZVBFQ-AEJSXWLSSA-N 1 0 198.310 1.419 20 0 ADADRO C[NH+](C)C(C)(C)CNc1ncccn1 54613498 409394096 /nfs/dbraw/zinc/39/40/96/409394096.db2.gz 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CNWVAJUOOBSBAZ-LLVKDONJSA-N 1 0 182.311 1.456 20 0 ADADRO C[N@H+](CC1CCC1)CC(C)(C)N 61482978 409398816 /nfs/dbraw/zinc/39/88/16/409398816.db2.gz WJAXTQHRPKODSS-UHFFFAOYSA-N 1 0 170.300 1.456 20 0 ADADRO c1cnc2cc(C[NH2+]C3CC3)ccc2n1 61415088 409398885 /nfs/dbraw/zinc/39/88/85/409398885.db2.gz CVDWWLZCPCDIHO-UHFFFAOYSA-N 1 0 199.257 1.882 20 0 ADADRO C[C@H](CN)[N@H+](C)CC1CCC1 61454858 409398914 /nfs/dbraw/zinc/39/89/14/409398914.db2.gz QUUODVLYJQCVOP-MRVPVSSYSA-N 1 0 156.273 1.066 20 0 ADADRO CCC[C@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 62887737 409400787 /nfs/dbraw/zinc/40/07/87/409400787.db2.gz VTEARWOICVNNKT-ONGXEEELSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)CCNC(=O)[C@]1(C)CC[NH2+]C1 62888469 409400858 /nfs/dbraw/zinc/40/08/58/409400858.db2.gz IBBTUIKGHXCKSV-LLVKDONJSA-N 1 0 198.310 1.148 20 0 ADADRO CCC(=O)NC[C@H]([NH3+])c1ccccc1 62837971 409400924 /nfs/dbraw/zinc/40/09/24/409400924.db2.gz OFKJEJDEVCWBKB-JTQLQIEISA-N 1 0 192.262 1.213 20 0 ADADRO CCCCC[N@@H+]1C[C@@H](C)NC[C@@H]1C 62567088 409401032 /nfs/dbraw/zinc/40/10/32/409401032.db2.gz IPLFECBPBPDBOQ-MNOVXSKESA-N 1 0 184.327 1.859 20 0 ADADRO CCCN(CC)C(=O)[C@@]1(C)CC[NH2+]C1 62890301 409401054 /nfs/dbraw/zinc/40/10/54/409401054.db2.gz ZUMHRALTNWJZLR-NSHDSACASA-N 1 0 198.310 1.245 20 0 ADADRO CCCCNC(=O)[C@@]1(C)CCC[NH2+]C1 62852113 409401132 /nfs/dbraw/zinc/40/11/32/409401132.db2.gz GDSVZWFBWKGNLF-NSHDSACASA-N 1 0 198.310 1.292 20 0 ADADRO CCCC(=O)N1CC[NH2+]C[C@@H]1C(C)C 62568190 409401158 /nfs/dbraw/zinc/40/11/58/409401158.db2.gz MJMVLLSTZXVKRZ-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCC(=O)NC[C@@H]([NH3+])c1ccccc1 62837972 409401186 /nfs/dbraw/zinc/40/11/86/409401186.db2.gz OFKJEJDEVCWBKB-SNVBAGLBSA-N 1 0 192.262 1.213 20 0 ADADRO CC(C)CCCN1CC[C@@H]([NH3+])C1 62097915 409401240 /nfs/dbraw/zinc/40/12/40/409401240.db2.gz SJDZFBVJHKERKJ-SNVBAGLBSA-N 1 0 170.300 1.456 20 0 ADADRO CCCCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 62888805 409401329 /nfs/dbraw/zinc/40/13/29/409401329.db2.gz AZHVYLSYLVOQNK-NSHDSACASA-N 1 0 198.310 1.245 20 0 ADADRO CCc1nnc(C[NH2+]CC(C)C)[nH]1 62743622 409401713 /nfs/dbraw/zinc/40/17/13/409401713.db2.gz LHUPIFYUWBGRGR-UHFFFAOYSA-N 1 0 182.271 1.113 20 0 ADADRO C[NH2+][C@@H]1CCN(CCCC(C)C)C1 62097925 409401757 /nfs/dbraw/zinc/40/17/57/409401757.db2.gz WKVQCAFEDSCNLD-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO CCCCCNC(=O)[C@]1(C)CC[NH2+]C1 62888282 409401810 /nfs/dbraw/zinc/40/18/10/409401810.db2.gz VMFNAGZQJVCDJM-LLVKDONJSA-N 1 0 198.310 1.292 20 0 ADADRO CCCN(CC)C(=O)[C@]1(C)CC[NH2+]C1 62890300 409402039 /nfs/dbraw/zinc/40/20/39/409402039.db2.gz ZUMHRALTNWJZLR-LLVKDONJSA-N 1 0 198.310 1.245 20 0 ADADRO CCCCNC(=O)[C@]1(C)CCC[NH2+]C1 62852112 409402046 /nfs/dbraw/zinc/40/20/46/409402046.db2.gz GDSVZWFBWKGNLF-LLVKDONJSA-N 1 0 198.310 1.292 20 0 ADADRO C[NH2+][C@H]1CCN(CCCC(C)C)C1 62097923 409402079 /nfs/dbraw/zinc/40/20/79/409402079.db2.gz WKVQCAFEDSCNLD-NSHDSACASA-N 1 0 184.327 1.716 20 0 ADADRO CC(C)C[NH2+]Cc1nnc(C2CC2)[nH]1 62743626 409402098 /nfs/dbraw/zinc/40/20/98/409402098.db2.gz BWFLREKTEWXINT-UHFFFAOYSA-N 1 0 194.282 1.428 20 0 ADADRO CCCCC(=O)N1CC[NH2+]CC1(C)C 62568181 409402128 /nfs/dbraw/zinc/40/21/28/409402128.db2.gz WDDZFEWGJCPKDO-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO CCC(CC)NC(=O)[C@@]1(C)CC[NH2+]C1 62887291 409402150 /nfs/dbraw/zinc/40/21/50/409402150.db2.gz CBLKYZQLIBFOER-NSHDSACASA-N 1 0 198.310 1.291 20 0 ADADRO CCCCC[N@@H+]1CCNCC1(C)C 62567133 409402178 /nfs/dbraw/zinc/40/21/78/409402178.db2.gz FQYYGURBRXPGKI-UHFFFAOYSA-N 1 0 184.327 1.860 20 0 ADADRO CCCCCNC(=O)[C@@]1(C)CC[NH2+]C1 62888285 409402209 /nfs/dbraw/zinc/40/22/09/409402209.db2.gz VMFNAGZQJVCDJM-NSHDSACASA-N 1 0 198.310 1.292 20 0 ADADRO CC(C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 62888471 409402227 /nfs/dbraw/zinc/40/22/27/409402227.db2.gz IBBTUIKGHXCKSV-NSHDSACASA-N 1 0 198.310 1.148 20 0 ADADRO CCC(CC)NC(=O)[C@]1(C)CC[NH2+]C1 62887288 409402433 /nfs/dbraw/zinc/40/24/33/409402433.db2.gz CBLKYZQLIBFOER-LLVKDONJSA-N 1 0 198.310 1.291 20 0 ADADRO CCCC(=O)N1CC[NH2+]C[C@H]1C(C)C 62568191 409402508 /nfs/dbraw/zinc/40/25/08/409402508.db2.gz MJMVLLSTZXVKRZ-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 62887735 409402524 /nfs/dbraw/zinc/40/25/24/409402524.db2.gz VTEARWOICVNNKT-KOLCDFICSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)C[NH2+]Cc1nnc(C(C)C)[nH]1 62743624 409402574 /nfs/dbraw/zinc/40/25/74/409402574.db2.gz YHEOEUOVJQRBLV-UHFFFAOYSA-N 1 0 196.298 1.674 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 62887731 409402606 /nfs/dbraw/zinc/40/26/06/409402606.db2.gz VTEARWOICVNNKT-MWLCHTKSSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)CCCN1CC[C@H]([NH3+])C1 62097913 409402638 /nfs/dbraw/zinc/40/26/38/409402638.db2.gz SJDZFBVJHKERKJ-JTQLQIEISA-N 1 0 170.300 1.456 20 0 ADADRO CCCCC[N@@H+]1C[C@H](C)NC[C@@H]1C 62567086 409402694 /nfs/dbraw/zinc/40/26/94/409402694.db2.gz IPLFECBPBPDBOQ-QWRGUYRKSA-N 1 0 184.327 1.859 20 0 ADADRO CCCCN(C)C(=O)[C@]1(C)CC[NH2+]C1 62888803 409402724 /nfs/dbraw/zinc/40/27/24/409402724.db2.gz AZHVYLSYLVOQNK-LLVKDONJSA-N 1 0 198.310 1.245 20 0 ADADRO CCC[C@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 62887733 409402733 /nfs/dbraw/zinc/40/27/33/409402733.db2.gz VTEARWOICVNNKT-GXSJLCMTSA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)(C[NH3+])NC(=O)C[C@@H]1C=CCC1 63020317 409404044 /nfs/dbraw/zinc/40/40/44/409404044.db2.gz XBJVOHGZGNRDMR-SECBINFHSA-N 1 0 196.294 1.196 20 0 ADADRO CCCCCC(=O)NC(C)(C)C[NH3+] 63020264 409404089 /nfs/dbraw/zinc/40/40/89/409404089.db2.gz XMQKDLSDPQONPQ-UHFFFAOYSA-N 1 0 186.299 1.420 20 0 ADADRO CCC(CC)C(=O)NC(C)(C)C[NH3+] 63020163 409404276 /nfs/dbraw/zinc/40/42/76/409404276.db2.gz GYZKHGWTRCMGPS-UHFFFAOYSA-N 1 0 186.299 1.276 20 0 ADADRO CCCCC(=O)NC(C)(C)C[NH3+] 63020216 409404446 /nfs/dbraw/zinc/40/44/46/409404446.db2.gz RTHMOYVKQYPZNS-UHFFFAOYSA-N 1 0 172.272 1.030 20 0 ADADRO CCC[NH2+][C@H](C)Cc1cnccn1 63034503 409404594 /nfs/dbraw/zinc/40/45/94/409404594.db2.gz SLTSJMCMJJGYBL-SECBINFHSA-N 1 0 179.267 1.407 20 0 ADADRO CCC[NH2+][C@@H](C)Cc1cnccn1 63034502 409404631 /nfs/dbraw/zinc/40/46/31/409404631.db2.gz SLTSJMCMJJGYBL-VIFPVBQESA-N 1 0 179.267 1.407 20 0 ADADRO CC(C)[NH2+]CCN1CCCC1(C)C 63066974 409404636 /nfs/dbraw/zinc/40/46/36/409404636.db2.gz CRSJKJBNMWDQMN-UHFFFAOYSA-N 1 0 184.327 1.859 20 0 ADADRO CC(C)(C[NH3+])NC(=O)C[C@H]1C=CCC1 63020316 409404654 /nfs/dbraw/zinc/40/46/54/409404654.db2.gz XBJVOHGZGNRDMR-VIFPVBQESA-N 1 0 196.294 1.196 20 0 ADADRO CC(C)(C[NH3+])NC(=O)CC1CCCC1 63020369 409404692 /nfs/dbraw/zinc/40/46/92/409404692.db2.gz ODXVXQJNPUNLLJ-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO CC1(C)CCCN1CC[NH2+]CC1CC1 63073487 409404750 /nfs/dbraw/zinc/40/47/50/409404750.db2.gz VNAHREZTJFLXHQ-UHFFFAOYSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@@H](C(=O)NC1(C)CC=CC1)[NH+](C)C 655223586 409404828 /nfs/dbraw/zinc/40/48/28/409404828.db2.gz SOIXETWJTXRXCG-VIFPVBQESA-N 1 0 196.294 1.161 20 0 ADADRO CC(C)(C)CC(=O)NC(C)(C)C[NH3+] 63020406 409404896 /nfs/dbraw/zinc/40/48/96/409404896.db2.gz FXQDITWZXSSGTJ-UHFFFAOYSA-N 1 0 186.299 1.276 20 0 ADADRO CCC(C)(C)[NH+]1CCN(C(C)=O)CC1 655274829 409404922 /nfs/dbraw/zinc/40/49/22/409404922.db2.gz XZCDZJKUDIQXGW-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)[NH+](C)C 655284881 409405020 /nfs/dbraw/zinc/40/50/20/409405020.db2.gz YUVKSDFNKQNCOA-LPEHRKFASA-N 1 0 198.310 1.097 20 0 ADADRO CC(C)[C@@]1(C)C[C@H]1NC(=O)C[NH+](C)C 655266579 409405093 /nfs/dbraw/zinc/40/50/93/409405093.db2.gz HPVMNPCIUOUURA-MWLCHTKSSA-N 1 0 198.310 1.099 20 0 ADADRO CC(C)[C@]1(C)C[C@@H]1NC(=O)C[NH+](C)C 655266580 409405114 /nfs/dbraw/zinc/40/51/14/409405114.db2.gz HPVMNPCIUOUURA-ONGXEEELSA-N 1 0 198.310 1.099 20 0 ADADRO CC(C)CCC(=O)NC(C)(C)C[NH3+] 63020437 409405123 /nfs/dbraw/zinc/40/51/23/409405123.db2.gz HYLHIZXIYGFDAE-UHFFFAOYSA-N 1 0 186.299 1.276 20 0 ADADRO CCCN(C(=O)C[NH+](C)C)C(C)C 655238709 409405126 /nfs/dbraw/zinc/40/51/26/409405126.db2.gz KNLKOEDTLOTQRD-UHFFFAOYSA-N 1 0 186.299 1.195 20 0 ADADRO CC(C)C[C@@H]1C[C@H]1NC(=O)C[NH+](C)C 655176877 409405266 /nfs/dbraw/zinc/40/52/66/409405266.db2.gz YXEDJRJGWLJFNU-NXEZZACHSA-N 1 0 198.310 1.099 20 0 ADADRO CCCC(=O)N1CCC(C[NH2+]C)CC1 63159440 409405610 /nfs/dbraw/zinc/40/56/10/409405610.db2.gz KAQULGUBOSACPX-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CC(C)[C@]1(C)C[C@H]1NC(=O)C[NH+](C)C 655266578 409405644 /nfs/dbraw/zinc/40/56/44/409405644.db2.gz HPVMNPCIUOUURA-KOLCDFICSA-N 1 0 198.310 1.099 20 0 ADADRO CC(C)[C@@]1(C)C[C@@H]1NC(=O)C[NH+](C)C 655266577 409405664 /nfs/dbraw/zinc/40/56/64/409405664.db2.gz HPVMNPCIUOUURA-GXSJLCMTSA-N 1 0 198.310 1.099 20 0 ADADRO CCN(CC1CC1)C(=O)[C@@H]([NH3+])C(C)C 68946974 409406323 /nfs/dbraw/zinc/40/63/23/409406323.db2.gz CMTOQIPJPYDHNM-JTQLQIEISA-N 1 0 198.310 1.228 20 0 ADADRO CCN(CC1CC1)C(=O)C(C)(C)C[NH3+] 68946635 409405996 /nfs/dbraw/zinc/40/59/96/409405996.db2.gz JORYCJNBWASRTC-UHFFFAOYSA-N 1 0 198.310 1.230 20 0 ADADRO CC[C@H](NCC[NH2+]C)c1ccccc1 66189917 409406181 /nfs/dbraw/zinc/40/61/81/409406181.db2.gz HBXUGSKVILSRRG-LBPRGKRZSA-N 1 0 192.306 1.947 20 0 ADADRO CCC[N@H+](C[C@@H](O)COC)C(C)C 68891022 409406379 /nfs/dbraw/zinc/40/63/79/409406379.db2.gz MNQGWIUTRZRPQT-SNVBAGLBSA-N 1 0 189.299 1.114 20 0 ADADRO CC[C@@H]([NH3+])C(=O)NCc1ccsc1 63154775 409406530 /nfs/dbraw/zinc/40/65/30/409406530.db2.gz UZBTWWVPPHNPLC-MRVPVSSYSA-N 1 0 198.291 1.102 20 0 ADADRO CC[C@@H](NCC[NH2+]C)c1ccccc1 66189918 409406562 /nfs/dbraw/zinc/40/65/62/409406562.db2.gz HBXUGSKVILSRRG-GFCCVEGCSA-N 1 0 192.306 1.947 20 0 ADADRO CCN(CC1CC1)C(=O)CCC[NH2+]C 68946956 409406856 /nfs/dbraw/zinc/40/68/56/409406856.db2.gz HVBNFEUKVCUMQV-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO CCC[N@H+](C[C@H](O)COC)C(C)C 68891021 409406969 /nfs/dbraw/zinc/40/69/69/409406969.db2.gz MNQGWIUTRZRPQT-JTQLQIEISA-N 1 0 189.299 1.114 20 0 ADADRO Cc1nc(C[NH2+]CC(C)C)[nH]c1C 68946044 409407181 /nfs/dbraw/zinc/40/71/81/409407181.db2.gz LTMBZOUPCRYWGD-UHFFFAOYSA-N 1 0 181.283 1.772 20 0 ADADRO CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)N 63191367 409407232 /nfs/dbraw/zinc/40/72/32/409407232.db2.gz JJIDFCILGPALQR-MNOVXSKESA-N 1 0 184.327 1.988 20 0 ADADRO C[C@H]([NH3+])CC(=O)NCc1ccsc1 63154780 409407428 /nfs/dbraw/zinc/40/74/28/409407428.db2.gz WIRWDDPWPHSEBT-ZETCQYMHSA-N 1 0 198.291 1.102 20 0 ADADRO CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63191366 409407443 /nfs/dbraw/zinc/40/74/43/409407443.db2.gz JJIDFCILGPALQR-GHMZBOCLSA-N 1 0 184.327 1.988 20 0 ADADRO CCN(CC1CC1)C(=O)[C@H]([NH3+])C(C)C 68946972 409407526 /nfs/dbraw/zinc/40/75/26/409407526.db2.gz CMTOQIPJPYDHNM-SNVBAGLBSA-N 1 0 198.310 1.228 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NCc1ccsc1 63154781 409407573 /nfs/dbraw/zinc/40/75/73/409407573.db2.gz WIRWDDPWPHSEBT-SSDOTTSWSA-N 1 0 198.291 1.102 20 0 ADADRO [NH3+]CCCC(=O)NCc1ccsc1 63154744 409407589 /nfs/dbraw/zinc/40/75/89/409407589.db2.gz OLFJUKXXVMUPLI-UHFFFAOYSA-N 1 0 198.291 1.103 20 0 ADADRO CCCn1nccc1C[NH2+]C(C)C 69049569 409408162 /nfs/dbraw/zinc/40/81/62/409408162.db2.gz ZTENQFYEJCXECP-UHFFFAOYSA-N 1 0 181.283 1.791 20 0 ADADRO C[C@H](CC1CC1)[NH2+][C@@H]1CCOC1 69662513 409408182 /nfs/dbraw/zinc/40/81/82/409408182.db2.gz MHRCYGHCURQXMD-PSASIEDQSA-N 1 0 169.268 1.554 20 0 ADADRO CC(C)([NH3+])CCC(=O)NC(C)(C)C 69633389 409408223 /nfs/dbraw/zinc/40/82/23/409408223.db2.gz OJUZURLLOUUDBA-UHFFFAOYSA-N 1 0 186.299 1.419 20 0 ADADRO C[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 69633957 409408255 /nfs/dbraw/zinc/40/82/55/409408255.db2.gz JSTJEQIWZVHUDX-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO COC[C@H](C)[NH2+][C@H](C)CC1CC1 69662981 409408289 /nfs/dbraw/zinc/40/82/89/409408289.db2.gz ZIVCRTMLTNFJRJ-BDAKNGLRSA-N 1 0 171.284 1.800 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H](C)CC1CC1 69666186 409408398 /nfs/dbraw/zinc/40/83/98/409408398.db2.gz PRMUDIFWCZQQNY-WCBMZHEXSA-N 1 0 171.284 1.536 20 0 ADADRO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCO1 69665548 409408536 /nfs/dbraw/zinc/40/85/36/409408536.db2.gz GUIQNCHISZWKGP-MWLCHTKSSA-N 1 0 183.295 1.944 20 0 ADADRO CC(C)NC(=O)CCC(C)(C)[NH3+] 69633393 409408587 /nfs/dbraw/zinc/40/85/87/409408587.db2.gz NAOCPKKOFCNGSR-UHFFFAOYSA-N 1 0 172.272 1.029 20 0 ADADRO Cc1ccsc1[C@@H](C)NCC[NH3+] 69636600 409408600 /nfs/dbraw/zinc/40/86/00/409408600.db2.gz XZTRHPHRGVCOBB-MRVPVSSYSA-N 1 0 184.308 1.666 20 0 ADADRO CCCCC[NH+]1C[C@@H](C)N[C@H](C)C1 69627661 409408622 /nfs/dbraw/zinc/40/86/22/409408622.db2.gz WWKHWPPSMCDFLU-GHMZBOCLSA-N 1 0 184.327 1.859 20 0 ADADRO CCCC[C@H](CC)[NH2+]CCN 69631083 409408704 /nfs/dbraw/zinc/40/87/04/409408704.db2.gz UBVPOQIZXWOGFE-VIFPVBQESA-N 1 0 158.289 1.504 20 0 ADADRO CC(C)CCn1cc(C(C)(C)[NH3+])nn1 69679460 409408753 /nfs/dbraw/zinc/40/87/53/409408753.db2.gz WCRADSMNQVDPDS-UHFFFAOYSA-N 1 0 196.298 1.518 20 0 ADADRO CCCC[C@@H](CC)[NH2+]CCN 69631080 409408769 /nfs/dbraw/zinc/40/87/69/409408769.db2.gz UBVPOQIZXWOGFE-SECBINFHSA-N 1 0 158.289 1.504 20 0 ADADRO CN(C(=O)CCC(C)(C)[NH3+])C1CC1 69633542 409408784 /nfs/dbraw/zinc/40/87/84/409408784.db2.gz QHROLHCECDYENA-UHFFFAOYSA-N 1 0 184.283 1.125 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]CC(=O)NC1CC1 69665475 409408810 /nfs/dbraw/zinc/40/88/10/409408810.db2.gz QIARJMZLTYMRKM-QMMMGPOBSA-N 1 0 196.294 1.043 20 0 ADADRO CC[C@@H](O)C[NH2+][C@H](C)CC1CC1 69666190 409408859 /nfs/dbraw/zinc/40/88/59/409408859.db2.gz PRMUDIFWCZQQNY-PSASIEDQSA-N 1 0 171.284 1.536 20 0 ADADRO CC(C)([NH3+])CCC(=O)NCC1CC1 69633422 409408928 /nfs/dbraw/zinc/40/89/28/409408928.db2.gz WWEJYJPLNORQKV-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CC(C)[C@H](C)C(=O)N(C)CCC[NH3+] 69684409 409408937 /nfs/dbraw/zinc/40/89/37/409408937.db2.gz KCQFIKQJKFVQHF-VIFPVBQESA-N 1 0 186.299 1.086 20 0 ADADRO CC[C@H](C)NC(=O)CCC(C)(C)[NH3+] 69633398 409408989 /nfs/dbraw/zinc/40/89/89/409408989.db2.gz VMTBAAUQXZNLGN-QMMMGPOBSA-N 1 0 186.299 1.419 20 0 ADADRO CCCCn1cc(C(C)(C)[NH3+])nn1 69679702 409409045 /nfs/dbraw/zinc/40/90/45/409409045.db2.gz FYKJHDNRPPQFTA-UHFFFAOYSA-N 1 0 182.271 1.272 20 0 ADADRO CC[C@H](C)C[NH+]1C[C@@H](C)N[C@H](C)C1 69627377 409409089 /nfs/dbraw/zinc/40/90/89/409409089.db2.gz 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/nfs/dbraw/zinc/46/71/36/409467136.db2.gz SJQTZOYXEGQNFY-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO CCCCC[NH2+]Cc1nc(C)c[nH]1 657287327 409467140 /nfs/dbraw/zinc/46/71/40/409467140.db2.gz KUSHKIBBGOFDDC-UHFFFAOYSA-N 1 0 181.283 1.998 20 0 ADADRO CC[C@@H](O)C[NH2+]C1CC(C)C1 123396221 409467209 /nfs/dbraw/zinc/46/72/09/409467209.db2.gz KJLSZSCNOWKWJG-AMDVSUOASA-N 1 0 157.257 1.145 20 0 ADADRO CCC[NH2+]Cc1cnc2n1CCC2 657286229 409467213 /nfs/dbraw/zinc/46/72/13/409467213.db2.gz WAQNFVFSHJFAGX-UHFFFAOYSA-N 1 0 179.267 1.329 20 0 ADADRO C[C@H](O)C[NH+]1CC(c2ccccc2)C1 123262390 409467244 /nfs/dbraw/zinc/46/72/44/409467244.db2.gz BFVRQTDNYDKVBC-JTQLQIEISA-N 1 0 191.274 1.467 20 0 ADADRO CC[C@@H](O)C[NH2+]Cc1cscn1 123405755 409467326 /nfs/dbraw/zinc/46/73/26/409467326.db2.gz QZVGORGXCHTALM-MRVPVSSYSA-N 1 0 186.280 1.004 20 0 ADADRO CC(C)CC(=O)NC(C)(C)CC[NH3+] 123673297 409467345 /nfs/dbraw/zinc/46/73/45/409467345.db2.gz URSTZLHAPXMTRD-UHFFFAOYSA-N 1 0 186.299 1.276 20 0 ADADRO 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125690902 409472932 /nfs/dbraw/zinc/47/29/32/409472932.db2.gz PHZRZADQMWQAHP-MNOVXSKESA-N 1 0 184.327 1.750 20 0 ADADRO Cc1cccnc1CN(C)[C@H](C)C[NH3+] 125557167 409472960 /nfs/dbraw/zinc/47/29/60/409472960.db2.gz OMIHVUGTERJAFL-SNVBAGLBSA-N 1 0 193.294 1.169 20 0 ADADRO CCC(CC)C(=O)N(C)[C@H](C)C[NH3+] 125454480 409473165 /nfs/dbraw/zinc/47/31/65/409473165.db2.gz LYGNILDRMOQYOM-MRVPVSSYSA-N 1 0 186.299 1.228 20 0 ADADRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCN 125690660 409473210 /nfs/dbraw/zinc/47/32/10/409473210.db2.gz PHZRZADQMWQAHP-QWRGUYRKSA-N 1 0 184.327 1.750 20 0 ADADRO CC(C)CCC[N@H+](C)[C@H](C)CN 125518722 409473218 /nfs/dbraw/zinc/47/32/18/409473218.db2.gz QZAXZTYBHFZAML-SNVBAGLBSA-N 1 0 172.316 1.702 20 0 ADADRO CC(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] 125526250 409473275 /nfs/dbraw/zinc/47/32/75/409473275.db2.gz NUMOOQDJNDDXMA-BDAKNGLRSA-N 1 0 186.299 1.275 20 0 ADADRO CCC(CC)C[N@H+](C)[C@@H](C)CN 125554602 409473296 /nfs/dbraw/zinc/47/32/96/409473296.db2.gz HARFBYHGJSJYMD-VIFPVBQESA-N 1 0 172.316 1.702 20 0 ADADRO CC(C)(C)CCn1cc(CC[NH3+])nn1 125364904 409473311 /nfs/dbraw/zinc/47/33/11/409473311.db2.gz KWWOQOSOWJMDLU-UHFFFAOYSA-N 1 0 196.298 1.216 20 0 ADADRO CCC(CC)C(=O)N(C)[C@@H](C)C[NH3+] 125454293 409473414 /nfs/dbraw/zinc/47/34/14/409473414.db2.gz LYGNILDRMOQYOM-QMMMGPOBSA-N 1 0 186.299 1.228 20 0 ADADRO Cc1nc(C[NH2+]CC2(C)CC2)[nH]c1C 657386504 409473438 /nfs/dbraw/zinc/47/34/38/409473438.db2.gz CVHOJAGAUZLUCJ-UHFFFAOYSA-N 1 0 193.294 1.916 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@H]2CCSC2)n1 657377202 409473457 /nfs/dbraw/zinc/47/34/57/409473457.db2.gz BBKLOHOJAGJSBR-QMMMGPOBSA-N 1 0 197.307 1.313 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@H]2CC=CCC2)n1 657367527 409473505 /nfs/dbraw/zinc/47/35/05/409473505.db2.gz PMRLYBMYPZZPNQ-JTQLQIEISA-N 1 0 191.278 1.916 20 0 ADADRO Cc1nc(C[NH2+]CCC2CC2)[nH]c1C 657378833 409473516 /nfs/dbraw/zinc/47/35/16/409473516.db2.gz MKJIWQNSDLEBBR-UHFFFAOYSA-N 1 0 193.294 1.916 20 0 ADADRO Cc1c[nH]c(C[NH2+]C(C)(C)C2CC2)n1 657376879 409473527 /nfs/dbraw/zinc/47/35/27/409473527.db2.gz VURJYRYCFFZYFL-UHFFFAOYSA-N 1 0 193.294 1.996 20 0 ADADRO Cc1ncc(C[NH2+]C2CC(C)C2)n1C 657382205 409473542 /nfs/dbraw/zinc/47/35/42/409473542.db2.gz BSNXULCVYQTMPF-UHFFFAOYSA-N 1 0 193.294 1.617 20 0 ADADRO CC(C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] 125526720 409473570 /nfs/dbraw/zinc/47/35/70/409473570.db2.gz NUMOOQDJNDDXMA-IUCAKERBSA-N 1 0 186.299 1.275 20 0 ADADRO Cc1c[nH]c(C[NH2+]CCC2CC2)n1 657378128 409473578 /nfs/dbraw/zinc/47/35/78/409473578.db2.gz GXMNCHCTAIVDID-UHFFFAOYSA-N 1 0 179.267 1.608 20 0 ADADRO Cc1nc(C[NH2+]C2CC(C)C2)[nH]c1C 657382894 409473587 /nfs/dbraw/zinc/47/35/87/409473587.db2.gz FURLTTSTSDWZMD-UHFFFAOYSA-N 1 0 193.294 1.915 20 0 ADADRO C[C@@H](C[NH3+])N(C)Cc1cccc(O)c1 125543331 409473684 /nfs/dbraw/zinc/47/36/84/409473684.db2.gz BVKOQHAADSKHSI-VIFPVBQESA-N 1 0 194.278 1.171 20 0 ADADRO Cc1c[nH]c(C[NH2+]C2CC=CC2)n1 657396275 409473687 /nfs/dbraw/zinc/47/36/87/409473687.db2.gz QETWNRLQPHKNEH-UHFFFAOYSA-N 1 0 177.251 1.526 20 0 ADADRO Cc1c[nH]c(C[NH2+]C2CC(C)C2)n1 657382826 409473708 /nfs/dbraw/zinc/47/37/08/409473708.db2.gz FBSGGQGRGYZFJB-UHFFFAOYSA-N 1 0 179.267 1.606 20 0 ADADRO C[C@H](C[NH3+])N(C)Cc1cccc(O)c1 125543524 409473769 /nfs/dbraw/zinc/47/37/69/409473769.db2.gz BVKOQHAADSKHSI-SECBINFHSA-N 1 0 194.278 1.171 20 0 ADADRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCO1 657369594 409473775 /nfs/dbraw/zinc/47/37/75/409473775.db2.gz NKTJBFUJOXSKIB-AXFHLTTASA-N 1 0 199.294 1.323 20 0 ADADRO CC[C@H](COC)[NH2+]Cc1nc(C)c[nH]1 657370456 409473795 /nfs/dbraw/zinc/47/37/95/409473795.db2.gz HQNVTSLHBWBEOX-SECBINFHSA-N 1 0 197.282 1.233 20 0 ADADRO CCC(CC)C[N@H+](C)[C@H](C)CN 125554842 409473872 /nfs/dbraw/zinc/47/38/72/409473872.db2.gz HARFBYHGJSJYMD-SECBINFHSA-N 1 0 172.316 1.702 20 0 ADADRO CC(C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] 125526476 409473891 /nfs/dbraw/zinc/47/38/91/409473891.db2.gz NUMOOQDJNDDXMA-RKDXNWHRSA-N 1 0 186.299 1.275 20 0 ADADRO CC(C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] 125526914 409473940 /nfs/dbraw/zinc/47/39/40/409473940.db2.gz NUMOOQDJNDDXMA-DTWKUNHWSA-N 1 0 186.299 1.275 20 0 ADADRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCN 125691314 409474013 /nfs/dbraw/zinc/47/40/13/409474013.db2.gz PHZRZADQMWQAHP-GHMZBOCLSA-N 1 0 184.327 1.750 20 0 ADADRO CCC[NH2+][C@@H]1CCO[C@H]1CC 657365859 409474027 /nfs/dbraw/zinc/47/40/27/409474027.db2.gz VHIIKVRMMDNFSD-BDAKNGLRSA-N 1 0 157.257 1.554 20 0 ADADRO C[C@@H](CN)[N@H+](C)CCC(C)(C)C 125541237 409474039 /nfs/dbraw/zinc/47/40/39/409474039.db2.gz HCSHAYGALXKXDB-VIFPVBQESA-N 1 0 172.316 1.702 20 0 ADADRO C[C@H](CN)[N@H+](C)CCC(C)(C)C 125541463 409474055 /nfs/dbraw/zinc/47/40/55/409474055.db2.gz HCSHAYGALXKXDB-SECBINFHSA-N 1 0 172.316 1.702 20 0 ADADRO CC[C@@H]1OCC[C@H]1[NH2+]CC1CCC1 657365860 409474167 /nfs/dbraw/zinc/47/41/67/409474167.db2.gz WZZWUWBTQKHQAP-MNOVXSKESA-N 1 0 183.295 1.944 20 0 ADADRO Cc1ncc(C[NH2+]CCC2CC2)n1C 657378867 409474222 /nfs/dbraw/zinc/47/42/22/409474222.db2.gz NBQFGBGYJKAXMZ-UHFFFAOYSA-N 1 0 193.294 1.618 20 0 ADADRO COC(C)(C)C[NH2+]Cc1nc(C)c[nH]1 657376859 409474232 /nfs/dbraw/zinc/47/42/32/409474232.db2.gz KMDDMKMKTAPGNJ-UHFFFAOYSA-N 1 0 197.282 1.233 20 0 ADADRO CN(CCCF)[C@@H](C[NH3+])C1CC1 126742001 409474813 /nfs/dbraw/zinc/47/48/13/409474813.db2.gz PWTGZBUVOZAUQE-VIFPVBQESA-N 1 0 174.263 1.015 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@@H]2CC=CCC2)n1 657367529 409474411 /nfs/dbraw/zinc/47/44/11/409474411.db2.gz PMRLYBMYPZZPNQ-SNVBAGLBSA-N 1 0 191.278 1.916 20 0 ADADRO Cc1c[nH]c(C[NH2+]CCCC2CC2)n1 657363925 409474429 /nfs/dbraw/zinc/47/44/29/409474429.db2.gz DMQPQHYCHCKTTN-UHFFFAOYSA-N 1 0 193.294 1.998 20 0 ADADRO Cc1c[nH]c(C[NH2+]CC2(C)CC2)n1 657387631 409474435 /nfs/dbraw/zinc/47/44/35/409474435.db2.gz RQRAWFOAUWJPBA-UHFFFAOYSA-N 1 0 179.267 1.608 20 0 ADADRO CC[C@@H]1OCC[C@H]1[NH2+]CCCF 657365866 409474447 /nfs/dbraw/zinc/47/44/47/409474447.db2.gz ZQIQZKPLRFXXFL-BDAKNGLRSA-N 1 0 175.247 1.503 20 0 ADADRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCO1 657369595 409474452 /nfs/dbraw/zinc/47/44/52/409474452.db2.gz NKTJBFUJOXSKIB-MXWKQRLJSA-N 1 0 199.294 1.323 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@@H]2CCSC2)n1 657377199 409474454 /nfs/dbraw/zinc/47/44/54/409474454.db2.gz BBKLOHOJAGJSBR-MRVPVSSYSA-N 1 0 197.307 1.313 20 0 ADADRO CC[C@@H](COC)[NH2+]Cc1nc(C)c[nH]1 657370458 409474472 /nfs/dbraw/zinc/47/44/72/409474472.db2.gz HQNVTSLHBWBEOX-VIFPVBQESA-N 1 0 197.282 1.233 20 0 ADADRO Cc1ncc(C[NH2+]CC2(C)CC2)n1C 657387328 409474498 /nfs/dbraw/zinc/47/44/98/409474498.db2.gz ODKYACNHGOBEGV-UHFFFAOYSA-N 1 0 193.294 1.618 20 0 ADADRO CCCC[NH2+][C@@H]1CCO[C@H]1CC 657365842 409474503 /nfs/dbraw/zinc/47/45/03/409474503.db2.gz MJTUZDLSDILYNY-ZJUUUORDSA-N 1 0 171.284 1.944 20 0 ADADRO Cc1nc(C[NH2+]C2CC=CC2)[nH]c1C 657395241 409474585 /nfs/dbraw/zinc/47/45/85/409474585.db2.gz BFYMSARNVCVMKW-UHFFFAOYSA-N 1 0 191.278 1.835 20 0 ADADRO Cc1ncc(C[NH2+]C2CC=CC2)n1C 657396342 409474622 /nfs/dbraw/zinc/47/46/22/409474622.db2.gz RCPODHIKFXNOON-UHFFFAOYSA-N 1 0 191.278 1.537 20 0 ADADRO CCC1(C[NH2+]Cc2nc(C)c[nH]2)CC1 657388665 409474638 /nfs/dbraw/zinc/47/46/38/409474638.db2.gz NJTYHUISRXWVHW-UHFFFAOYSA-N 1 0 193.294 1.998 20 0 ADADRO Cc1c[nH]c(C[NH2+]C2(C3CC3)CC2)n1 657397947 409474658 /nfs/dbraw/zinc/47/46/58/409474658.db2.gz GEKHFQZTERNOFY-UHFFFAOYSA-N 1 0 191.278 1.750 20 0 ADADRO CC(C)(CC[NH3+])NC(=O)CC1CC1 126213713 409474797 /nfs/dbraw/zinc/47/47/97/409474797.db2.gz CCGTUWMTZNKLEU-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CC[C@H](C)C(=O)NC(C)(C)CC[NH3+] 126190592 409474893 /nfs/dbraw/zinc/47/48/93/409474893.db2.gz JITUCPRXUNONIK-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO CC[C@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 126616807 409475040 /nfs/dbraw/zinc/47/50/40/409475040.db2.gz YAOUTBNOIAHOFW-WCBMZHEXSA-N 1 0 198.310 1.228 20 0 ADADRO CC[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C1CC1 126616555 409475064 /nfs/dbraw/zinc/47/50/64/409475064.db2.gz YAOUTBNOIAHOFW-PSASIEDQSA-N 1 0 198.310 1.228 20 0 ADADRO CCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]2C1 126463706 409475114 /nfs/dbraw/zinc/47/51/14/409475114.db2.gz GXVILFJEVXEWRK-TUAOUCFPSA-N 1 0 197.322 1.879 20 0 ADADRO CN(CCCF)[C@H](C[NH3+])C1CC1 126742246 409475237 /nfs/dbraw/zinc/47/52/37/409475237.db2.gz PWTGZBUVOZAUQE-SECBINFHSA-N 1 0 174.263 1.015 20 0 ADADRO CC(C)(CC[NH3+])NC(=O)C1CCCC1 126196522 409475304 /nfs/dbraw/zinc/47/53/04/409475304.db2.gz VBDVUJJTVGPQAS-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO Cc1ncc(C[NH2+]C2(C)CCC2)n1C 657416289 409475318 /nfs/dbraw/zinc/47/53/18/409475318.db2.gz MVHWNMZFPGRLPX-UHFFFAOYSA-N 1 0 193.294 1.761 20 0 ADADRO CC(C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 126617988 409475478 /nfs/dbraw/zinc/47/54/78/409475478.db2.gz XCDPGWZWXRBXSI-JTQLQIEISA-N 1 0 198.310 1.228 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@@H](C)C2CCC2)n1 657416824 409475511 /nfs/dbraw/zinc/47/55/11/409475511.db2.gz HAMYALVQGZNMAD-VIFPVBQESA-N 1 0 193.294 1.996 20 0 ADADRO C[C@H](C(=O)NC(C)(C)CC[NH3+])C1CC1 126215338 409475516 /nfs/dbraw/zinc/47/55/16/409475516.db2.gz DXNOVJNNHMSPQK-QMMMGPOBSA-N 1 0 198.310 1.276 20 0 ADADRO CC/C=C\CC[NH2+][C@@H]1COC[C@@H]1OC 657410565 409475536 /nfs/dbraw/zinc/47/55/36/409475536.db2.gz YUVFKAZHFFLJGW-KWKBKKAHSA-N 1 0 199.294 1.346 20 0 ADADRO CO[C@H](C)C[NH2+]Cc1nc(C)c(C)[nH]1 657448372 409475541 /nfs/dbraw/zinc/47/55/41/409475541.db2.gz YMOQZANLQWXOQS-SSDOTTSWSA-N 1 0 197.282 1.151 20 0 ADADRO CO[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)c[nH]1 657448358 409475550 /nfs/dbraw/zinc/47/55/50/409475550.db2.gz XZRPFZOCYYKRBV-IUCAKERBSA-N 1 0 197.282 1.231 20 0 ADADRO CC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1 126386428 409475554 /nfs/dbraw/zinc/47/55/54/409475554.db2.gz APWFOIIBCPMQMY-NXEZZACHSA-N 1 0 167.252 1.307 20 0 ADADRO Cc1c[nH]c(C[NH2+]CCC2(C)CC2)n1 657452208 409475584 /nfs/dbraw/zinc/47/55/84/409475584.db2.gz ASCAXPDYCOJPQX-UHFFFAOYSA-N 1 0 193.294 1.998 20 0 ADADRO CC[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 126616074 409475625 /nfs/dbraw/zinc/47/56/25/409475625.db2.gz YAOUTBNOIAHOFW-SCZZXKLOSA-N 1 0 198.310 1.228 20 0 ADADRO CCC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@H]2C1 126463889 409475636 /nfs/dbraw/zinc/47/56/36/409475636.db2.gz GXVILFJEVXEWRK-GRYCIOLGSA-N 1 0 197.322 1.879 20 0 ADADRO CCCC(C)(C)NC(=O)[C@H]([NH3+])CC 126195667 409475733 /nfs/dbraw/zinc/47/57/33/409475733.db2.gz XALPDOYYNKHUOA-MRVPVSSYSA-N 1 0 186.299 1.419 20 0 ADADRO Cc1c[nH]c(C[NH2+]C2(C)CCC2)n1 657415182 409475745 /nfs/dbraw/zinc/47/57/45/409475745.db2.gz AVOSFIOOVNAPJY-UHFFFAOYSA-N 1 0 179.267 1.750 20 0 ADADRO CC/C=C/CC[NH2+][C@@H]1COC[C@@H]1OC 657410566 409475757 /nfs/dbraw/zinc/47/57/57/409475757.db2.gz YUVFKAZHFFLJGW-ZJRFNNFUSA-N 1 0 199.294 1.346 20 0 ADADRO CCC[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 126464133 409475785 /nfs/dbraw/zinc/47/57/85/409475785.db2.gz GXVILFJEVXEWRK-UTUOFQBUSA-N 1 0 197.322 1.879 20 0 ADADRO CC(C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 126618236 409475878 /nfs/dbraw/zinc/47/58/78/409475878.db2.gz XCDPGWZWXRBXSI-SNVBAGLBSA-N 1 0 198.310 1.228 20 0 ADADRO CCCCC(=O)N(C)[C@@H](C[NH3+])C1CC1 126610948 409475893 /nfs/dbraw/zinc/47/58/93/409475893.db2.gz JXELAKMYPLNNOI-JTQLQIEISA-N 1 0 198.310 1.372 20 0 ADADRO CCCCC(=O)NC(C)(C)CC[NH3+] 126197523 409475933 /nfs/dbraw/zinc/47/59/33/409475933.db2.gz YKDNNPAYMUVWFQ-UHFFFAOYSA-N 1 0 186.299 1.420 20 0 ADADRO CCCCC(=O)N(C)[C@H](C[NH3+])C1CC1 126611191 409475994 /nfs/dbraw/zinc/47/59/94/409475994.db2.gz JXELAKMYPLNNOI-SNVBAGLBSA-N 1 0 198.310 1.372 20 0 ADADRO CC(C)=CC[NH2+]Cc1nc(C)c[nH]1 657448468 409475999 /nfs/dbraw/zinc/47/59/99/409475999.db2.gz PQSMYSCJHKBZLE-UHFFFAOYSA-N 1 0 179.267 1.774 20 0 ADADRO CC(=O)C[N@H+]1C[C@H]2CCC[C@H]2C1 126386201 409476020 /nfs/dbraw/zinc/47/60/20/409476020.db2.gz APWFOIIBCPMQMY-AOOOYVTPSA-N 1 0 167.252 1.307 20 0 ADADRO CC[C@@H](C)C(=O)NC(C)(C)CC[NH3+] 126190380 409476042 /nfs/dbraw/zinc/47/60/42/409476042.db2.gz JITUCPRXUNONIK-MRVPVSSYSA-N 1 0 186.299 1.276 20 0 ADADRO CC(C)(CC[NH3+])NC(=O)C1CCC1 126216981 409476053 /nfs/dbraw/zinc/47/60/53/409476053.db2.gz QMKQOQYCRUEMPX-UHFFFAOYSA-N 1 0 184.283 1.030 20 0 ADADRO CO[C@@H](C)C[NH2+]Cc1nc(C)c(C)[nH]1 657448374 409476067 /nfs/dbraw/zinc/47/60/67/409476067.db2.gz YMOQZANLQWXOQS-ZETCQYMHSA-N 1 0 197.282 1.151 20 0 ADADRO CC[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C1CC1 126616311 409476141 /nfs/dbraw/zinc/47/61/41/409476141.db2.gz YAOUTBNOIAHOFW-WPRPVWTQSA-N 1 0 198.310 1.228 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@H](C)C2CCC2)n1 657416823 409476182 /nfs/dbraw/zinc/47/61/82/409476182.db2.gz HAMYALVQGZNMAD-SECBINFHSA-N 1 0 193.294 1.996 20 0 ADADRO CCCCC[NH2+][C@@H]1COC[C@@H]1OC 657407859 409476379 /nfs/dbraw/zinc/47/63/79/409476379.db2.gz WFFZVPROZJJRCC-ZJUUUORDSA-N 1 0 187.283 1.180 20 0 ADADRO FCCC[NH2+]Cc1cnc2n1CCC2 657399326 409476366 /nfs/dbraw/zinc/47/63/66/409476366.db2.gz HPFNPWNRFSPKBP-UHFFFAOYSA-N 1 0 197.257 1.279 20 0 ADADRO C[C@@H](C(=O)NC(C)(C)CC[NH3+])C1CC1 126215548 409476388 /nfs/dbraw/zinc/47/63/88/409476388.db2.gz DXNOVJNNHMSPQK-MRVPVSSYSA-N 1 0 198.310 1.276 20 0 ADADRO CC(C)(CC[NH3+])NC(=O)c1ccoc1 126213476 409476408 /nfs/dbraw/zinc/47/64/08/409476408.db2.gz BTGGAZYHAYZSEF-UHFFFAOYSA-N 1 0 196.250 1.137 20 0 ADADRO CC(C)=CC[NH2+]Cc1cnc(C)n1C 657448481 409476419 /nfs/dbraw/zinc/47/64/19/409476419.db2.gz QHZFEZUXDZYWHS-UHFFFAOYSA-N 1 0 193.294 1.784 20 0 ADADRO CC(C)(CC[NH3+])NC(=O)c1ccco1 126211757 409476423 /nfs/dbraw/zinc/47/64/23/409476423.db2.gz XHTFBIIURKEMSD-UHFFFAOYSA-N 1 0 196.250 1.137 20 0 ADADRO CC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1 126386621 409476444 /nfs/dbraw/zinc/47/64/44/409476444.db2.gz APWFOIIBCPMQMY-UWVGGRQHSA-N 1 0 167.252 1.307 20 0 ADADRO Cc1c[nH]c(C[NH2+]CCOC(C)C)n1 657434224 409476446 /nfs/dbraw/zinc/47/64/46/409476446.db2.gz ASHBSKHDFVBPFS-UHFFFAOYSA-N 1 0 197.282 1.233 20 0 ADADRO CC(C)C[NH2+][C@@H]1CCC[C@@H]1CO 127699759 409476783 /nfs/dbraw/zinc/47/67/83/409476783.db2.gz IGEHCINPJQPSTR-NXEZZACHSA-N 1 0 171.284 1.393 20 0 ADADRO CC/C=C\C[NH2+]Cc1cnc(C)n1C 657478733 409476891 /nfs/dbraw/zinc/47/68/91/409476891.db2.gz DRZZXXSIUSOXQQ-WAYWQWQTSA-N 1 0 193.294 1.784 20 0 ADADRO C[C@H](CF)[NH2+]Cc1cnn2c1CCC2 657467087 409476903 /nfs/dbraw/zinc/47/69/03/409476903.db2.gz WRUBYUXVCRXRCL-MRVPVSSYSA-N 1 0 197.257 1.277 20 0 ADADRO CC[C@@H]1C[C@H]([NH2+][C@H](C)CF)CO1 657466877 409476942 /nfs/dbraw/zinc/47/69/42/409476942.db2.gz RKELQQHEXLBBEL-HRDYMLBCSA-N 1 0 175.247 1.502 20 0 ADADRO CCC=CC[NH2+]Cc1nc(C)c[nH]1 657480077 409477028 /nfs/dbraw/zinc/47/70/28/409477028.db2.gz QFMNPOLSLHYLJE-SNAWJCMRSA-N 1 0 179.267 1.774 20 0 ADADRO Cc1[nH+]c2c(n1CCCO)CCCC2 127361466 409477044 /nfs/dbraw/zinc/47/70/44/409477044.db2.gz KLRPMKLHRKGWPI-UHFFFAOYSA-N 1 0 194.278 1.453 20 0 ADADRO CCC1([NH2+]Cc2nc(C)c[nH]2)CC1 657478379 409477057 /nfs/dbraw/zinc/47/70/57/409477057.db2.gz INQGSPCXPJTELV-UHFFFAOYSA-N 1 0 179.267 1.750 20 0 ADADRO CC(C)[C@H](O)C[N@H+](C)C1CCC1 127726156 409477106 /nfs/dbraw/zinc/47/71/06/409477106.db2.gz ULIGQJAAWGDZEO-SNVBAGLBSA-N 1 0 171.284 1.488 20 0 ADADRO CC[C@@H](C[NH2+]Cc1nc(C)c[nH]1)OC 657471003 409477128 /nfs/dbraw/zinc/47/71/28/409477128.db2.gz XXKAGXXLGHZFMD-VIFPVBQESA-N 1 0 197.282 1.233 20 0 ADADRO Cc1ncc(C[NH2+][C@@H](C)CF)n1C 657466616 409477211 /nfs/dbraw/zinc/47/72/11/409477211.db2.gz KNZZGCMVTMHAKO-ZETCQYMHSA-N 1 0 185.246 1.176 20 0 ADADRO CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 126786985 409477214 /nfs/dbraw/zinc/47/72/14/409477214.db2.gz LQFDJMDGMABMLC-DCAQKATOSA-N 1 0 195.306 1.944 20 0 ADADRO CCC=CC[NH2+]Cc1nc(C)c[nH]1 657480075 409477233 /nfs/dbraw/zinc/47/72/33/409477233.db2.gz QFMNPOLSLHYLJE-PLNGDYQASA-N 1 0 179.267 1.774 20 0 ADADRO CC[C@H](C[NH2+]Cc1nc(C)c[nH]1)OC 657471002 409477330 /nfs/dbraw/zinc/47/73/30/409477330.db2.gz XXKAGXXLGHZFMD-SECBINFHSA-N 1 0 197.282 1.233 20 0 ADADRO CCC[C@](C)([NH3+])C(=O)N(C)C1CCC1 127379863 409477421 /nfs/dbraw/zinc/47/74/21/409477421.db2.gz UAEYXBUGGXQHCG-NSHDSACASA-N 1 0 198.310 1.515 20 0 ADADRO CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 126786771 409477472 /nfs/dbraw/zinc/47/74/72/409477472.db2.gz LQFDJMDGMABMLC-AXFHLTTASA-N 1 0 195.306 1.944 20 0 ADADRO CC(C)[C@@H](O)C[N@H+](C)C1CCC1 127726392 409477483 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CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CF)CO1 657466876 409478001 /nfs/dbraw/zinc/47/80/01/409478001.db2.gz RKELQQHEXLBBEL-DJLDLDEBSA-N 1 0 175.247 1.502 20 0 ADADRO C[C@H](CF)[NH2+]Cc1cnc2n1CCC2 657466401 409478016 /nfs/dbraw/zinc/47/80/16/409478016.db2.gz IGFQCOHSAGXRKU-MRVPVSSYSA-N 1 0 197.257 1.277 20 0 ADADRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CF)CO1 657466879 409478030 /nfs/dbraw/zinc/47/80/30/409478030.db2.gz RKELQQHEXLBBEL-IWSPIJDZSA-N 1 0 175.247 1.502 20 0 ADADRO CC[C@@H]1C[C@H]1C[NH2+]Cc1nc(C)c[nH]1 657481407 409478227 /nfs/dbraw/zinc/47/82/27/409478227.db2.gz OYLVMURBGOFVRF-ZJUUUORDSA-N 1 0 193.294 1.854 20 0 ADADRO CCC[C@H](O)C[N@H+](C)C1CCC1 127730195 409478264 /nfs/dbraw/zinc/47/82/64/409478264.db2.gz LXFPMEJCTDGHJA-JTQLQIEISA-N 1 0 171.284 1.632 20 0 ADADRO C[NH2+]CCCn1cnc2c1CCCC2 126918383 409478314 /nfs/dbraw/zinc/47/83/14/409478314.db2.gz GGDCQZAZBOOMLH-UHFFFAOYSA-N 1 0 193.294 1.371 20 0 ADADRO CC(C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 126806129 409478335 /nfs/dbraw/zinc/47/83/35/409478335.db2.gz YMLRUOLSDYUPHY-DCAQKATOSA-N 1 0 195.306 1.942 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 657471005 409478343 /nfs/dbraw/zinc/47/83/43/409478343.db2.gz XZRPFZOCYYKRBV-BDAKNGLRSA-N 1 0 197.282 1.231 20 0 ADADRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CF)CO1 657466880 409478358 /nfs/dbraw/zinc/47/83/58/409478358.db2.gz RKELQQHEXLBBEL-XHNCKOQMSA-N 1 0 175.247 1.502 20 0 ADADRO CCC1([NH2+]Cc2cnc(C)n2C)CC1 657478673 409478384 /nfs/dbraw/zinc/47/83/84/409478384.db2.gz MBPDZWYFMVBJCZ-UHFFFAOYSA-N 1 0 193.294 1.761 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 657471006 409478454 /nfs/dbraw/zinc/47/84/54/409478454.db2.gz XZRPFZOCYYKRBV-RKDXNWHRSA-N 1 0 197.282 1.231 20 0 ADADRO C1CC2(C1)[C@H]1OCC[C@H]1[C@H]2[NH2+]C1CC1 126792332 409478531 /nfs/dbraw/zinc/47/85/31/409478531.db2.gz VVTQCSFNPHOOGU-AXFHLTTASA-N 1 0 193.290 1.696 20 0 ADADRO CCC[C@@H](O)C[N@H+](C)C1CCC1 127730441 409478631 /nfs/dbraw/zinc/47/86/31/409478631.db2.gz LXFPMEJCTDGHJA-SNVBAGLBSA-N 1 0 171.284 1.632 20 0 ADADRO Cn1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c1 127271836 409478731 /nfs/dbraw/zinc/47/87/31/409478731.db2.gz ZWJWGCNHOMOSSH-QWRGUYRKSA-N 1 0 194.278 1.028 20 0 ADADRO C1CC2(C1)[C@@H]([NH2+]C1CC1)[C@@H]1CCO[C@@H]12 126792556 409478739 /nfs/dbraw/zinc/47/87/39/409478739.db2.gz VVTQCSFNPHOOGU-DCAQKATOSA-N 1 0 193.290 1.696 20 0 ADADRO CCC(CC)C[N@H+](C)C[C@@H](C)O 128351966 409478747 /nfs/dbraw/zinc/47/87/47/409478747.db2.gz XFOROEIMJONSNP-SECBINFHSA-N 1 0 173.300 1.735 20 0 ADADRO Cn1cc(C[NH2+][C@]23CCC[C@H]2C3)cn1 657550324 409478869 /nfs/dbraw/zinc/47/88/69/409478869.db2.gz ICJPWHRQHTVWRW-QWRGUYRKSA-N 1 0 191.278 1.452 20 0 ADADRO CC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)CO1 657489783 409478918 /nfs/dbraw/zinc/47/89/18/409478918.db2.gz WKIWIZHACDPUNG-UKKRHICBSA-N 1 0 199.294 1.057 20 0 ADADRO CCC(CC)Cn1cc(C[NH2+]C)nn1 128366520 409478928 /nfs/dbraw/zinc/47/89/28/409478928.db2.gz IYCZYZHGHFVTTF-UHFFFAOYSA-N 1 0 196.298 1.434 20 0 ADADRO 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657550138 409479408 /nfs/dbraw/zinc/47/94/08/409479408.db2.gz GWGUBOAVYBHJMJ-WPRPVWTQSA-N 1 0 177.251 1.442 20 0 ADADRO Cn1ccnc1C[NH2+][C@@]12CCC[C@@H]1C2 657550072 409479168 /nfs/dbraw/zinc/47/91/68/409479168.db2.gz GRHIRVOEROQPIQ-MWLCHTKSSA-N 1 0 191.278 1.452 20 0 ADADRO Cn1cc(C[NH2+][C@@]23CCC[C@@H]2C3)cn1 657550322 409479251 /nfs/dbraw/zinc/47/92/51/409479251.db2.gz ICJPWHRQHTVWRW-GHMZBOCLSA-N 1 0 191.278 1.452 20 0 ADADRO Cc1c[nH]c(C[NH2+]C2(C)CC=CC2)n1 657505952 409479306 /nfs/dbraw/zinc/47/93/06/409479306.db2.gz XLTSUXUSYRNDQL-UHFFFAOYSA-N 1 0 191.278 1.916 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1C[C@H]1C 657539162 409479386 /nfs/dbraw/zinc/47/93/86/409479386.db2.gz UCPXRCFUXDRWGO-IYKVGLELSA-N 1 0 197.322 1.924 20 0 ADADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)CO1 657489780 409479500 /nfs/dbraw/zinc/47/95/00/409479500.db2.gz WKIWIZHACDPUNG-GWOFURMSSA-N 1 0 199.294 1.057 20 0 ADADRO CC1(C)CC[C@H]([NH2+]CCNC2CC2)C1 129525611 409479537 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1.892 20 0 ADADRO CCC[C@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 132545920 409488659 /nfs/dbraw/zinc/48/86/59/409488659.db2.gz SWFPXMVTSRUDIL-UWVGGRQHSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCOC1 132068708 409488698 /nfs/dbraw/zinc/48/86/98/409488698.db2.gz ITRSHVWYQLCVRJ-AXFHLTTASA-N 1 0 199.294 1.180 20 0 ADADRO C[C@H]1[C@@H](C)SCC[N@H+]1C[C@@H](C)O 132619552 409488728 /nfs/dbraw/zinc/48/87/28/409488728.db2.gz FYTHVRCEKLWRRP-HRDYMLBCSA-N 1 0 189.324 1.193 20 0 ADADRO C[C@@H](C[NH2+]Cc1cnccn1)C1CC1 132516132 409488904 /nfs/dbraw/zinc/48/89/04/409488904.db2.gz OYWMVMQUPULRPV-VIFPVBQESA-N 1 0 191.278 1.612 20 0 ADADRO C[C@@H]1SCC[N@@H+](C[C@@H](C)O)[C@H]1C 132619135 409488961 /nfs/dbraw/zinc/48/89/61/409488961.db2.gz FYTHVRCEKLWRRP-VGMNWLOBSA-N 1 0 189.324 1.193 20 0 ADADRO C[C@@H](CO)C[NH2+][C@H](C)C(C)(C)C 132647523 409489030 /nfs/dbraw/zinc/48/90/30/409489030.db2.gz SCGFISBMDLRISS-RKDXNWHRSA-N 1 0 173.300 1.639 20 0 ADADRO C[C@H]([NH2+]C[C@H]1CCCO1)C1CCC1 132069944 409489110 /nfs/dbraw/zinc/48/91/10/409489110.db2.gz IIYDFTZOUBAWAF-GXSJLCMTSA-N 1 0 183.295 1.944 20 0 ADADRO CC[C@@H](C)C(=O)N[C@](C)(C[NH3+])C1CC1 132688186 409489133 /nfs/dbraw/zinc/48/91/33/409489133.db2.gz RVFDAKYYLZMGFW-LDYMZIIASA-N 1 0 198.310 1.276 20 0 ADADRO C[NH2+][C@@H]1CCN(C(=O)CCC(C)C)C1 132583865 409489140 /nfs/dbraw/zinc/48/91/40/409489140.db2.gz RMDBXQVEQOFIII-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@@H]1SCC[N@@H+](C[C@@H](C)O)[C@@H]1C 132618948 409489147 /nfs/dbraw/zinc/48/91/47/409489147.db2.gz FYTHVRCEKLWRRP-HLTSFMKQSA-N 1 0 189.324 1.193 20 0 ADADRO C[C@H](CO)C[NH2+][C@H](C)C(C)(C)C 132647334 409489193 /nfs/dbraw/zinc/48/91/93/409489193.db2.gz SCGFISBMDLRISS-DTWKUNHWSA-N 1 0 173.300 1.639 20 0 ADADRO CCCCCC(=O)N1CC[C@H]([NH2+]C)C1 132575625 409489286 /nfs/dbraw/zinc/48/92/86/409489286.db2.gz DZBOFZJFYAYFRI-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CC1 132222178 409489317 /nfs/dbraw/zinc/48/93/17/409489317.db2.gz NXLSRDFNXBTACZ-IWSPIJDZSA-N 1 0 171.284 1.798 20 0 ADADRO CC[C@H](C)N(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] 132535791 409489353 /nfs/dbraw/zinc/48/93/53/409489353.db2.gz BDJOYHWSGDKVEL-XHNCKOQMSA-N 1 0 186.299 1.227 20 0 ADADRO OC[C@@H](C[NH2+]C1CCCC1)CC1CC1 657704498 409489358 /nfs/dbraw/zinc/48/93/58/409489358.db2.gz GNFQNOCLNRVDEQ-LLVKDONJSA-N 1 0 197.322 1.927 20 0 ADADRO CCCCCC(=O)N1CC[C@@H]([NH2+]C)C1 132575806 409489378 /nfs/dbraw/zinc/48/93/78/409489378.db2.gz DZBOFZJFYAYFRI-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO CC[C@H]([NH2+]Cc1nc(C)c[nH]1)C1CC1 657680214 409489379 /nfs/dbraw/zinc/48/93/79/409489379.db2.gz HMIKBJGHUVGCER-JTQLQIEISA-N 1 0 193.294 1.996 20 0 ADADRO OC[C@@H](C[NH2+]CC1CC1)CC1CC1 657701088 409489387 /nfs/dbraw/zinc/48/93/87/409489387.db2.gz VHAUPRQEXHOXTA-LLVKDONJSA-N 1 0 183.295 1.395 20 0 ADADRO CC1(C[NH2+]C[C@@H](CO)CC2CC2)CC1 657714194 409489404 /nfs/dbraw/zinc/48/94/04/409489404.db2.gz HHEPVVNPAZRSEV-NSHDSACASA-N 1 0 197.322 1.785 20 0 ADADRO C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 132095595 409489406 /nfs/dbraw/zinc/48/94/06/409489406.db2.gz XPHHELHEXMTSKT-GUBZILKMSA-N 1 0 171.284 1.345 20 0 ADADRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)C1CC1 132221777 409489424 /nfs/dbraw/zinc/48/94/24/409489424.db2.gz NXLSRDFNXBTACZ-DJLDLDEBSA-N 1 0 171.284 1.798 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC1 132221981 409489429 /nfs/dbraw/zinc/48/94/29/409489429.db2.gz NXLSRDFNXBTACZ-HRDYMLBCSA-N 1 0 171.284 1.798 20 0 ADADRO CC(C)([NH3+])CNC(=O)CC1CCCC1 132470309 409489474 /nfs/dbraw/zinc/48/94/74/409489474.db2.gz BBYJNHKBQPHYAX-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO OC[C@H](C[NH2+]CC1CC1)CC1CC1 657701089 409489486 /nfs/dbraw/zinc/48/94/86/409489486.db2.gz VHAUPRQEXHOXTA-NSHDSACASA-N 1 0 183.295 1.395 20 0 ADADRO C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)C1CC1 657700072 409489492 /nfs/dbraw/zinc/48/94/92/409489492.db2.gz LAXYNFVCNROVAJ-KOLCDFICSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@@H]([NH2+]C[C@H](CO)CC1CC1)C1CC1 657700073 409489504 /nfs/dbraw/zinc/48/95/04/409489504.db2.gz LAXYNFVCNROVAJ-MWLCHTKSSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@H]([NH2+]C[C@H](CO)CC1CC1)C1CC1 657700070 409489516 /nfs/dbraw/zinc/48/95/16/409489516.db2.gz LAXYNFVCNROVAJ-GXSJLCMTSA-N 1 0 197.322 1.783 20 0 ADADRO CC[C@@H]([NH2+]Cc1[nH]ncc1C)C1CC1 657680227 409489545 /nfs/dbraw/zinc/48/95/45/409489545.db2.gz HTMRZHQVGHSKMQ-SNVBAGLBSA-N 1 0 193.294 1.996 20 0 ADADRO CCC[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 132546123 409489550 /nfs/dbraw/zinc/48/95/50/409489550.db2.gz SWFPXMVTSRUDIL-NXEZZACHSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@@H]([NH2+]C[C@H]1CCCO1)C1CCC1 132070145 409489559 /nfs/dbraw/zinc/48/95/59/409489559.db2.gz IIYDFTZOUBAWAF-MWLCHTKSSA-N 1 0 183.295 1.944 20 0 ADADRO Cc1n[nH]c(C)c1C[NH2+]C1CC=CC1 132541705 409489587 /nfs/dbraw/zinc/48/95/87/409489587.db2.gz SMNZOAOCHMSDOT-UHFFFAOYSA-N 1 0 191.278 1.835 20 0 ADADRO C[C@H]([NH2+]C[C@@H](CO)CC1CC1)C1CC1 657700075 409489594 /nfs/dbraw/zinc/48/95/94/409489594.db2.gz LAXYNFVCNROVAJ-ONGXEEELSA-N 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657704500 409489791 /nfs/dbraw/zinc/48/97/91/409489791.db2.gz GNFQNOCLNRVDEQ-NSHDSACASA-N 1 0 197.322 1.927 20 0 ADADRO C[NH2+][C@H]1CCN(C(=O)CCC(C)C)C1 132583665 409489835 /nfs/dbraw/zinc/48/98/35/409489835.db2.gz RMDBXQVEQOFIII-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO C(C[NH2+][C@@H]1CCOC1)CC1CCC1 657666336 409489847 /nfs/dbraw/zinc/48/98/47/409489847.db2.gz IZAIBAAWKQJKOQ-LLVKDONJSA-N 1 0 183.295 1.945 20 0 ADADRO CCC[C@@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 132545734 409489860 /nfs/dbraw/zinc/48/98/60/409489860.db2.gz SWFPXMVTSRUDIL-ZJUUUORDSA-N 1 0 198.310 1.243 20 0 ADADRO CC(C)C[NH2+]C[C@H](CO)CC1CC1 657703406 409489890 /nfs/dbraw/zinc/48/98/90/409489890.db2.gz AVVHSMPVRGGXCI-LLVKDONJSA-N 1 0 185.311 1.641 20 0 ADADRO CC1(C[NH2+]C[C@H](CO)CC2CC2)CC1 657714193 409489950 /nfs/dbraw/zinc/48/99/50/409489950.db2.gz HHEPVVNPAZRSEV-LLVKDONJSA-N 1 0 197.322 1.785 20 0 ADADRO CCc1cc(CC)n(CC[NH+](C)C)n1 132636406 409489963 /nfs/dbraw/zinc/48/99/63/409489963.db2.gz AHQMYFGNUAOMGZ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/49/33/06/409493306.db2.gz RFECFMKMCXOYIH-DBIOUOCHSA-N 1 0 199.294 1.321 20 0 ADADRO c1coc(CCC[NH2+][C@@H]2CCOC2)c1 657781655 409493336 /nfs/dbraw/zinc/49/33/36/409493336.db2.gz FTKLHYNVZLMCAH-SNVBAGLBSA-N 1 0 195.262 1.591 20 0 ADADRO CC1(C)C[C@@]1(C)[NH2+]Cc1cc[nH]n1 657761496 409493354 /nfs/dbraw/zinc/49/33/54/409493354.db2.gz MFXFACFMHGWQOS-SNVBAGLBSA-N 1 0 179.267 1.688 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]CC1=CCCOC1 657788449 409493434 /nfs/dbraw/zinc/49/34/34/409493434.db2.gz QHZMMGPLSRELJO-MNOVXSKESA-N 1 0 197.278 1.100 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccnc1 657788005 409493450 /nfs/dbraw/zinc/49/34/50/409493450.db2.gz FYMNPYQEUAMXPD-MNOVXSKESA-N 1 0 192.262 1.349 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1C 657787931 409493536 /nfs/dbraw/zinc/49/35/36/409493536.db2.gz CLHMNSIXMNXHKH-DBIOUOCHSA-N 1 0 183.295 1.942 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 657788168 409493544 /nfs/dbraw/zinc/49/35/44/409493544.db2.gz IBAFURJSKLXWEN-YTWAJWBKSA-N 1 0 183.295 1.942 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]CC(C)C 657789045 409493569 /nfs/dbraw/zinc/49/35/69/409493569.db2.gz NTQIGBVLIWVDEA-BDAKNGLRSA-N 1 0 157.257 1.409 20 0 ADADRO C[C@@H]1OCC[C@H]1[NH2+][C@@]1(C)CC1(C)C 657761625 409493595 /nfs/dbraw/zinc/49/35/95/409493595.db2.gz PLICHVJLCFLYIY-NGZCFLSTSA-N 1 0 183.295 1.942 20 0 ADADRO Cn1cc(C[NH2+][C@]2(C)CC2(C)C)cn1 657761554 409493628 /nfs/dbraw/zinc/49/36/28/409493628.db2.gz NONDXFRRGVJUHI-LLVKDONJSA-N 1 0 193.294 1.698 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)no1 133332843 409493667 /nfs/dbraw/zinc/49/36/67/409493667.db2.gz DSCSUVYQJRKTPV-RKDXNWHRSA-N 1 0 198.266 1.496 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@H]1C 657789466 409493745 /nfs/dbraw/zinc/49/37/45/409493745.db2.gz FFGONNDVSNPBDY-QGKZMRNZSA-N 1 0 199.294 1.319 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCO[C@H](C)C1 657788513 409493753 /nfs/dbraw/zinc/49/37/53/409493753.db2.gz RFECFMKMCXOYIH-YTWAJWBKSA-N 1 0 199.294 1.321 20 0 ADADRO C[C@@H]1OCC[C@@H]1[NH2+][C@]1(C)CC1(C)C 657761623 409493762 /nfs/dbraw/zinc/49/37/62/409493762.db2.gz PLICHVJLCFLYIY-ATZCPNFKSA-N 1 0 183.295 1.942 20 0 ADADRO c1coc(CCC[NH2+][C@H]2CCOC2)c1 657781654 409493783 /nfs/dbraw/zinc/49/37/83/409493783.db2.gz FTKLHYNVZLMCAH-JTQLQIEISA-N 1 0 195.262 1.591 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]CC1(C)CC1 657789162 409493824 /nfs/dbraw/zinc/49/38/24/409493824.db2.gz ANSQTXALXYCFBS-SCZZXKLOSA-N 1 0 169.268 1.554 20 0 ADADRO Cn1ccc(C[NH2+][C@]2(C)CC2(C)C)n1 657761675 409493867 /nfs/dbraw/zinc/49/38/67/409493867.db2.gz QUQFGYYGCNSESM-LLVKDONJSA-N 1 0 193.294 1.698 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@]2(C)CC2(C)C)n1 657761562 409493907 /nfs/dbraw/zinc/49/39/07/409493907.db2.gz NVZRCPCDMAWBBJ-LLVKDONJSA-N 1 0 193.294 1.996 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cncs1 657788765 409493941 /nfs/dbraw/zinc/49/39/41/409493941.db2.gz VWDKJPPTPNDRGS-BDAKNGLRSA-N 1 0 198.291 1.410 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccn1C 657788231 409493956 /nfs/dbraw/zinc/49/39/56/409493956.db2.gz LNPCRLBIBDPSGK-MNOVXSKESA-N 1 0 194.278 1.292 20 0 ADADRO Cn1cc(C[NH2+][C@]2(C)CC2(C)C)nn1 657762202 409493962 /nfs/dbraw/zinc/49/39/62/409493962.db2.gz XNWREIUUIQWTOG-SNVBAGLBSA-N 1 0 194.282 1.093 20 0 ADADRO Cn1cncc1C[NH2+][C@@]1(C)CC1(C)C 657761634 409493970 /nfs/dbraw/zinc/49/39/70/409493970.db2.gz PTNPBXRDDJNKJE-NSHDSACASA-N 1 0 193.294 1.698 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccco1 657789251 409493979 /nfs/dbraw/zinc/49/39/79/409493979.db2.gz NWCJQQMHUWEHPP-ZJUUUORDSA-N 1 0 181.235 1.547 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC2(C)C)CO1 657761470 409493989 /nfs/dbraw/zinc/49/39/89/409493989.db2.gz LHYWFALUCTZXRC-KKZNHRDASA-N 1 0 183.295 1.942 20 0 ADADRO Cn1ccc(C[NH2+][C@@]2(C)CC2(C)C)n1 657761676 409494049 /nfs/dbraw/zinc/49/40/49/409494049.db2.gz QUQFGYYGCNSESM-NSHDSACASA-N 1 0 193.294 1.698 20 0 ADADRO Cc1c[nH]c(C[NH2+][C@@]2(C)CC2(C)C)n1 657761563 409494035 /nfs/dbraw/zinc/49/40/35/409494035.db2.gz NVZRCPCDMAWBBJ-NSHDSACASA-N 1 0 193.294 1.996 20 0 ADADRO Cn1cc(C[NH2+][C@@]2(C)CC2(C)C)cn1 657761555 409494113 /nfs/dbraw/zinc/49/41/13/409494113.db2.gz NONDXFRRGVJUHI-NSHDSACASA-N 1 0 193.294 1.698 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)O[C@H]1C 657789463 409494127 /nfs/dbraw/zinc/49/41/27/409494127.db2.gz FFGONNDVSNPBDY-DAWVFNFOSA-N 1 0 199.294 1.319 20 0 ADADRO CC[C@@H](C)C[NH2+][C@@H]1C[C@]1(C)OC 657788315 409494139 /nfs/dbraw/zinc/49/41/39/409494139.db2.gz NQWOKLIGSHVQSS-BBBLOLIVSA-N 1 0 171.284 1.800 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[C@H](C)C1 657788169 409494143 /nfs/dbraw/zinc/49/41/43/409494143.db2.gz IBAFURJSKLXWEN-ZDCRXTMVSA-N 1 0 183.295 1.942 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc[nH]c1 657788203 409494239 /nfs/dbraw/zinc/49/42/39/409494239.db2.gz KMESPTDZMNERJH-ZJUUUORDSA-N 1 0 180.251 1.282 20 0 ADADRO CC1(C)C[C@]1(C)[NH2+]Cc1cc[nH]n1 657761495 409494252 /nfs/dbraw/zinc/49/42/52/409494252.db2.gz MFXFACFMHGWQOS-JTQLQIEISA-N 1 0 179.267 1.688 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1 657789739 409494266 /nfs/dbraw/zinc/49/42/66/409494266.db2.gz RXCJOWGGAPZBLW-NEPJUHHUSA-N 1 0 191.274 1.954 20 0 ADADRO Cn1cc(C[NH2+][C@@]2(C)CC2(C)C)nn1 657762201 409494281 /nfs/dbraw/zinc/49/42/81/409494281.db2.gz XNWREIUUIQWTOG-JTQLQIEISA-N 1 0 194.282 1.093 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)C1CC1 657788329 409494290 /nfs/dbraw/zinc/49/42/90/409494290.db2.gz OAMSSNFMTDHAES-SFGNSQDASA-N 1 0 169.268 1.552 20 0 ADADRO C[C@@H]1C[C@H]([NH2+][C@]2(C)CC2(C)C)CO1 657761471 409494343 /nfs/dbraw/zinc/49/43/43/409494343.db2.gz LHYWFALUCTZXRC-WCABBAIRSA-N 1 0 183.295 1.942 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccncc1 657789313 409494362 /nfs/dbraw/zinc/49/43/62/409494362.db2.gz OJPMKAUKEXJVFO-MNOVXSKESA-N 1 0 192.262 1.349 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)C1CC1 657788327 409494391 /nfs/dbraw/zinc/49/43/91/409494391.db2.gz OAMSSNFMTDHAES-QNSHHTMESA-N 1 0 169.268 1.552 20 0 ADADRO Cc1noc(C)c1CN(C)CCC[NH3+] 133211931 409494435 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/nfs/dbraw/zinc/49/80/48/409498048.db2.gz LHIPXLWDNKHWFJ-UTINFBMNSA-N 1 0 169.268 1.288 20 0 ADADRO O[C@H]1C[C@H]([NH2+]C2CCCCC2)C1 657809265 409498062 /nfs/dbraw/zinc/49/80/62/409498062.db2.gz HZXVOFQTGPVVHO-MGCOHNPYSA-N 1 0 169.268 1.432 20 0 ADADRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H](O)C2)C1 657809913 409498111 /nfs/dbraw/zinc/49/81/11/409498111.db2.gz UGMSUZYRCNFMLU-WRWGMCAJSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](O)C2)C1 657809462 409498117 /nfs/dbraw/zinc/49/81/17/409498117.db2.gz LHIPXLWDNKHWFJ-JXUBOQSCSA-N 1 0 169.268 1.288 20 0 ADADRO O[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 657809567 409498130 /nfs/dbraw/zinc/49/81/30/409498130.db2.gz KNVKXALQRMHDFX-XYPYZODXSA-N 1 0 183.295 1.680 20 0 ADADRO C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)C1 657809464 409498199 /nfs/dbraw/zinc/49/81/99/409498199.db2.gz LHIPXLWDNKHWFJ-XKNYDFJKSA-N 1 0 169.268 1.288 20 0 ADADRO Cc1ccncc1C[NH2+][C@H]1C[C@H](O)C1 657809701 409498224 /nfs/dbraw/zinc/49/82/24/409498224.db2.gz OVATVQIBHFRMHY-XYPYZODXSA-N 1 0 192.262 1.003 20 0 ADADRO CC[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 134030985 409498238 /nfs/dbraw/zinc/49/82/38/409498238.db2.gz SDWRJDCZYANDRO-MNOVXSKESA-N 1 0 185.311 1.735 20 0 ADADRO Cc1ncccc1C[NH2+][C@H]1C[C@H](O)C1 657809717 409498272 /nfs/dbraw/zinc/49/82/72/409498272.db2.gz MNVCTMSKVQDNAI-XYPYZODXSA-N 1 0 192.262 1.003 20 0 ADADRO CC[C@H](C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C 133684166 409498283 /nfs/dbraw/zinc/49/82/83/409498283.db2.gz BOGUKTPUKYUHSU-GUBZILKMSA-N 1 0 198.310 1.371 20 0 ADADRO CC[C@H](C)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C 133684570 409498343 /nfs/dbraw/zinc/49/83/43/409498343.db2.gz BOGUKTPUKYUHSU-LPEHRKFASA-N 1 0 198.310 1.371 20 0 ADADRO CC[C@H](C)C[NH2+][C@H]1C[C@H](O)C1 657809381 409498352 /nfs/dbraw/zinc/49/83/52/409498352.db2.gz JLFJFNKCFXPPDN-CIUDSAMLSA-N 1 0 157.257 1.145 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](O)C2)C1 657809465 409498376 /nfs/dbraw/zinc/49/83/76/409498376.db2.gz LHIPXLWDNKHWFJ-ZYUZMQFOSA-N 1 0 169.268 1.288 20 0 ADADRO O[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 657810302 409498386 /nfs/dbraw/zinc/49/83/86/409498386.db2.gz ZXZDQZYXMDBGEX-KYZUINATSA-N 1 0 183.276 1.361 20 0 ADADRO Cc1ccsc1C[NH2+][C@H]1C[C@H](O)C1 657809231 409498463 /nfs/dbraw/zinc/49/84/63/409498463.db2.gz GCJPEFAJOLUTNS-KYZUINATSA-N 1 0 197.303 1.669 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](O)C2)C1 657809547 409498478 /nfs/dbraw/zinc/49/84/78/409498478.db2.gz JXRDWBVMBXBDMB-LMLFDSFASA-N 1 0 183.295 1.678 20 0 ADADRO O[C@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)C1 657809713 409498552 /nfs/dbraw/zinc/49/85/52/409498552.db2.gz MJTZGCXQBKBMSB-DCAQKATOSA-N 1 0 181.279 1.456 20 0 ADADRO COC[C@H](C)C[NH2+][C@@H]1CCO[C@@H]1C 134003642 409498554 /nfs/dbraw/zinc/49/85/54/409498554.db2.gz FWNZUGOLAALVDF-OPRDCNLKSA-N 1 0 187.283 1.036 20 0 ADADRO C[C@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](O)C1 657809342 409498556 /nfs/dbraw/zinc/49/85/56/409498556.db2.gz IGJJPBVKZWILEX-BJDJZHNGSA-N 1 0 197.322 1.926 20 0 ADADRO O[C@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 657809714 409498569 /nfs/dbraw/zinc/49/85/69/409498569.db2.gz MJTZGCXQBKBMSB-GMTAPVOTSA-N 1 0 181.279 1.456 20 0 ADADRO C[C@H]1OCC[C@H]1[NH2+]CCCF 133457271 409498652 /nfs/dbraw/zinc/49/86/52/409498652.db2.gz YEQLPOVEMSBYRI-HTQZYQBOSA-N 1 0 161.220 1.113 20 0 ADADRO C[C@@H]([NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]21 133808038 409498712 /nfs/dbraw/zinc/49/87/12/409498712.db2.gz CSWOSPBBIQBWBA-UTLUCORTSA-N 1 0 196.294 1.125 20 0 ADADRO CC[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 134031187 409498848 /nfs/dbraw/zinc/49/88/48/409498848.db2.gz SDWRJDCZYANDRO-QWRGUYRKSA-N 1 0 185.311 1.735 20 0 ADADRO C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657814659 409499249 /nfs/dbraw/zinc/49/92/49/409499249.db2.gz CZIZFQWGQYWDRM-VLEAKVRGSA-N 1 0 197.322 1.782 20 0 ADADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCO 657817094 409499264 /nfs/dbraw/zinc/49/92/64/409499264.db2.gz MRNSLVXXGKRXSU-VWYCJHECSA-N 1 0 197.322 1.783 20 0 ADADRO CC1(C)[C@H]2CCC[C@H]2[C@H]1[NH2+]CCCO 657817093 409499436 /nfs/dbraw/zinc/49/94/36/409499436.db2.gz MRNSLVXXGKRXSU-OUAUKWLOSA-N 1 0 197.322 1.783 20 0 ADADRO COC1([C@H](C)[NH2+]C2CC2)CCC1 657818827 409499493 /nfs/dbraw/zinc/49/94/93/409499493.db2.gz UWCCWZXWVYZKKP-QMMMGPOBSA-N 1 0 169.268 1.696 20 0 ADADRO CC[C@H](COC)[NH2+][C@@H]1CCO[C@@H]1C 134075886 409499520 /nfs/dbraw/zinc/49/95/20/409499520.db2.gz LBSYLSYZTZRPBO-OPRDCNLKSA-N 1 0 187.283 1.178 20 0 ADADRO C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657814660 409499532 /nfs/dbraw/zinc/49/95/32/409499532.db2.gz CZIZFQWGQYWDRM-ZNSHCXBVSA-N 1 0 197.322 1.782 20 0 ADADRO CCC(=O)N[C@@](C)(C[NH3+])CC(C)C 134097458 409499717 /nfs/dbraw/zinc/49/97/17/409499717.db2.gz DKIAYGFGGBBZAM-SNVBAGLBSA-N 1 0 186.299 1.276 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 657814658 409499804 /nfs/dbraw/zinc/49/98/04/409499804.db2.gz CZIZFQWGQYWDRM-CHWFTXMASA-N 1 0 197.322 1.782 20 0 ADADRO C[C@H]1CCC[C@@H](C)N1C(=O)[C@H](C)C[NH3+] 134163358 409499870 /nfs/dbraw/zinc/49/98/70/409499870.db2.gz MQSRBBHYGKZPIT-BBBLOLIVSA-N 1 0 198.310 1.371 20 0 ADADRO COC1([C@@H](C)[NH2+]C2CC2)CCC1 657818826 409499935 /nfs/dbraw/zinc/49/99/35/409499935.db2.gz UWCCWZXWVYZKKP-MRVPVSSYSA-N 1 0 169.268 1.696 20 0 ADADRO C[C@H]1OCC[C@H]1[NH2+]CCC(F)(F)F 134093443 409499971 /nfs/dbraw/zinc/49/99/71/409499971.db2.gz OBWNAOJTESELPF-RNFRBKRXSA-N 1 0 197.200 1.706 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 657814664 409499980 /nfs/dbraw/zinc/49/99/80/409499980.db2.gz CZIZFQWGQYWDRM-ZRUFSTJUSA-N 1 0 197.322 1.782 20 0 ADADRO CCC(=O)N[C@](C)(C[NH3+])CC(C)C 134097262 409500030 /nfs/dbraw/zinc/50/00/30/409500030.db2.gz DKIAYGFGGBBZAM-JTQLQIEISA-N 1 0 186.299 1.276 20 0 ADADRO C[C@H](CO)[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657842969 409500772 /nfs/dbraw/zinc/50/07/72/409500772.db2.gz CSNVHJOUCZWLNO-ZNSHCXBVSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@H](CO)C[NH2+][C@@H]1CCCC12CC2 657843970 409500678 /nfs/dbraw/zinc/50/06/78/409500678.db2.gz FQBYSVAXCIEMKF-VHSXEESVSA-N 1 0 183.295 1.537 20 0 ADADRO CC1(C)[C@H]2CCC[C@H]2[C@H]1[NH2+]CCO 657826068 409500748 /nfs/dbraw/zinc/50/07/48/409500748.db2.gz QTQGGEOBBLVSMQ-KXUCPTDWSA-N 1 0 183.295 1.393 20 0 ADADRO C[C@@H](Cn1cncn1)[NH2+]CC1CCC1 657853880 409500753 /nfs/dbraw/zinc/50/07/53/409500753.db2.gz RFLKYRTWRGAGFN-VIFPVBQESA-N 1 0 194.282 1.056 20 0 ADADRO C[C@H](CO)[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 657842967 409500878 /nfs/dbraw/zinc/50/08/78/409500878.db2.gz CSNVHJOUCZWLNO-CHWFTXMASA-N 1 0 197.322 1.782 20 0 ADADRO C[C@@H](CO)C[NH2+][C@H]1CCCC12CC2 657843972 409500928 /nfs/dbraw/zinc/50/09/28/409500928.db2.gz FQBYSVAXCIEMKF-ZJUUUORDSA-N 1 0 183.295 1.537 20 0 ADADRO C[C@H]([NH3+])CC(=O)NCCCC1CC1 158452748 409501117 /nfs/dbraw/zinc/50/11/17/409501117.db2.gz WCSCMPBYNATAMX-QMMMGPOBSA-N 1 0 184.283 1.030 20 0 ADADRO C[C@H](Cn1cncn1)[NH2+]CC1CCC1 657853879 409501120 /nfs/dbraw/zinc/50/11/20/409501120.db2.gz RFLKYRTWRGAGFN-SECBINFHSA-N 1 0 194.282 1.056 20 0 ADADRO C[C@@H](CO)C[NH2+][C@@H]1CCCC12CC2 657843967 409501211 /nfs/dbraw/zinc/50/12/11/409501211.db2.gz FQBYSVAXCIEMKF-NXEZZACHSA-N 1 0 183.295 1.537 20 0 ADADRO C[C@H](CO)C[NH2+][C@H]1CCCC12CC2 657843969 409501302 /nfs/dbraw/zinc/50/13/02/409501302.db2.gz FQBYSVAXCIEMKF-UWVGGRQHSA-N 1 0 183.295 1.537 20 0 ADADRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCO 657826069 409501377 /nfs/dbraw/zinc/50/13/77/409501377.db2.gz QTQGGEOBBLVSMQ-UTLUCORTSA-N 1 0 183.295 1.393 20 0 ADADRO c1cc2n(n1)CCC[C@H]2[NH2+]C1CCC1 657912463 409502011 /nfs/dbraw/zinc/50/20/11/409502011.db2.gz HNGFFMACAMWAIC-SNVBAGLBSA-N 1 0 191.278 1.860 20 0 ADADRO C[C@@H](CO)[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C 657890214 409502172 /nfs/dbraw/zinc/50/21/72/409502172.db2.gz CSNVHJOUCZWLNO-VLEAKVRGSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@@H](Cn1cncn1)[NH2+]CC1(C)CC1 657922141 409502217 /nfs/dbraw/zinc/50/22/17/409502217.db2.gz GDGXGXJCMSVTLE-VIFPVBQESA-N 1 0 194.282 1.056 20 0 ADADRO C[C@@H](Cn1cncn1)[NH2+]CCC1CC1 657923448 409502224 /nfs/dbraw/zinc/50/22/24/409502224.db2.gz XRKDDFILUDFLBG-VIFPVBQESA-N 1 0 194.282 1.056 20 0 ADADRO C[C@@H](CO)[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 657890220 409502581 /nfs/dbraw/zinc/50/25/81/409502581.db2.gz CSNVHJOUCZWLNO-ZRUFSTJUSA-N 1 0 197.322 1.782 20 0 ADADRO C[C@H](Cn1cncn1)[NH2+]CCC1CC1 657923443 409502665 /nfs/dbraw/zinc/50/26/65/409502665.db2.gz XRKDDFILUDFLBG-SECBINFHSA-N 1 0 194.282 1.056 20 0 ADADRO c1cc2n(n1)CCC[C@@H]2[NH2+]C1CCC1 657912462 409502810 /nfs/dbraw/zinc/50/28/10/409502810.db2.gz HNGFFMACAMWAIC-JTQLQIEISA-N 1 0 191.278 1.860 20 0 ADADRO C[C@H](Cn1cncn1)[NH2+]CC1(C)CC1 657922140 409502932 /nfs/dbraw/zinc/50/29/32/409502932.db2.gz GDGXGXJCMSVTLE-SECBINFHSA-N 1 0 194.282 1.056 20 0 ADADRO C[C@H](Cn1cncn1)[NH2+][C@H]1CC1(C)C 657943270 409503381 /nfs/dbraw/zinc/50/33/81/409503381.db2.gz PSHBDIJTKHQZEJ-BDAKNGLRSA-N 1 0 194.282 1.055 20 0 ADADRO CCC1([NH2+][C@@H](C)Cn2cncn2)CC1 658027085 409503390 /nfs/dbraw/zinc/50/33/90/409503390.db2.gz KICNOCUAQRQOOS-VIFPVBQESA-N 1 0 194.282 1.199 20 0 ADADRO C[C@H](Cn1cncn1)[NH2+]C1(C)CCC1 657965328 409503403 /nfs/dbraw/zinc/50/34/03/409503403.db2.gz WAKABYPOMLIVSG-SECBINFHSA-N 1 0 194.282 1.199 20 0 ADADRO CC/C=C/C[NH2+][C@H](C)Cn1cncn1 658026894 409503426 /nfs/dbraw/zinc/50/34/26/409503426.db2.gz IAKFOUHFGPGADR-ORAHPGNNSA-N 1 0 194.282 1.222 20 0 ADADRO CCC1([NH2+][C@H](C)Cn2cncn2)CC1 658027083 409503617 /nfs/dbraw/zinc/50/36/17/409503617.db2.gz KICNOCUAQRQOOS-SECBINFHSA-N 1 0 194.282 1.199 20 0 ADADRO C[C@@H](Cn1cncn1)[NH2+][C@H]1CC1(C)C 657943274 409503732 /nfs/dbraw/zinc/50/37/32/409503732.db2.gz PSHBDIJTKHQZEJ-IUCAKERBSA-N 1 0 194.282 1.055 20 0 ADADRO COCC1([NH2+][C@@H]2COC(C)(C)C2)CC1 657952148 409503821 /nfs/dbraw/zinc/50/38/21/409503821.db2.gz HYUXIZROMKSGSP-VIFPVBQESA-N 1 0 199.294 1.323 20 0 ADADRO C[C@@H](Cn1cncn1)[NH2+]C1(C)CCC1 657965329 409503844 /nfs/dbraw/zinc/50/38/44/409503844.db2.gz WAKABYPOMLIVSG-VIFPVBQESA-N 1 0 194.282 1.199 20 0 ADADRO CC/C=C/C[NH2+][C@@H](C)Cn1cncn1 658026898 409503870 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/nfs/dbraw/zinc/50/87/71/409508771.db2.gz FCZHFBPLGVSCTR-UMCURTJPSA-N 1 0 192.262 1.281 20 0 ADADRO CC(C)CC[C@H](C)[NH2+]C/C=C\CO 658130889 409508784 /nfs/dbraw/zinc/50/87/84/409508784.db2.gz ADRGBTYGCWJHOD-WYGGZMRJSA-N 1 0 185.311 1.949 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)c1ccsc1 658132356 409508793 /nfs/dbraw/zinc/50/87/93/409508793.db2.gz HFLDBJXLXIMGDS-HPOULIHZSA-N 1 0 197.303 1.947 20 0 ADADRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C/C=C\CO 658132873 409508799 /nfs/dbraw/zinc/50/87/99/409508799.db2.gz JQQWWZHKPKFHLQ-ANDSXOESSA-N 1 0 197.322 1.949 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)C1CCC1 658131415 409508819 /nfs/dbraw/zinc/50/88/19/409508819.db2.gz BRHWWYDQKGQYMI-XADBCAIWSA-N 1 0 169.268 1.313 20 0 ADADRO C[C@@H]([NH2+]C/C=C/CO)C1CCC1 658131412 409508821 /nfs/dbraw/zinc/50/88/21/409508821.db2.gz BRHWWYDQKGQYMI-GKQMSVHHSA-N 1 0 169.268 1.313 20 0 ADADRO CC[C@H](C)[C@@H](C)[NH2+]C/C=C/CO 658132620 409508827 /nfs/dbraw/zinc/50/88/27/409508827.db2.gz MLGINQUHMBYKDW-FQNVXPIYSA-N 1 0 171.284 1.559 20 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/nfs/dbraw/zinc/50/88/71/409508871.db2.gz ALNDAUGOLOKMQK-FSIBCCDJSA-N 1 0 195.262 1.787 20 0 ADADRO CCC[C@@H](CC)[NH2+]C/C=C\CO 658132657 409508885 /nfs/dbraw/zinc/50/88/85/409508885.db2.gz ANIFNYVVRYJSEA-WWQCOOJYSA-N 1 0 171.284 1.703 20 0 ADADRO C[C@@H]1CCC[C@H]([NH2+]C/C=C\CO)[C@@H]1C 658133897 409508887 /nfs/dbraw/zinc/50/88/87/409508887.db2.gz HGAGMTQNFPOFJF-MZBUWZLFSA-N 1 0 197.322 1.949 20 0 ADADRO CC1(C)CC[C@H]([NH2+]C/C=C/CO)C1 658133557 409508899 /nfs/dbraw/zinc/50/88/99/409508899.db2.gz FCTRKCLXBQDOKQ-FSIBCCDJSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@@H](CCC1CC1)[NH2+]C/C=C/CO 658133256 409508902 /nfs/dbraw/zinc/50/89/02/409508902.db2.gz CUCUTXMYHOBKOU-PBKGFPTLSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)c1ccco1 658133050 409508914 /nfs/dbraw/zinc/50/89/14/409508914.db2.gz OKZZGLUOAADKLN-HPOULIHZSA-N 1 0 181.235 1.479 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)c1cccs1 658132188 409508929 /nfs/dbraw/zinc/50/89/29/409508929.db2.gz JINCDOOSFXKFNX-XADBCAIWSA-N 1 0 197.303 1.947 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)C1CCCC1 658133514 409508939 /nfs/dbraw/zinc/50/89/39/409508939.db2.gz MZQZETXURWCHEG-YEZKRMTDSA-N 1 0 183.295 1.703 20 0 ADADRO CC1(C)CC[C@@H]([NH2+]C/C=C\CO)C1 658133559 409508946 /nfs/dbraw/zinc/50/89/46/409508946.db2.gz FCTRKCLXBQDOKQ-UMBAGQNISA-N 1 0 183.295 1.703 20 0 ADADRO C[C@@H]([NH2+]C/C=C\CO)c1ccoc1 658136642 409509333 /nfs/dbraw/zinc/50/93/33/409509333.db2.gz YAULGYOXURUKBS-PKRMOACSSA-N 1 0 181.235 1.479 20 0 ADADRO CC[C@H]([NH2+]C/C=C/CO)C1CCC1 658137090 409509400 /nfs/dbraw/zinc/50/94/00/409509400.db2.gz JZOWPFDHOZDJEQ-UFFNRZRYSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\CO 658135059 409509635 /nfs/dbraw/zinc/50/96/35/409509635.db2.gz YDNWSEOGVKCGFB-WQMVXFAESA-N 1 0 183.295 1.703 20 0 ADADRO CC[C@H]([NH2+]C/C=C\CO)C1CCC1 658137087 409509288 /nfs/dbraw/zinc/50/92/88/409509288.db2.gz JZOWPFDHOZDJEQ-BYCRGOAPSA-N 1 0 183.295 1.703 20 0 ADADRO CC[C@@H]1CCC[C@@H]1[NH2+]C/C=C\CO 658134424 409509303 /nfs/dbraw/zinc/50/93/03/409509303.db2.gz QLTYENWRZJZOJO-CJOPTALJSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)[C@]1(C)CCCO1 658138851 409509340 /nfs/dbraw/zinc/50/93/40/409509340.db2.gz NNONJXSYZFGUFF-SEUFLZDSSA-N 1 0 199.294 1.082 20 0 ADADRO COC1([C@@H](C)[NH2+]C/C=C/CO)CCC1 658137872 409509346 /nfs/dbraw/zinc/50/93/46/409509346.db2.gz LYZTXWPMIVANOM-HMDXOVGESA-N 1 0 199.294 1.082 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]C/C=C\CO 658136402 409509363 /nfs/dbraw/zinc/50/93/63/409509363.db2.gz IAUKDCYRBCYBBO-ZBJFTSOASA-N 1 0 169.268 1.313 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)c1ccoc1 658136645 409509368 /nfs/dbraw/zinc/50/93/68/409509368.db2.gz YAULGYOXURUKBS-XADBCAIWSA-N 1 0 181.235 1.479 20 0 ADADRO CC[C@H]([NH2+]C/C=C\CO)[C@H]1CC1(C)C 658137710 409509375 /nfs/dbraw/zinc/50/93/75/409509375.db2.gz LISMEIQHFGDLIC-MXFLAHGMSA-N 1 0 197.322 1.949 20 0 ADADRO OC/C=C/C[NH2+][C@@H]1CC[C@@H]1C1CCC1 658135462 409509384 /nfs/dbraw/zinc/50/93/84/409509384.db2.gz DUUVICFUGWFLSO-NUYITTKVSA-N 1 0 195.306 1.703 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]C/C=C/CO 658136078 409509388 /nfs/dbraw/zinc/50/93/88/409509388.db2.gz WGYNLSWQMCUWRL-HPOULIHZSA-N 1 0 169.268 1.313 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]C/C=C\CO 658136080 409509396 /nfs/dbraw/zinc/50/93/96/409509396.db2.gz WGYNLSWQMCUWRL-XADBCAIWSA-N 1 0 169.268 1.313 20 0 ADADRO OC/C=C\C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 658136943 409509406 /nfs/dbraw/zinc/50/94/06/409509406.db2.gz JLROBOUJIAYYHY-ZBGPAIDZSA-N 1 0 181.279 1.313 20 0 ADADRO C[C@@H]([NH2+]C/C=C/CO)C(C)(C)C 658135190 409509424 /nfs/dbraw/zinc/50/94/24/409509424.db2.gz SSFFWALSKXHNDR-VUHVRTRXSA-N 1 0 171.284 1.559 20 0 ADADRO CC[C@H]([NH2+]C/C=C\CO)[C@@H]1CC1(C)C 658137711 409509458 /nfs/dbraw/zinc/50/94/58/409509458.db2.gz LISMEIQHFGDLIC-OBOPVNRVSA-N 1 0 197.322 1.949 20 0 ADADRO OC/C=C/C[NH2+][C@H](C1CCC1)C1CC1 658135032 409509463 /nfs/dbraw/zinc/50/94/63/409509463.db2.gz CQHWTDJJHKCZMM-YYRQZUAOSA-N 1 0 195.306 1.703 20 0 ADADRO OC/C=C\C[NH2+][C@@H](C1CCC1)C1CC1 658135024 409509466 /nfs/dbraw/zinc/50/94/66/409509466.db2.gz CQHWTDJJHKCZMM-BIOMNHJASA-N 1 0 195.306 1.703 20 0 ADADRO C[C@H](CC1CC1)[NH2+]C/C=C\CO 658136079 409509472 /nfs/dbraw/zinc/50/94/72/409509472.db2.gz WGYNLSWQMCUWRL-PKRMOACSSA-N 1 0 169.268 1.313 20 0 ADADRO OC/C=C/C[NH2+][C@@H]1CCC12CCCC2 658137785 409509474 /nfs/dbraw/zinc/50/94/74/409509474.db2.gz JKAYZNGPYKOEQM-PGLGOXFNSA-N 1 0 195.306 1.847 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]C/C=C\CO 658136401 409509477 /nfs/dbraw/zinc/50/94/77/409509477.db2.gz IAUKDCYRBCYBBO-TYRPZCRBSA-N 1 0 169.268 1.313 20 0 ADADRO OC/C=C\C[NH2+][C@@H]1CC[C@@H]1C1CCC1 658135460 409509481 /nfs/dbraw/zinc/50/94/81/409509481.db2.gz DUUVICFUGWFLSO-JZIZGNRHSA-N 1 0 195.306 1.703 20 0 ADADRO CC[C@@H]([NH2+]C/C=C\CO)C1CCC1 658137088 409509488 /nfs/dbraw/zinc/50/94/88/409509488.db2.gz JZOWPFDHOZDJEQ-DLRQAJBASA-N 1 0 183.295 1.703 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)C(C)(C)C 658135187 409509492 /nfs/dbraw/zinc/50/94/92/409509492.db2.gz SSFFWALSKXHNDR-UDIARPCQSA-N 1 0 171.284 1.559 20 0 ADADRO C[C@H](CC1CCC1)[NH2+]C/C=C/CO 658135704 409509500 /nfs/dbraw/zinc/50/95/00/409509500.db2.gz UXRJJEDZYZPUFV-VMZHVLLKSA-N 1 0 183.295 1.703 20 0 ADADRO OC/C=C\C[NH2+][C@@H]1CCC12CCCC2 658137783 409509505 /nfs/dbraw/zinc/50/95/05/409509505.db2.gz JKAYZNGPYKOEQM-DLRQAJBASA-N 1 0 195.306 1.847 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)[C@]1(C)CCCO1 658138853 409509509 /nfs/dbraw/zinc/50/95/09/409509509.db2.gz NNONJXSYZFGUFF-WZQADMAKSA-N 1 0 199.294 1.082 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\CO 658135058 409509514 /nfs/dbraw/zinc/50/95/14/409509514.db2.gz YDNWSEOGVKCGFB-KWKBKKAHSA-N 1 0 183.295 1.703 20 0 ADADRO CC[C@H]([NH2+]C/C=C\CO)[C@@H]1C[C@@H]1C 658140134 409509517 /nfs/dbraw/zinc/50/95/17/409509517.db2.gz UACJIBFRHYQYHT-WPSJUAOZSA-N 1 0 183.295 1.559 20 0 ADADRO CC[C@H]([NH2+]C/C=C\CO)[C@@H]1C[C@H]1C 658140131 409509524 /nfs/dbraw/zinc/50/95/24/409509524.db2.gz UACJIBFRHYQYHT-OFOQJXSYSA-N 1 0 183.295 1.559 20 0 ADADRO COC1([C@@H](C)[NH2+]C/C=C\CO)CCC1 658137876 409509538 /nfs/dbraw/zinc/50/95/38/409509538.db2.gz LYZTXWPMIVANOM-UMBAGQNISA-N 1 0 199.294 1.082 20 0 ADADRO C[C@H](CC1CC1)[NH2+]C/C=C/CO 658136077 409509546 /nfs/dbraw/zinc/50/95/46/409509546.db2.gz WGYNLSWQMCUWRL-GKQMSVHHSA-N 1 0 169.268 1.313 20 0 ADADRO CC[C@H]([NH2+]C/C=C/CO)[C@@H]1CC1(C)C 658137715 409509571 /nfs/dbraw/zinc/50/95/71/409509571.db2.gz LISMEIQHFGDLIC-PZIAFJOJSA-N 1 0 197.322 1.949 20 0 ADADRO CC[C@H]([NH2+]C/C=C/CO)[C@@H]1C[C@@H]1C 658140130 409509625 /nfs/dbraw/zinc/50/96/25/409509625.db2.gz UACJIBFRHYQYHT-ASBRAAOASA-N 1 0 183.295 1.559 20 0 ADADRO CC[C@@H]1CCC[C@@H]1[NH2+]C/C=C/CO 658134425 409509646 /nfs/dbraw/zinc/50/96/46/409509646.db2.gz QLTYENWRZJZOJO-YHROSDCASA-N 1 0 183.295 1.703 20 0 ADADRO C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/CO 658135329 409509650 /nfs/dbraw/zinc/50/96/50/409509650.db2.gz YDNWSEOGVKCGFB-ZJRFNNFUSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)c1cncs1 658137200 409509655 /nfs/dbraw/zinc/50/96/55/409509655.db2.gz ZCTYKOFEDXBZHK-SGJFDWMWSA-N 1 0 198.291 1.342 20 0 ADADRO CCNC(=O)CC[NH+]1CCC(C)CC1 200950332 409509660 /nfs/dbraw/zinc/50/96/60/409509660.db2.gz DAGIUZATRHYZKL-UHFFFAOYSA-N 1 0 198.310 1.245 20 0 ADADRO OC/C=C/C[NH2+][C@H]1CCC12CCCC2 658137787 409509662 /nfs/dbraw/zinc/50/96/62/409509662.db2.gz JKAYZNGPYKOEQM-UFFNRZRYSA-N 1 0 195.306 1.847 20 0 ADADRO C[C@@H]([NH2+]C/C=C/CO)c1ccoc1 658136637 409509752 /nfs/dbraw/zinc/50/97/52/409509752.db2.gz YAULGYOXURUKBS-GKQMSVHHSA-N 1 0 181.235 1.479 20 0 ADADRO OC/C=C\C[NH2+][C@H]1CCC[C@H]2C[C@H]21 658136940 409509765 /nfs/dbraw/zinc/50/97/65/409509765.db2.gz JLROBOUJIAYYHY-IMFSMGAGSA-N 1 0 181.279 1.313 20 0 ADADRO OC/C=C/C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 658136941 409509770 /nfs/dbraw/zinc/50/97/70/409509770.db2.gz JLROBOUJIAYYHY-VFDLHJOKSA-N 1 0 181.279 1.313 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)C(C)(C)C 658135185 409509774 /nfs/dbraw/zinc/50/97/74/409509774.db2.gz SSFFWALSKXHNDR-CYNONHLPSA-N 1 0 171.284 1.559 20 0 ADADRO OC/C=C\C[NH2+][C@H]1CCC12CCCC2 658137780 409509820 /nfs/dbraw/zinc/50/98/20/409509820.db2.gz JKAYZNGPYKOEQM-BYCRGOAPSA-N 1 0 195.306 1.847 20 0 ADADRO CC[C@@H]([NH2+]C/C=C/CO)C1CCC1 658137089 409509833 /nfs/dbraw/zinc/50/98/33/409509833.db2.gz JZOWPFDHOZDJEQ-PGLGOXFNSA-N 1 0 183.295 1.703 20 0 ADADRO CCCC[C@@H](C)[NH2+]C/C=C\CO 658134507 409509836 /nfs/dbraw/zinc/50/98/36/409509836.db2.gz WDCBCPJKLKGALU-WWQCOOJYSA-N 1 0 171.284 1.703 20 0 ADADRO C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/CO 658135327 409509840 /nfs/dbraw/zinc/50/98/40/409509840.db2.gz YDNWSEOGVKCGFB-XKFHPXPTSA-N 1 0 183.295 1.703 20 0 ADADRO OC/C=C\C[NH2+][C@@H]1CC[C@H]1C1CCC1 658135465 409509844 /nfs/dbraw/zinc/50/98/44/409509844.db2.gz DUUVICFUGWFLSO-YSPFUZRBSA-N 1 0 195.306 1.703 20 0 ADADRO COC1([C@H](C)[NH2+]C/C=C/CO)CCC1 658137870 409509889 /nfs/dbraw/zinc/50/98/89/409509889.db2.gz LYZTXWPMIVANOM-FSIBCCDJSA-N 1 0 199.294 1.082 20 0 ADADRO CC[C@H]([NH2+]C/C=C/CO)[C@@H]1C[C@H]1C 658140132 409509892 /nfs/dbraw/zinc/50/98/92/409509892.db2.gz UACJIBFRHYQYHT-ONMMUWTQSA-N 1 0 183.295 1.559 20 0 ADADRO C[C@H](CC1CCC1)[NH2+]C/C=C\CO 658135701 409509895 /nfs/dbraw/zinc/50/98/95/409509895.db2.gz UXRJJEDZYZPUFV-MXQLGCADSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)[C@@]1(C)CCCO1 658138850 409509901 /nfs/dbraw/zinc/50/99/01/409509901.db2.gz NNONJXSYZFGUFF-MJKAUQOVSA-N 1 0 199.294 1.082 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]C/C=C/CO 658136400 409509924 /nfs/dbraw/zinc/50/99/24/409509924.db2.gz IAUKDCYRBCYBBO-NWALNABHSA-N 1 0 169.268 1.313 20 0 ADADRO OC/C=C/C[NH2+][C@@H]1CC[C@H]1C1CCC1 658135459 409509926 /nfs/dbraw/zinc/50/99/26/409509926.db2.gz DUUVICFUGWFLSO-FGXISPTISA-N 1 0 195.306 1.703 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)c1cncs1 658137199 409509930 /nfs/dbraw/zinc/50/99/30/409509930.db2.gz ZCTYKOFEDXBZHK-KZUAUGPASA-N 1 0 198.291 1.342 20 0 ADADRO C[C@@H](CC1CCC1)[NH2+]C/C=C/CO 658135703 409509938 /nfs/dbraw/zinc/50/99/38/409509938.db2.gz UXRJJEDZYZPUFV-PBKGFPTLSA-N 1 0 183.295 1.703 20 0 ADADRO C[C@@H](CC1CCC1)[NH2+]C/C=C\CO 658135705 409509957 /nfs/dbraw/zinc/50/99/57/409509957.db2.gz UXRJJEDZYZPUFV-ZMWSMAPVSA-N 1 0 183.295 1.703 20 0 ADADRO COC1([C@H](C)[NH2+]C/C=C\CO)CCC1 658137878 409509972 /nfs/dbraw/zinc/50/99/72/409509972.db2.gz LYZTXWPMIVANOM-XOULXFPDSA-N 1 0 199.294 1.082 20 0 ADADRO C[C@@H]([NH2+]C/C=C\CO)c1cncs1 658137202 409509975 /nfs/dbraw/zinc/50/99/75/409509975.db2.gz ZCTYKOFEDXBZHK-YAJNLLPGSA-N 1 0 198.291 1.342 20 0 ADADRO OC/C=C/C[NH2+][C@H]1CCC[C@H]2C[C@H]21 658136939 409509993 /nfs/dbraw/zinc/50/99/93/409509993.db2.gz JLROBOUJIAYYHY-FNJFGRIQSA-N 1 0 181.279 1.313 20 0 ADADRO OC/C=C/C[NH2+][C@@H](C1CCC1)C1CC1 658135026 409510002 /nfs/dbraw/zinc/51/00/02/409510002.db2.gz CQHWTDJJHKCZMM-ISUDXETCSA-N 1 0 195.306 1.703 20 0 ADADRO C[C@@H]([NH2+]C/C=C/CO)c1cncs1 658137201 409510011 /nfs/dbraw/zinc/51/00/11/409510011.db2.gz ZCTYKOFEDXBZHK-UFUPEUMYSA-N 1 0 198.291 1.342 20 0 ADADRO C[C@@H]([NH2+]C/C=C\CO)C(C)(C)C 658135186 409510036 /nfs/dbraw/zinc/51/00/36/409510036.db2.gz SSFFWALSKXHNDR-SSJHQANKSA-N 1 0 171.284 1.559 20 0 ADADRO CC[C@H]([NH2+]C/C=C/CO)[C@H]1CC1(C)C 658137713 409510040 /nfs/dbraw/zinc/51/00/40/409510040.db2.gz LISMEIQHFGDLIC-PVTPVBHGSA-N 1 0 197.322 1.949 20 0 ADADRO CCCC[C@H](C)[NH2+]C/C=C\CO 658134503 409510066 /nfs/dbraw/zinc/51/00/66/409510066.db2.gz WDCBCPJKLKGALU-OMMCCPJFSA-N 1 0 171.284 1.703 20 0 ADADRO CC[C@@H]1CCC[C@H]1[NH2+]C/C=C\CO 658134421 409510099 /nfs/dbraw/zinc/51/00/99/409510099.db2.gz QLTYENWRZJZOJO-ANDSXOESSA-N 1 0 183.295 1.703 20 0 ADADRO CCCC[N@@H+]1CC[C@@H](F)C1 202079352 409510107 /nfs/dbraw/zinc/51/01/07/409510107.db2.gz XZOBFDPJUMGMSF-MRVPVSSYSA-N 1 0 145.221 1.830 20 0 ADADRO OC/C=C\C[NH2+][C@H](C1CCC1)C1CC1 658135029 409510110 /nfs/dbraw/zinc/51/01/10/409510110.db2.gz CQHWTDJJHKCZMM-UDSFMNFJSA-N 1 0 195.306 1.703 20 0 ADADRO CCCC[C@H](C)[NH2+]C/C=C/CO 658134505 409510120 /nfs/dbraw/zinc/51/01/20/409510120.db2.gz WDCBCPJKLKGALU-PORFMDCZSA-N 1 0 171.284 1.703 20 0 ADADRO CCC(CC)[NH2+]C/C=C\CO 658134007 409510124 /nfs/dbraw/zinc/51/01/24/409510124.db2.gz UOAKLYHDQHMSGH-WAYWQWQTSA-N 1 0 157.257 1.313 20 0 ADADRO CCCC[C@@H](C)[NH2+]C/C=C/CO 658134499 409510132 /nfs/dbraw/zinc/51/01/32/409510132.db2.gz WDCBCPJKLKGALU-BRAIEQGRSA-N 1 0 171.284 1.703 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]C/C=C/CO 658136399 409510138 /nfs/dbraw/zinc/51/01/38/409510138.db2.gz IAUKDCYRBCYBBO-CDAZIORVSA-N 1 0 169.268 1.313 20 0 ADADRO CCC(CC)[NH2+]C/C=C/CO 658134006 409510139 /nfs/dbraw/zinc/51/01/39/409510139.db2.gz UOAKLYHDQHMSGH-AATRIKPKSA-N 1 0 157.257 1.313 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)c1ccoc1 658136639 409510141 /nfs/dbraw/zinc/51/01/41/409510141.db2.gz YAULGYOXURUKBS-HPOULIHZSA-N 1 0 181.235 1.479 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)[C@@]1(C)CCCO1 658138848 409510147 /nfs/dbraw/zinc/51/01/47/409510147.db2.gz NNONJXSYZFGUFF-CBZSPVTBSA-N 1 0 199.294 1.082 20 0 ADADRO C[C@@H]([NH2+]C1CC(C)(C)C1)C1(CO)CC1 658152757 409510389 /nfs/dbraw/zinc/51/03/89/409510389.db2.gz 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C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C/C=C/CO 658140562 409510517 /nfs/dbraw/zinc/51/05/17/409510517.db2.gz VDNGHMVAESYDKZ-QCQCZYOXSA-N 1 0 197.322 1.949 20 0 ADADRO CC(C)([NH3+])C1CCC(=O)CC1 203854776 409510537 /nfs/dbraw/zinc/51/05/37/409510537.db2.gz XFJBKXKIKWRYDX-UHFFFAOYSA-N 1 0 155.241 1.483 20 0 ADADRO COC1CCC([NH2+]C/C=C\CO)CC1 658142345 409510540 /nfs/dbraw/zinc/51/05/40/409510540.db2.gz XZAAIORKRBQDOR-IHWYPQMZSA-N 1 0 199.294 1.082 20 0 ADADRO C[C@H]([NH2+][C@H]1CCC1(C)C)C1(CO)CC1 658152041 409510567 /nfs/dbraw/zinc/51/05/67/409510567.db2.gz DBDXTCFSEPIFEV-UWVGGRQHSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]([NH2+]C/C=C/CO)c1ccncc1 658142311 409510570 /nfs/dbraw/zinc/51/05/70/409510570.db2.gz XQIBSBAPYPRENU-VMZHVLLKSA-N 1 0 192.262 1.281 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C1(CO)CC1 658156856 409510575 /nfs/dbraw/zinc/51/05/75/409510575.db2.gz WNYJNELMFIWUGJ-MXWKQRLJSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C/C=C/CO 658140563 409510581 /nfs/dbraw/zinc/51/05/81/409510581.db2.gz VDNGHMVAESYDKZ-QTQQSFGGSA-N 1 0 197.322 1.949 20 0 ADADRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C/C=C\CO 658141774 409510585 /nfs/dbraw/zinc/51/05/85/409510585.db2.gz WBQGLRGARNJHEO-WGPFEIJOSA-N 1 0 197.322 1.949 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]C/C=C/CO 658141071 409510593 /nfs/dbraw/zinc/51/05/93/409510593.db2.gz WBEFINKIBZSAIE-HIHHVFROSA-N 1 0 169.268 1.313 20 0 ADADRO OC/C=C/C[NH2+][C@H]1CCCC12CCC2 658140555 409510602 /nfs/dbraw/zinc/51/06/02/409510602.db2.gz VDKZWAVNGRJROG-GXFZAYBSSA-N 1 0 195.306 1.847 20 0 ADADRO OC/C=C/C[NH2+][C@@H]1CCCC12CCC2 658140554 409510610 /nfs/dbraw/zinc/51/06/10/409510610.db2.gz VDKZWAVNGRJROG-FMBMQGQPSA-N 1 0 195.306 1.847 20 0 ADADRO CC1CC([NH2+][C@H](C)C2(CO)CC2)C1 658151893 409510617 /nfs/dbraw/zinc/51/06/17/409510617.db2.gz CAPMEYCSIGIALG-HWOCKDDLSA-N 1 0 183.295 1.536 20 0 ADADRO CCC[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 658158730 409510622 /nfs/dbraw/zinc/51/06/22/409510622.db2.gz CXRFRYIEMQWUNH-UWVGGRQHSA-N 1 0 185.311 1.926 20 0 ADADRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C/C=C/CO 658141768 409510629 /nfs/dbraw/zinc/51/06/29/409510629.db2.gz WBQGLRGARNJHEO-HEKLCECKSA-N 1 0 197.322 1.949 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)c1ccncc1 658142312 409510636 /nfs/dbraw/zinc/51/06/36/409510636.db2.gz XQIBSBAPYPRENU-ZMWSMAPVSA-N 1 0 192.262 1.281 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C1(CO)CC1 658152044 409510645 /nfs/dbraw/zinc/51/06/45/409510645.db2.gz DBDXTCFSEPIFEV-VHSXEESVSA-N 1 0 197.322 1.926 20 0 ADADRO OC/C=C\C[NH2+][C@@H]1CCCC12CCC2 658140558 409510659 /nfs/dbraw/zinc/51/06/59/409510659.db2.gz VDKZWAVNGRJROG-RFMOXSJOSA-N 1 0 195.306 1.847 20 0 ADADRO C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C/C=C\CO 658140560 409510662 /nfs/dbraw/zinc/51/06/62/409510662.db2.gz VDNGHMVAESYDKZ-HFQKVHLASA-N 1 0 197.322 1.949 20 0 ADADRO C[C@@H]([NH2+]C/C=C\CO)c1cccnc1 658141813 409510668 /nfs/dbraw/zinc/51/06/68/409510668.db2.gz WLRUAXYEMQQXCG-MXQLGCADSA-N 1 0 192.262 1.281 20 0 ADADRO C[C@H]([NH2+]C/C=C\CO)c1cccnc1 658141816 409510694 /nfs/dbraw/zinc/51/06/94/409510694.db2.gz WLRUAXYEMQQXCG-ZMWSMAPVSA-N 1 0 192.262 1.281 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]C/C=C\CO 658141072 409510726 /nfs/dbraw/zinc/51/07/26/409510726.db2.gz WBEFINKIBZSAIE-HWKXXFMVSA-N 1 0 169.268 1.313 20 0 ADADRO CC(C)[C@@H](C)[NH2+][C@@H](C)C1(CO)CC1 658162162 409510731 /nfs/dbraw/zinc/51/07/31/409510731.db2.gz WBPOAJCYHSSRMR-ZJUUUORDSA-N 1 0 185.311 1.782 20 0 ADADRO CC(C)[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 658162158 409510799 /nfs/dbraw/zinc/51/07/99/409510799.db2.gz WBPOAJCYHSSRMR-UWVGGRQHSA-N 1 0 185.311 1.782 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C1(CO)CC1 658156854 409510745 /nfs/dbraw/zinc/51/07/45/409510745.db2.gz WNYJNELMFIWUGJ-GMTAPVOTSA-N 1 0 197.322 1.926 20 0 ADADRO OC/C=C\C[NH2+][C@H]1CCC12CCC2 658142465 409510775 /nfs/dbraw/zinc/51/07/75/409510775.db2.gz ZKCZTYMJECTQSI-SYBPUXJVSA-N 1 0 181.279 1.457 20 0 ADADRO CCC(C)(C)[C@@H](C)[NH2+]C/C=C/CO 658142511 409510784 /nfs/dbraw/zinc/51/07/84/409510784.db2.gz 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409510981 /nfs/dbraw/zinc/51/09/81/409510981.db2.gz PPHBPGXGLMSLMU-KOLCDFICSA-N 1 0 197.322 1.926 20 0 ADADRO CCC(C)(C)[C@H](C)[NH2+]C/C=C\CO 658142508 409510988 /nfs/dbraw/zinc/51/09/88/409510988.db2.gz ZPSVYOYAAUPPQR-GFVADAIESA-N 1 0 185.311 1.949 20 0 ADADRO CCC(CC)[NH2+][C@@H](C)C1(CO)CC1 658161830 409511002 /nfs/dbraw/zinc/51/10/02/409511002.db2.gz VFQUHMGCOBHTDE-VIFPVBQESA-N 1 0 185.311 1.926 20 0 ADADRO OC/C=C\C[NH2+][C@H]1CCCC12CCC2 658140552 409511007 /nfs/dbraw/zinc/51/10/07/409511007.db2.gz VDKZWAVNGRJROG-BVBSBALXSA-N 1 0 195.306 1.847 20 0 ADADRO CC(C)[NH2+][C@H](C)C1(CO)CC1 658156239 409511137 /nfs/dbraw/zinc/51/11/37/409511137.db2.gz USQYOMZYLIZCRI-MRVPVSSYSA-N 1 0 157.257 1.145 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]C/C=C\CO 658141074 409511071 /nfs/dbraw/zinc/51/10/71/409511071.db2.gz WBEFINKIBZSAIE-QKMQQOOLSA-N 1 0 169.268 1.313 20 0 ADADRO C[C@H]([NH2+]C/C=C/CO)c1cccnc1 658141814 409511075 /nfs/dbraw/zinc/51/10/75/409511075.db2.gz WLRUAXYEMQQXCG-PBKGFPTLSA-N 1 0 192.262 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DQRBTVYOHGAGJU-UWVGGRQHSA-N 1 0 185.311 1.999 20 0 ADADRO C[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C 662343230 409719729 /nfs/dbraw/zinc/71/97/29/409719729.db2.gz JJHLOEYEWLOYND-RKDXNWHRSA-N 1 0 171.284 1.345 20 0 ADADRO CCC[C@@H](O)C[N@H+](C)CCC1CC1 308406959 409719763 /nfs/dbraw/zinc/71/97/63/409719763.db2.gz MLSNYBJXHZTKSK-LLVKDONJSA-N 1 0 185.311 1.879 20 0 ADADRO CC(C)[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C 662345471 409719881 /nfs/dbraw/zinc/71/98/81/409719881.db2.gz YZHAEYYDRBVCNA-MNOVXSKESA-N 1 0 199.338 1.981 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)N1CCC(C)CC1 662343952 409719920 /nfs/dbraw/zinc/71/99/20/409719920.db2.gz VVHJXEWESXDFIF-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[N@H+](CCOC(C)C)[C@H](C)CO 308399022 409719966 /nfs/dbraw/zinc/71/99/66/409719966.db2.gz HCKWAIMWBSXXTH-SNVBAGLBSA-N 1 0 189.299 1.114 20 0 ADADRO CCCCCNC(=O)[C@@H](CC)[NH2+]C 662340435 409719968 /nfs/dbraw/zinc/71/99/68/409719968.db2.gz JSXBMYRQJJGMJC-SECBINFHSA-N 1 0 186.299 1.291 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@@H](CC)[NH2+]C 662342838 409720124 /nfs/dbraw/zinc/72/01/24/409720124.db2.gz CXUTYWGGZZDKDN-RKDXNWHRSA-N 1 0 186.299 1.289 20 0 ADADRO CCC[C@H](C)NC(=O)[C@H](CC)[NH2+]C 662342837 409720136 /nfs/dbraw/zinc/72/01/36/409720136.db2.gz CXUTYWGGZZDKDN-IUCAKERBSA-N 1 0 186.299 1.289 20 0 ADADRO CC[C@@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 308402938 409720155 /nfs/dbraw/zinc/72/01/55/409720155.db2.gz JPFDZZRPUKGVPB-HTQZYQBOSA-N 1 0 193.237 1.535 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)NC1CCCCC1 662342481 409720173 /nfs/dbraw/zinc/72/01/73/409720173.db2.gz FXKIGUYUJXINFA-SNVBAGLBSA-N 1 0 198.310 1.433 20 0 ADADRO CCC[C@@H](C)NC(=O)[C@H](CC)[NH2+]C 662342835 409720191 /nfs/dbraw/zinc/72/01/91/409720191.db2.gz CXUTYWGGZZDKDN-BDAKNGLRSA-N 1 0 186.299 1.289 20 0 ADADRO Cc1n[nH]c(C)c1C[NH2+][C@@H](C)CF 308404868 409720202 /nfs/dbraw/zinc/72/02/02/409720202.db2.gz LCMNVQOAXAHOOM-LURJTMIESA-N 1 0 185.246 1.474 20 0 ADADRO COC[C@@H](C)[N@H+](C)C[C@@H]1CC1(C)C 662344767 409720212 /nfs/dbraw/zinc/72/02/12/409720212.db2.gz DQRBTVYOHGAGJU-ZJUUUORDSA-N 1 0 185.311 1.999 20 0 ADADRO CC[C@H](O)C[NH2+][C@H](C)CCC1CC1 308398197 409720309 /nfs/dbraw/zinc/72/03/09/409720309.db2.gz FTNDOBFAAOWXAU-KOLCDFICSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@H](O)CC[N@H+](C)C[C@@H]1CC1(C)C 662345039 409720365 /nfs/dbraw/zinc/72/03/65/409720365.db2.gz UTPKRJKPPSINDC-UWVGGRQHSA-N 1 0 185.311 1.735 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)N1CCCCCC1 662339798 409720513 /nfs/dbraw/zinc/72/05/13/409720513.db2.gz CFOWVPQDNPULQG-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CN(C)C(=O)C[N@H+](C)C[C@@H]1CC1(C)C 662345034 409720563 /nfs/dbraw/zinc/72/05/63/409720563.db2.gz UPNQZZVJHGNAER-VIFPVBQESA-N 1 0 198.310 1.053 20 0 ADADRO COCC[N@H+](C)C[C@H]1CC1(C)C 662343657 409720637 /nfs/dbraw/zinc/72/06/37/409720637.db2.gz BWYGKXAJTHKGHV-SECBINFHSA-N 1 0 171.284 1.611 20 0 ADADRO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CC1(C)C 662344755 409720676 /nfs/dbraw/zinc/72/06/76/409720676.db2.gz SFWSXLYDOBOAFY-VIFPVBQESA-N 1 0 193.294 1.888 20 0 ADADRO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CC1(C)C 662344754 409720706 /nfs/dbraw/zinc/72/07/06/409720706.db2.gz SFWSXLYDOBOAFY-SECBINFHSA-N 1 0 193.294 1.888 20 0 ADADRO CCC[C@H](C)NC(=O)[C@@H](CC)[NH2+]C 662342836 409720751 /nfs/dbraw/zinc/72/07/51/409720751.db2.gz CXUTYWGGZZDKDN-DTWKUNHWSA-N 1 0 186.299 1.289 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)N1CCC(C)CC1 662343955 409720757 /nfs/dbraw/zinc/72/07/57/409720757.db2.gz VVHJXEWESXDFIF-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)NC1CCCCC1 662342480 409720793 /nfs/dbraw/zinc/72/07/93/409720793.db2.gz FXKIGUYUJXINFA-JTQLQIEISA-N 1 0 198.310 1.433 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)N1CCCCCC1 662339799 409720799 /nfs/dbraw/zinc/72/07/99/409720799.db2.gz CFOWVPQDNPULQG-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO COC[C@H](C)[N@H+](C)C[C@H]1CC1(C)C 662344766 409720824 /nfs/dbraw/zinc/72/08/24/409720824.db2.gz DQRBTVYOHGAGJU-VHSXEESVSA-N 1 0 185.311 1.999 20 0 ADADRO C[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C 662343229 409720935 /nfs/dbraw/zinc/72/09/35/409720935.db2.gz JJHLOEYEWLOYND-IUCAKERBSA-N 1 0 171.284 1.345 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)NC1CCCC1 662336891 409720946 /nfs/dbraw/zinc/72/09/46/409720946.db2.gz IEGYCCUFGNMNCT-VIFPVBQESA-N 1 0 184.283 1.043 20 0 ADADRO C[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C 662343227 409720962 /nfs/dbraw/zinc/72/09/62/409720962.db2.gz JJHLOEYEWLOYND-DTWKUNHWSA-N 1 0 171.284 1.345 20 0 ADADRO COCC[N@H+](C)C[C@@H]1CC1(C)C 662343658 409721098 /nfs/dbraw/zinc/72/10/98/409721098.db2.gz BWYGKXAJTHKGHV-VIFPVBQESA-N 1 0 171.284 1.611 20 0 ADADRO CC(C)[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C 662345473 409721108 /nfs/dbraw/zinc/72/11/08/409721108.db2.gz YZHAEYYDRBVCNA-WDEREUQCSA-N 1 0 199.338 1.981 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)NC1CCCC1 662336890 409721198 /nfs/dbraw/zinc/72/11/98/409721198.db2.gz IEGYCCUFGNMNCT-SECBINFHSA-N 1 0 184.283 1.043 20 0 ADADRO C[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C 662343225 409721206 /nfs/dbraw/zinc/72/12/06/409721206.db2.gz JJHLOEYEWLOYND-BDAKNGLRSA-N 1 0 171.284 1.345 20 0 ADADRO C[N@@H+](Cc1cn[nH]c1)C[C@H]1CC1(C)C 662343882 409721264 /nfs/dbraw/zinc/72/12/64/409721264.db2.gz CWFICZKLHURUSU-SNVBAGLBSA-N 1 0 193.294 1.888 20 0 ADADRO CN(C)C(=O)C[N@H+](C)C[C@H]1CC1(C)C 662345033 409721278 /nfs/dbraw/zinc/72/12/78/409721278.db2.gz UPNQZZVJHGNAER-SECBINFHSA-N 1 0 198.310 1.053 20 0 ADADRO C[C@@H](O)CC[N@H+](C)C[C@H]1CC1(C)C 662345038 409721409 /nfs/dbraw/zinc/72/14/09/409721409.db2.gz UTPKRJKPPSINDC-NXEZZACHSA-N 1 0 185.311 1.735 20 0 ADADRO C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CC1(C)C 662343871 409721584 /nfs/dbraw/zinc/72/15/84/409721584.db2.gz CWFICZKLHURUSU-JTQLQIEISA-N 1 0 193.294 1.888 20 0 ADADRO CC(C)[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C 662345470 409721494 /nfs/dbraw/zinc/72/14/94/409721494.db2.gz YZHAEYYDRBVCNA-GHMZBOCLSA-N 1 0 199.338 1.981 20 0 ADADRO CC[N@H+](CC(C)(C)N)C1CCC1 308430093 409721834 /nfs/dbraw/zinc/72/18/34/409721834.db2.gz ZEQKJBGNASRHIR-UHFFFAOYSA-N 1 0 170.300 1.598 20 0 ADADRO COCC[C@H](C)[N@@H+]1CCO[C@H](C)C1 308456925 409722058 /nfs/dbraw/zinc/72/20/58/409722058.db2.gz GHQRLCRCAVGSSA-VHSXEESVSA-N 1 0 187.283 1.132 20 0 ADADRO C[C@H](CCC[NH3+])NC(=O)C1CC=CC1 308468928 409722169 /nfs/dbraw/zinc/72/21/69/409722169.db2.gz HYKPKFYFLRIBOW-SECBINFHSA-N 1 0 196.294 1.196 20 0 ADADRO COCCC[C@H](C)[NH2+][C@@H]1CCOC1 308462707 409722265 /nfs/dbraw/zinc/72/22/65/409722265.db2.gz IBUOEUPFEATVMY-VHSXEESVSA-N 1 0 187.283 1.180 20 0 ADADRO CCCC[NH2+][C@@](C)(CN)C1CC1 308426197 409722305 /nfs/dbraw/zinc/72/23/05/409722305.db2.gz WYBVHXIDJZQIFI-JTQLQIEISA-N 1 0 170.300 1.504 20 0 ADADRO COCC[C@@H](C)[N@@H+]1CCO[C@H](C)C1 308456913 409722498 /nfs/dbraw/zinc/72/24/98/409722498.db2.gz GHQRLCRCAVGSSA-NXEZZACHSA-N 1 0 187.283 1.132 20 0 ADADRO CCNC(=O)C[N@H+](C)C[C@@H]1CC1(C)C 662347909 409722611 /nfs/dbraw/zinc/72/26/11/409722611.db2.gz LNJAAKAGUNVGKG-VIFPVBQESA-N 1 0 198.310 1.100 20 0 ADADRO COC1(C[NH2+][C@@H](C)CF)CCCC1 308439720 409722654 /nfs/dbraw/zinc/72/26/54/409722654.db2.gz YLKGHNJXWXESJI-VIFPVBQESA-N 1 0 189.274 1.893 20 0 ADADRO COCC[C@H](C)[N@@H+]1CCO[C@@H](C)C1 308456919 409722811 /nfs/dbraw/zinc/72/28/11/409722811.db2.gz GHQRLCRCAVGSSA-UWVGGRQHSA-N 1 0 187.283 1.132 20 0 ADADRO CCC[C@H](C)[N@@H+]1CCCN(C)CC1 662379919 409722910 /nfs/dbraw/zinc/72/29/10/409722910.db2.gz KKLRDQFGRPHACH-NSHDSACASA-N 1 0 184.327 1.813 20 0 ADADRO CC[N@H+](C)C[C@H]1CC1(C)C 662347381 409723022 /nfs/dbraw/zinc/72/30/22/409723022.db2.gz JOHPXAMXNKRXCD-MRVPVSSYSA-N 1 0 141.258 1.984 20 0 ADADRO CCCN(CC)C(=O)[C@@H](CC)[NH2+]C 662379358 409723074 /nfs/dbraw/zinc/72/30/74/409723074.db2.gz OEQPSLARJHTHQT-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO CCCCN(C)C(=O)[C@@H](CC)[NH2+]C 662355563 409723101 /nfs/dbraw/zinc/72/31/01/409723101.db2.gz CFESCPLLVQAPMC-SECBINFHSA-N 1 0 186.299 1.243 20 0 ADADRO C[N@H+](CCCO)C[C@@H]1CC1(C)C 662345573 409723488 /nfs/dbraw/zinc/72/34/88/409723488.db2.gz JLGOPZWHXAFXRT-VIFPVBQESA-N 1 0 171.284 1.347 20 0 ADADRO CCC1(C(=O)NCC2([NH3+])CCC2)CC1 308469485 409723107 /nfs/dbraw/zinc/72/31/07/409723107.db2.gz BDMYEBZSALELPZ-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO CCC(CC)NC(=O)[C@@H](CC)[NH2+]C 662349760 409723211 /nfs/dbraw/zinc/72/32/11/409723211.db2.gz KQZASLRCFBQCCF-SECBINFHSA-N 1 0 186.299 1.289 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)NCCC(C)C 662348720 409723222 /nfs/dbraw/zinc/72/32/22/409723222.db2.gz UFGUBBLMYMEQGG-VIFPVBQESA-N 1 0 186.299 1.147 20 0 ADADRO CO[C@@H](C)C[N@H+](C)C[C@H]1CC1(C)C 662345838 409723250 /nfs/dbraw/zinc/72/32/50/409723250.db2.gz MIHBCDIBOFAXJF-VHSXEESVSA-N 1 0 185.311 1.999 20 0 ADADRO CCCC[NH2+][C@](C)(CN)C1CC1 308426198 409723290 /nfs/dbraw/zinc/72/32/90/409723290.db2.gz WYBVHXIDJZQIFI-SNVBAGLBSA-N 1 0 170.300 1.504 20 0 ADADRO C[C@@H](CCC[NH3+])NC(=O)C1CC=CC1 308468932 409723345 /nfs/dbraw/zinc/72/33/45/409723345.db2.gz HYKPKFYFLRIBOW-VIFPVBQESA-N 1 0 196.294 1.196 20 0 ADADRO CCCCN(C)C(=O)[C@H](CC)[NH2+]C 662355564 409723391 /nfs/dbraw/zinc/72/33/91/409723391.db2.gz CFESCPLLVQAPMC-VIFPVBQESA-N 1 0 186.299 1.243 20 0 ADADRO CC/C=C\CC[N@@H+]1CCCN(C)CC1 662379921 409723402 /nfs/dbraw/zinc/72/34/02/409723402.db2.gz LLPGAWGXZSZUBG-PLNGDYQASA-N 1 0 196.338 1.980 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)NCC1CCCC1 662379911 409723449 /nfs/dbraw/zinc/72/34/49/409723449.db2.gz FUINPBQNFFKAIF-SNVBAGLBSA-N 1 0 198.310 1.291 20 0 ADADRO CNC(=O)CC[N@H+](C)C[C@H]1CC1(C)C 662346945 409723602 /nfs/dbraw/zinc/72/36/02/409723602.db2.gz GEOILHVMZMFCFO-SECBINFHSA-N 1 0 198.310 1.100 20 0 ADADRO CC[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C 662347259 409723571 /nfs/dbraw/zinc/72/35/71/409723571.db2.gz ZEMGEJOWBWPQAH-VHSXEESVSA-N 1 0 185.311 1.735 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H](C)C1 662346757 409723582 /nfs/dbraw/zinc/72/35/82/409723582.db2.gz ZQGODAMBMTXINS-VHSXEESVSA-N 1 0 198.310 1.243 20 0 ADADRO COCC[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 308456931 409723597 /nfs/dbraw/zinc/72/35/97/409723597.db2.gz GHQRLCRCAVGSSA-ZJUUUORDSA-N 1 0 187.283 1.132 20 0 ADADRO CNC(=O)CC[N@H+](C)C[C@@H]1CC1(C)C 662346946 409723636 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SMYVFRYVZIDFLM-SECBINFHSA-N 1 0 193.294 1.470 20 0 ADADRO CCC(CC)[N@H+](C[C@@H](C)N)C1CC1 308663037 409751503 /nfs/dbraw/zinc/75/15/03/409751503.db2.gz RBNQPAFUUQJORY-SECBINFHSA-N 1 0 184.327 1.987 20 0 ADADRO CCC(C)(C)CC[N@@H+]1CC[C@H](N)C1 308675331 409751542 /nfs/dbraw/zinc/75/15/42/409751542.db2.gz WBJQNTYJCMEUBV-JTQLQIEISA-N 1 0 184.327 1.846 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)NCC1=CCCC1 662707477 409752043 /nfs/dbraw/zinc/75/20/43/409752043.db2.gz FPXVSCABDZVPHD-SNVBAGLBSA-N 1 0 196.294 1.211 20 0 ADADRO C[NH2+]CCCC(=O)N[C@@]1(C)CC1(C)C 662706588 409752388 /nfs/dbraw/zinc/75/23/88/409752388.db2.gz DZDZNKLJXXOXKU-NSHDSACASA-N 1 0 198.310 1.291 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NCCCC1CCC1 662664980 409752506 /nfs/dbraw/zinc/75/25/06/409752506.db2.gz FORZNXUVUYLZBH-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO C[NH2+]CCCC(=O)N[C@]1(C)CC1(C)C 662706586 409752749 /nfs/dbraw/zinc/75/27/49/409752749.db2.gz DZDZNKLJXXOXKU-LLVKDONJSA-N 1 0 198.310 1.291 20 0 ADADRO 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198.310 1.289 20 0 ADADRO C[NH2+]CCC(=O)NCCCC1CCC1 662667009 409753310 /nfs/dbraw/zinc/75/33/10/409753310.db2.gz UXJQPUKLMGOOME-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO [NH3+]CCCC(=O)NCCCC1CCC1 662667037 409753400 /nfs/dbraw/zinc/75/34/00/409753400.db2.gz VKRXHELBZDNMMH-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)NCC1=CCCC1 662707476 409753612 /nfs/dbraw/zinc/75/36/12/409753612.db2.gz FPXVSCABDZVPHD-JTQLQIEISA-N 1 0 196.294 1.211 20 0 ADADRO CC[C@@H]([NH3+])C(=O)NCCCC1CCC1 662665356 409753638 /nfs/dbraw/zinc/75/36/38/409753638.db2.gz IFARZTMHIGTOFD-SNVBAGLBSA-N 1 0 198.310 1.420 20 0 ADADRO CCC1(C(=O)NC[C@H](C)C[NH3+])CCC1 308844531 409753888 /nfs/dbraw/zinc/75/38/88/409753888.db2.gz LONVNNPAURXYEO-SECBINFHSA-N 1 0 198.310 1.278 20 0 ADADRO [NH3+][C@H]1CCN(C(=O)CCC2CCC2)C1 308837345 409753970 /nfs/dbraw/zinc/75/39/70/409753970.db2.gz LULURMIZIBGLPA-JTQLQIEISA-N 1 0 196.294 1.126 20 0 ADADRO C[C@@H](C[NH3+])N(C)Cc1cccc(N)c1 308845079 409754024 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20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CO 308730499 409754725 /nfs/dbraw/zinc/75/47/25/409754725.db2.gz JBUFRJXJWISRQH-KKOKHZNYSA-N 1 0 197.322 1.926 20 0 ADADRO CC(C)([NH3+])CC(=O)NCC1=CCCC1 662707864 409754746 /nfs/dbraw/zinc/75/47/46/409754746.db2.gz NFJIHXKBVYPLOD-UHFFFAOYSA-N 1 0 196.294 1.340 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)N[C@@]1(C)CC1(C)C 662707628 409754804 /nfs/dbraw/zinc/75/48/04/409754804.db2.gz NHIHNGPLOHWUAI-KWQFWETISA-N 1 0 198.310 1.289 20 0 ADADRO CC1(C)C[C@@]1(C)NC(=O)CCCC[NH3+] 662707999 409754841 /nfs/dbraw/zinc/75/48/41/409754841.db2.gz REXHEXLFFQRHLO-LLVKDONJSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)N[C@@]1(C)CC1(C)C 662707609 409755037 /nfs/dbraw/zinc/75/50/37/409755037.db2.gz NHIHNGPLOHWUAI-KCJUWKMLSA-N 1 0 198.310 1.289 20 0 ADADRO CC1(C)C[C@]1(C)NC(=O)CCC[NH3+] 662708749 409755273 /nfs/dbraw/zinc/75/52/73/409755273.db2.gz ZREYFHWACHELAN-JTQLQIEISA-N 1 0 184.283 1.030 20 0 ADADRO CN(CCCC1CCCC1)C1C[NH2+]C1 308859627 409757805 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ZREYFHWACHELAN-SNVBAGLBSA-N 1 0 184.283 1.030 20 0 ADADRO CCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 308883771 409756532 /nfs/dbraw/zinc/75/65/32/409756532.db2.gz RQJVRIGNPUCSAH-SECBINFHSA-N 1 0 198.310 1.148 20 0 ADADRO CC[NH2+]CCNC(=O)C1(CC)CCC1 308883712 409756166 /nfs/dbraw/zinc/75/61/66/409756166.db2.gz RKXMCAIDXOMOEC-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO C[C@H]([NH3+])[C@@H](C)C(=O)NC1(C2CC2)CC1 308856674 409756210 /nfs/dbraw/zinc/75/62/10/409756210.db2.gz QDBITBBCFGDOER-SFYZADRCSA-N 1 0 196.294 1.029 20 0 ADADRO CCC1(C(=O)N[C@@H](C)CC[NH3+])CCC1 308860274 409756220 /nfs/dbraw/zinc/75/62/20/409756220.db2.gz REMYWTNERJGRSE-VIFPVBQESA-N 1 0 198.310 1.420 20 0 ADADRO C[NH2+]CCCN(C)c1cccc(O)c1 308864664 409756231 /nfs/dbraw/zinc/75/62/31/409756231.db2.gz DMSBCHJVNMDPFS-UHFFFAOYSA-N 1 0 194.278 1.438 20 0 ADADRO C[C@@H](C1CC1)N(C(=O)[C@@H](C)[NH3+])C1CC1 308852684 409756300 /nfs/dbraw/zinc/75/63/00/409756300.db2.gz RUNZBUVYXAFJAV-SFYZADRCSA-N 1 0 196.294 1.123 20 0 ADADRO 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/nfs/dbraw/zinc/75/71/25/409757125.db2.gz RARXUDDRRZNCKK-UHFFFAOYSA-N 1 0 198.310 1.387 20 0 ADADRO [NH3+]CCCCC(=O)N[C@]12CCC[C@H]1C2 662847539 409757166 /nfs/dbraw/zinc/75/71/66/409757166.db2.gz GVSUODXRGIISLP-ONGXEEELSA-N 1 0 196.294 1.174 20 0 ADADRO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC=CCC1 662828160 409757178 /nfs/dbraw/zinc/75/71/78/409757178.db2.gz TXLOIRWWNSAYPL-VHSXEESVSA-N 1 0 196.294 1.209 20 0 ADADRO CC(C)([NH3+])CC(=O)N[C@]12CCC[C@H]1C2 662847435 409757425 /nfs/dbraw/zinc/75/74/25/409757425.db2.gz DPXWINJRNUOMKL-KWQFWETISA-N 1 0 196.294 1.173 20 0 ADADRO CC[C@H](C)N(CC)C(=O)[C@H]1C[C@@H]([NH3+])C1 662839806 409757210 /nfs/dbraw/zinc/75/72/10/409757210.db2.gz YOKDOWQRRQWOFS-LPEHRKFASA-N 1 0 198.310 1.371 20 0 ADADRO CCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1CCC1 308878924 409757245 /nfs/dbraw/zinc/75/72/45/409757245.db2.gz SZDAVHUPEBLIHE-BDAKNGLRSA-N 1 0 198.310 1.371 20 0 ADADRO C[C@H](C(=O)NC1(C2CC2)CC1)[C@@H](C)[NH3+] 308856673 409757338 /nfs/dbraw/zinc/75/73/38/409757338.db2.gz QDBITBBCFGDOER-JGVFFNPUSA-N 1 0 196.294 1.029 20 0 ADADRO CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1CCC1 308878926 409757357 /nfs/dbraw/zinc/75/73/57/409757357.db2.gz SZDAVHUPEBLIHE-DTWKUNHWSA-N 1 0 198.310 1.371 20 0 ADADRO [NH3+]CCNC(=O)CCCC1CCCC1 308864496 409757409 /nfs/dbraw/zinc/75/74/09/409757409.db2.gz WJKYXCRHHFUMSG-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO CC[C@H]([NH2+]C)C(=O)N(C)C(C)(C)C 662825821 409757446 /nfs/dbraw/zinc/75/74/46/409757446.db2.gz YWKNRLNGXHPDNM-QMMMGPOBSA-N 1 0 186.299 1.241 20 0 ADADRO CC[C@@H](C)N(CC)C(=O)[C@H]1C[C@@H]([NH3+])C1 662839804 409757483 /nfs/dbraw/zinc/75/74/83/409757483.db2.gz YOKDOWQRRQWOFS-BBBLOLIVSA-N 1 0 198.310 1.371 20 0 ADADRO CCCN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 662804173 409757564 /nfs/dbraw/zinc/75/75/64/409757564.db2.gz XVAPPECQADKTLI-KYZUINATSA-N 1 0 196.294 1.125 20 0 ADADRO CC1(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 662811014 409757575 /nfs/dbraw/zinc/75/75/75/409757575.db2.gz UIIDTQRGASLSAU-KYZUINATSA-N 1 0 196.294 1.030 20 0 ADADRO 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308990533 409762416 /nfs/dbraw/zinc/76/24/16/409762416.db2.gz KZTDLWOFGVSLNO-VHSXEESVSA-N 1 0 198.310 1.420 20 0 ADADRO CC(C)N(C)C(=O)CC[C@@H]1CCC[NH2+]1 308956370 409762624 /nfs/dbraw/zinc/76/26/24/409762624.db2.gz XNISPWGXVIFSQO-JTQLQIEISA-N 1 0 198.310 1.385 20 0 ADADRO CCC(CC)N(C(=O)CC[NH3+])C1CC1 308972780 409762456 /nfs/dbraw/zinc/76/24/56/409762456.db2.gz FRWBHQOERVIBOQ-UHFFFAOYSA-N 1 0 198.310 1.515 20 0 ADADRO CCCC[C@H]1CCC[C@H]1NC(=O)C[NH3+] 309006825 409762540 /nfs/dbraw/zinc/76/25/40/409762540.db2.gz QCYRANQVGTVROD-VHSXEESVSA-N 1 0 198.310 1.420 20 0 ADADRO C[NH2+][C@@H](C)C(=O)NC1CC2(CCC2)C1 662905314 409762580 /nfs/dbraw/zinc/76/25/80/409762580.db2.gz AAPSSSPAZNGYKT-QMMMGPOBSA-N 1 0 196.294 1.043 20 0 ADADRO C[NH2+]CCC(=O)NC1(CC(C)C)CC1 662925733 409762633 /nfs/dbraw/zinc/76/26/33/409762633.db2.gz KQAPSXIBDNSVBS-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCC[C@H](C)CC(=O)N1CC[C@H]([NH3+])C1 309000293 409762733 /nfs/dbraw/zinc/76/27/33/409762733.db2.gz NXKSSFJMXHPGLF-UWVGGRQHSA-N 1 0 198.310 1.372 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)c1cccs1 662957431 409762783 /nfs/dbraw/zinc/76/27/83/409762783.db2.gz WDTPDYYXFHTBBS-ZETCQYMHSA-N 1 0 198.291 1.086 20 0 ADADRO CCCC(=O)N1CC[NH2+]C[C@H]1CCC 308956267 409762787 /nfs/dbraw/zinc/76/27/87/409762787.db2.gz XLDGVEMCRKOKPB-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO C[C@@H]([NH3+])CC(=O)NC1CC2(CCC2)C1 662907700 409762794 /nfs/dbraw/zinc/76/27/94/409762794.db2.gz VEENPNPVFGBPGT-MRVPVSSYSA-N 1 0 196.294 1.173 20 0 ADADRO CCC[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] 308990531 409762864 /nfs/dbraw/zinc/76/28/64/409762864.db2.gz KZTDLWOFGVSLNO-NXEZZACHSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H]([NH3+])C(=O)NC1(CC(C)C)CC1 662925356 409762886 /nfs/dbraw/zinc/76/28/86/409762886.db2.gz IFLBZBVSFKORCS-VIFPVBQESA-N 1 0 198.310 1.419 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)CCC1CCC1 662960190 409762921 /nfs/dbraw/zinc/76/29/21/409762921.db2.gz MCUIGQMGKWFBOT-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO CCCCC(=O)N1CCC(C)([NH3+])CC1 308983472 409763002 /nfs/dbraw/zinc/76/30/02/409763002.db2.gz IXVGUGDHVUDOLU-UHFFFAOYSA-N 1 0 198.310 1.516 20 0 ADADRO CCC[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C1 309000292 409763031 /nfs/dbraw/zinc/76/30/31/409763031.db2.gz NXKSSFJMXHPGLF-NXEZZACHSA-N 1 0 198.310 1.372 20 0 ADADRO C[C@@H](C[NH3+])N(C)C(=O)CCC1CCC1 308991603 409763073 /nfs/dbraw/zinc/76/30/73/409763073.db2.gz LHLLWQWHKAZAEP-VIFPVBQESA-N 1 0 198.310 1.372 20 0 ADADRO C[C@H]([NH3+])CNC(=O)C[C@@H]1CC[C@@H](C)C1 309006592 409763088 /nfs/dbraw/zinc/76/30/88/409763088.db2.gz QBRIOMPSXHGIKN-KXUCPTDWSA-N 1 0 198.310 1.276 20 0 ADADRO CCC[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] 308990534 409763104 /nfs/dbraw/zinc/76/31/04/409763104.db2.gz KZTDLWOFGVSLNO-ZJUUUORDSA-N 1 0 198.310 1.420 20 0 ADADRO CCC[C@@H](C)CC(=O)N1CC[C@H]([NH3+])C1 309000295 409763186 /nfs/dbraw/zinc/76/31/86/409763186.db2.gz NXKSSFJMXHPGLF-ZJUUUORDSA-N 1 0 198.310 1.372 20 0 ADADRO CCC1(C(=O)N[C@@H](C)C[NH2+]C)CCC1 662958984 409763201 /nfs/dbraw/zinc/76/32/01/409763201.db2.gz CUQRBRVODXCBHV-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CCCN(C)C(=O)CC[C@@H]1CCC[NH2+]1 308962059 409763214 /nfs/dbraw/zinc/76/32/14/409763214.db2.gz ZWKGKHWBABOSCN-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CC[C@H]([NH3+])C(=O)NC1CC2(CCC2)C1 662909469 409763244 /nfs/dbraw/zinc/76/32/44/409763244.db2.gz MIODWRZCUGCQLQ-VIFPVBQESA-N 1 0 196.294 1.173 20 0 ADADRO CC(C)N(C(=O)C[NH2+]C1CC1)C1CC1 308960676 409763251 /nfs/dbraw/zinc/76/32/51/409763251.db2.gz ZCTFWRIFPBQMJO-UHFFFAOYSA-N 1 0 196.294 1.138 20 0 ADADRO CC[C@@H]([NH3+])C(=O)NC1(CC(C)C)CC1 662925354 409763279 /nfs/dbraw/zinc/76/32/79/409763279.db2.gz IFLBZBVSFKORCS-SECBINFHSA-N 1 0 198.310 1.419 20 0 ADADRO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCC[NH2+]1 662917804 409763327 /nfs/dbraw/zinc/76/33/27/409763327.db2.gz YYBXXGFBAFSZLZ-KCJUWKMLSA-N 1 0 196.294 1.043 20 0 ADADRO CCCC(=O)N1CC[NH2+]C[C@@H]1CCC 308956265 409763328 /nfs/dbraw/zinc/76/33/28/409763328.db2.gz XLDGVEMCRKOKPB-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO C[C@@H]1CC[C@@H](CC(=O)N[C@H](C)C[NH3+])C1 309009960 409763344 /nfs/dbraw/zinc/76/33/44/409763344.db2.gz RJOFQJDXGOPCJE-OPRDCNLKSA-N 1 0 198.310 1.276 20 0 ADADRO CC1(C)C[C@@]1(C)NC(=O)[C@H]1CCC[NH2+]1 662917805 409763362 /nfs/dbraw/zinc/76/33/62/409763362.db2.gz YYBXXGFBAFSZLZ-LDYMZIIASA-N 1 0 196.294 1.043 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)c1ccsc1 662958124 409763443 /nfs/dbraw/zinc/76/34/43/409763443.db2.gz UHILTNBAUDTOER-ZETCQYMHSA-N 1 0 198.291 1.086 20 0 ADADRO C[C@H]1CC[C@H](CC(=O)N[C@H](C)C[NH3+])C1 309009957 409763478 /nfs/dbraw/zinc/76/34/78/409763478.db2.gz RJOFQJDXGOPCJE-AEJSXWLSSA-N 1 0 198.310 1.276 20 0 ADADRO CC[C@H](C)CN(CC)C(=O)[C@H]1CC[NH2+]1 308947755 409763496 /nfs/dbraw/zinc/76/34/96/409763496.db2.gz SYRZVABMQGYKPF-VHSXEESVSA-N 1 0 198.310 1.243 20 0 ADADRO C[C@H]([NH3+])CNC(=O)C[C@H]1CC[C@@H](C)C1 309006594 409763510 /nfs/dbraw/zinc/76/35/10/409763510.db2.gz QBRIOMPSXHGIKN-UTLUCORTSA-N 1 0 198.310 1.276 20 0 ADADRO CCCCN(C(=O)[C@H]1CC[NH2+]1)C1CC1 308960632 409763564 /nfs/dbraw/zinc/76/35/64/409763564.db2.gz ZCIFRCKDTALZIE-SNVBAGLBSA-N 1 0 196.294 1.139 20 0 ADADRO C[C@H]([NH3+])CNC(=O)C[C@H]1CC[C@H](C)C1 309006591 409763596 /nfs/dbraw/zinc/76/35/96/409763596.db2.gz QBRIOMPSXHGIKN-GUBZILKMSA-N 1 0 198.310 1.276 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)c1ccsc1 662958122 409763697 /nfs/dbraw/zinc/76/36/97/409763697.db2.gz UHILTNBAUDTOER-SSDOTTSWSA-N 1 0 198.291 1.086 20 0 ADADRO CCCC[C@@H]1CCC[C@@H]1NC(=O)C[NH3+] 309006826 409763704 /nfs/dbraw/zinc/76/37/04/409763704.db2.gz QCYRANQVGTVROD-ZJUUUORDSA-N 1 0 198.310 1.420 20 0 ADADRO CCC[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C1 309000294 409763773 /nfs/dbraw/zinc/76/37/73/409763773.db2.gz NXKSSFJMXHPGLF-VHSXEESVSA-N 1 0 198.310 1.372 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)c1cccs1 662957430 409763845 /nfs/dbraw/zinc/76/38/45/409763845.db2.gz WDTPDYYXFHTBBS-SSDOTTSWSA-N 1 0 198.291 1.086 20 0 ADADRO CCC1(C(=O)N[C@H](C)C[NH2+]C)CCC1 662958983 409763920 /nfs/dbraw/zinc/76/39/20/409763920.db2.gz CUQRBRVODXCBHV-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO C[C@H](C[NH3+])N(C)C(=O)CCC1CCC1 308991602 409763926 /nfs/dbraw/zinc/76/39/26/409763926.db2.gz LHLLWQWHKAZAEP-SECBINFHSA-N 1 0 198.310 1.372 20 0 ADADRO [NH3+]CC(=O)N(C1CCCCC1)C1CC1 308981870 409764001 /nfs/dbraw/zinc/76/40/01/409764001.db2.gz IMRYJUHLQGHACO-UHFFFAOYSA-N 1 0 196.294 1.269 20 0 ADADRO C[C@H]([NH3+])CNC(=O)C[C@@H]1CC[C@H](C)C1 309006593 409764088 /nfs/dbraw/zinc/76/40/88/409764088.db2.gz QBRIOMPSXHGIKN-LPEHRKFASA-N 1 0 198.310 1.276 20 0 ADADRO CC[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 662906300 409764335 /nfs/dbraw/zinc/76/43/35/409764335.db2.gz MIODWRZCUGCQLQ-SECBINFHSA-N 1 0 196.294 1.173 20 0 ADADRO CC1(C)C[C@]1(C)NC(=O)[C@H]1C[C@H]([NH3+])C1 662917418 409764382 /nfs/dbraw/zinc/76/43/82/409764382.db2.gz QFUQLBBRQPBPNB-LAEOZQHASA-N 1 0 196.294 1.029 20 0 ADADRO C[C@H]1CC[C@@H](CC(=O)N[C@H](C)C[NH3+])C1 309009959 409764466 /nfs/dbraw/zinc/76/44/66/409764466.db2.gz RJOFQJDXGOPCJE-IVZWLZJFSA-N 1 0 198.310 1.276 20 0 ADADRO CC1(C)C[C@@]1(C)NC(=O)[C@H]1C[C@H]([NH3+])C1 662917420 409764469 /nfs/dbraw/zinc/76/44/69/409764469.db2.gz QFUQLBBRQPBPNB-SOCHQFKDSA-N 1 0 196.294 1.029 20 0 ADADRO C[NH2+]CCC(=O)NC1CC2(CCC2)C1 662906574 409764529 /nfs/dbraw/zinc/76/45/29/409764529.db2.gz OAIFKLUOQGPIPO-UHFFFAOYSA-N 1 0 196.294 1.045 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)CCC1CCC1 662960193 409764721 /nfs/dbraw/zinc/76/47/21/409764721.db2.gz MCUIGQMGKWFBOT-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@H]1CCC[C@H](C)N1C(=O)C[NH3+] 662936901 409764868 /nfs/dbraw/zinc/76/48/68/409764868.db2.gz NCWQOAMSMQFGPJ-DTWKUNHWSA-N 1 0 184.283 1.125 20 0 ADADRO CCCC[C@H]1CCC[C@@H]1NC(=O)C[NH3+] 309006824 409764870 /nfs/dbraw/zinc/76/48/70/409764870.db2.gz QCYRANQVGTVROD-UWVGGRQHSA-N 1 0 198.310 1.420 20 0 ADADRO [NH3+]CCCC(=O)NC1CC2(CCC2)C1 662909421 409764892 /nfs/dbraw/zinc/76/48/92/409764892.db2.gz KVASCMLLICJUNU-UHFFFAOYSA-N 1 0 196.294 1.174 20 0 ADADRO CCCC[C@@H]1CCC[C@H]1NC(=O)C[NH3+] 309006823 409764903 /nfs/dbraw/zinc/76/49/03/409764903.db2.gz QCYRANQVGTVROD-NXEZZACHSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@@H](C[NH3+])C(=O)NC1CC2(CCC2)C1 662907216 409764948 /nfs/dbraw/zinc/76/49/48/409764948.db2.gz RMVUWPXNUYUHIJ-QMMMGPOBSA-N 1 0 196.294 1.030 20 0 ADADRO CC(C)CC1(NC(=O)CCC[NH3+])CC1 662927055 409765032 /nfs/dbraw/zinc/76/50/32/409765032.db2.gz ZUVCHCOEBIXVIA-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO C[C@H](C[NH3+])C(=O)NC1CC2(CCC2)C1 662907212 409765088 /nfs/dbraw/zinc/76/50/88/409765088.db2.gz RMVUWPXNUYUHIJ-MRVPVSSYSA-N 1 0 196.294 1.030 20 0 ADADRO CC1(C)C[C@]1(C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 662917419 409765091 /nfs/dbraw/zinc/76/50/91/409765091.db2.gz QFUQLBBRQPBPNB-RNSXUZJQSA-N 1 0 196.294 1.029 20 0 ADADRO CC1(C)C[C@@]1(C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 662917421 409765097 /nfs/dbraw/zinc/76/50/97/409765097.db2.gz QFUQLBBRQPBPNB-VHSKPIJISA-N 1 0 196.294 1.029 20 0 ADADRO CCC[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] 308990532 409765106 /nfs/dbraw/zinc/76/51/06/409765106.db2.gz KZTDLWOFGVSLNO-UWVGGRQHSA-N 1 0 198.310 1.420 20 0 ADADRO CC(C)CC1(NC(=O)C[C@@H](C)[NH3+])CC1 662925028 409765147 /nfs/dbraw/zinc/76/51/47/409765147.db2.gz DLGLCXDUACOGME-SECBINFHSA-N 1 0 198.310 1.419 20 0 ADADRO CN(C[C@@H]1CC1(C)C)C(=O)C(C)(C)[NH3+] 662991177 409766129 /nfs/dbraw/zinc/76/61/29/409766129.db2.gz QWQWFONPOHVJHR-QMMMGPOBSA-N 1 0 198.310 1.228 20 0 ADADRO [NH3+]CC(=O)NCCCC1CCCCC1 309085113 409766661 /nfs/dbraw/zinc/76/66/61/409766661.db2.gz WIKDOWBHBHULAW-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)C[C@H]1C=CCC1 662969379 409765880 /nfs/dbraw/zinc/76/58/80/409765880.db2.gz MPFGVKNKZITIMQ-ZJUUUORDSA-N 1 0 196.294 1.067 20 0 ADADRO C[C@H](C[NH3+])C(=O)N(C)C[C@@H]1CC1(C)C 662991315 409765967 /nfs/dbraw/zinc/76/59/67/409765967.db2.gz RVDRBDVZLJYHAL-BDAKNGLRSA-N 1 0 198.310 1.086 20 0 ADADRO CC1(C(=O)N[C@H](C[NH3+])C2CC2)CCC1 309019892 409766106 /nfs/dbraw/zinc/76/61/06/409766106.db2.gz WKFPGFRILSZQMH-SECBINFHSA-N 1 0 196.294 1.030 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)C[C@H]1C=CCC1 662969377 409766144 /nfs/dbraw/zinc/76/61/44/409766144.db2.gz MPFGVKNKZITIMQ-UWVGGRQHSA-N 1 0 196.294 1.067 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC=CCC1 662970367 409766198 /nfs/dbraw/zinc/76/61/98/409766198.db2.gz XBOBNFQQOGEJFT-VHSXEESVSA-N 1 0 196.294 1.067 20 0 ADADRO CN(C[C@H]1CC1(C)C)C(=O)CCC[NH3+] 662991617 409766209 /nfs/dbraw/zinc/76/62/09/409766209.db2.gz WBPVQKSPOITWMQ-SECBINFHSA-N 1 0 198.310 1.230 20 0 ADADRO C[NH2+]CCC(=O)N(C(C)C)C1CCC1 309076421 409766499 /nfs/dbraw/zinc/76/64/99/409766499.db2.gz KXXVMVYXFNDBLD-UHFFFAOYSA-N 1 0 198.310 1.385 20 0 ADADRO CC1(C(=O)N[C@@H](C[NH3+])C2CC2)CCC1 309019893 409766570 /nfs/dbraw/zinc/76/65/70/409766570.db2.gz WKFPGFRILSZQMH-VIFPVBQESA-N 1 0 196.294 1.030 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC=CCC1 662970365 409766627 /nfs/dbraw/zinc/76/66/27/409766627.db2.gz XBOBNFQQOGEJFT-NXEZZACHSA-N 1 0 196.294 1.067 20 0 ADADRO CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC1(C)C 662991627 409766638 /nfs/dbraw/zinc/76/66/38/409766638.db2.gz WFANJFNYDPULEE-BDAKNGLRSA-N 1 0 198.310 1.228 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1C=CCC1 662969376 409766711 /nfs/dbraw/zinc/76/67/11/409766711.db2.gz MPFGVKNKZITIMQ-NXEZZACHSA-N 1 0 196.294 1.067 20 0 ADADRO C[C@@H](C[NH3+])C(=O)N(C)C[C@H]1CC1(C)C 662991316 409766809 /nfs/dbraw/zinc/76/68/09/409766809.db2.gz RVDRBDVZLJYHAL-DTWKUNHWSA-N 1 0 198.310 1.086 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)C[C@@H]1C=CCC1 662969378 409766911 /nfs/dbraw/zinc/76/69/11/409766911.db2.gz MPFGVKNKZITIMQ-VHSXEESVSA-N 1 0 196.294 1.067 20 0 ADADRO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC=CCC1 662970368 409767643 /nfs/dbraw/zinc/76/76/43/409767643.db2.gz XBOBNFQQOGEJFT-ZJUUUORDSA-N 1 0 196.294 1.067 20 0 ADADRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CC=CCC1 662970366 409766994 /nfs/dbraw/zinc/76/69/94/409766994.db2.gz XBOBNFQQOGEJFT-UWVGGRQHSA-N 1 0 196.294 1.067 20 0 ADADRO CN(C[C@@H]1CC1(C)C)C(=O)CCC[NH3+] 662991618 409767177 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/nfs/dbraw/zinc/77/66/62/409776662.db2.gz VYPKPIHKULCZDL-NXEZZACHSA-N 1 0 189.274 1.751 20 0 ADADRO C[C@H]([NH2+]CCOCCF)C1CC1 663340179 409776682 /nfs/dbraw/zinc/77/66/82/409776682.db2.gz KGICHCNMEZZSRK-QMMMGPOBSA-N 1 0 175.247 1.361 20 0 ADADRO CC[C@@H](C)C[NH2+]CCOCCF 663340918 409776735 /nfs/dbraw/zinc/77/67/35/409776735.db2.gz KUZVAMSRJWMCAO-SECBINFHSA-N 1 0 177.263 1.608 20 0 ADADRO CCNC(=O)C(C)(C)[NH2+]CCC1CC1 313080973 409776750 /nfs/dbraw/zinc/77/67/50/409776750.db2.gz ZCQDMJJJOXCOLH-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCC[C@H]([NH2+]CCO)C1CCCC1 313385937 409776775 /nfs/dbraw/zinc/77/67/75/409776775.db2.gz HNJDBLQJUBFAKZ-NSHDSACASA-N 1 0 185.311 1.927 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]CCOCCF)C1 663341094 409776810 /nfs/dbraw/zinc/77/68/10/409776810.db2.gz VYPKPIHKULCZDL-VHSXEESVSA-N 1 0 189.274 1.751 20 0 ADADRO CC(C)C[C@@H](C)[NH2+]CCOCCF 663341062 409776937 /nfs/dbraw/zinc/77/69/37/409776937.db2.gz VFEQMAZAYOSVHS-SNVBAGLBSA-N 1 0 191.290 1.997 20 0 ADADRO FCCOCC[NH2+]Cc1ccccn1 663340012 409776957 /nfs/dbraw/zinc/77/69/57/409776957.db2.gz HXWCSDUIGNZQGF-UHFFFAOYSA-N 1 0 198.241 1.157 20 0 ADADRO C[C@@H]1CCC[C@@H]1[NH2+]CCOCCF 663340996 409776986 /nfs/dbraw/zinc/77/69/86/409776986.db2.gz LTOKCRDKLRPEDW-ZJUUUORDSA-N 1 0 189.274 1.751 20 0 ADADRO C[C@H]1CCC[C@@H]1[NH2+]CCOCCF 663340992 409777022 /nfs/dbraw/zinc/77/70/22/409777022.db2.gz LTOKCRDKLRPEDW-UWVGGRQHSA-N 1 0 189.274 1.751 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]CCOCCF)C1 663341093 409777115 /nfs/dbraw/zinc/77/71/15/409777115.db2.gz VYPKPIHKULCZDL-UWVGGRQHSA-N 1 0 189.274 1.751 20 0 ADADRO FCCOCC[NH2+]Cc1cccnc1 663341424 409777149 /nfs/dbraw/zinc/77/71/49/409777149.db2.gz JNFBZCLZAZGNAV-UHFFFAOYSA-N 1 0 198.241 1.157 20 0 ADADRO CCC(CC)C[NH2+]CCOCCF 663341303 409777166 /nfs/dbraw/zinc/77/71/66/409777166.db2.gz GWWXDHZRUWNENL-UHFFFAOYSA-N 1 0 191.290 1.998 20 0 ADADRO FCCOCC[NH2+]Cc1ccncc1 663339820 409777185 /nfs/dbraw/zinc/77/71/85/409777185.db2.gz CYDYWEXEMARVLL-UHFFFAOYSA-N 1 0 198.241 1.157 20 0 ADADRO C[C@H]([NH3+])C(=O)NCCCC(C)(C)C 313482570 409777238 /nfs/dbraw/zinc/77/72/38/409777238.db2.gz KMTDRRZYEWQEIX-QMMMGPOBSA-N 1 0 186.299 1.276 20 0 ADADRO FCCOCC[NH2+]C1CCCC1 663341111 409777256 /nfs/dbraw/zinc/77/72/56/409777256.db2.gz WNFKVMFYJMJSTO-UHFFFAOYSA-N 1 0 175.247 1.505 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]CCOCCF)C1 663341095 409777458 /nfs/dbraw/zinc/77/74/58/409777458.db2.gz VYPKPIHKULCZDL-ZJUUUORDSA-N 1 0 189.274 1.751 20 0 ADADRO FCCOCC[NH2+]Cc1cc[nH]c1 663340635 409777626 /nfs/dbraw/zinc/77/76/26/409777626.db2.gz HTXGYTOBKNIYRO-UHFFFAOYSA-N 1 0 186.230 1.090 20 0 ADADRO C[C@@H]1CCC[C@H]1[NH2+]CCOCCF 663340991 409777649 /nfs/dbraw/zinc/77/76/49/409777649.db2.gz LTOKCRDKLRPEDW-NXEZZACHSA-N 1 0 189.274 1.751 20 0 ADADRO CC(C)C[C@H](C)[NH2+]CCOCCF 663341059 409777661 /nfs/dbraw/zinc/77/76/61/409777661.db2.gz VFEQMAZAYOSVHS-JTQLQIEISA-N 1 0 191.290 1.997 20 0 ADADRO CC(C)(C)C[NH2+]CCOCCF 663341125 409777793 /nfs/dbraw/zinc/77/77/93/409777793.db2.gz WVNPYFBWSYVPSR-UHFFFAOYSA-N 1 0 177.263 1.608 20 0 ADADRO CC[C@H](C)C[NH2+]CCOCCF 663340919 409777863 /nfs/dbraw/zinc/77/78/63/409777863.db2.gz KUZVAMSRJWMCAO-VIFPVBQESA-N 1 0 177.263 1.608 20 0 ADADRO CC(C)(C)CCCNC(=O)C1([NH3+])CC1 313485343 409777992 /nfs/dbraw/zinc/77/79/92/409777992.db2.gz NSCAMJDPAYDJAF-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO CCC[C@H]([NH2+]CCN)C1CCCC1 313400229 409778009 /nfs/dbraw/zinc/77/80/09/409778009.db2.gz RZQDLCBCTVXVRT-NSHDSACASA-N 1 0 184.327 1.894 20 0 ADADRO CC[C@@H](O)C[NH+]1CC(C2CCCC2)C1 663284359 409778019 /nfs/dbraw/zinc/77/80/19/409778019.db2.gz CNZYNMITZIVIGL-GFCCVEGCSA-N 1 0 197.322 1.879 20 0 ADADRO CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 663284404 409778110 /nfs/dbraw/zinc/77/81/10/409778110.db2.gz GVJNGPLFKXMODA-MNOVXSKESA-N 1 0 197.322 1.878 20 0 ADADRO C[C@@H]([NH2+]CCOCCF)C1CC1 663340178 409778221 /nfs/dbraw/zinc/77/82/21/409778221.db2.gz KGICHCNMEZZSRK-MRVPVSSYSA-N 1 0 175.247 1.361 20 0 ADADRO C[C@@H]([NH3+])C(=O)NCCCC(C)(C)C 313482569 409778306 /nfs/dbraw/zinc/77/83/06/409778306.db2.gz KMTDRRZYEWQEIX-MRVPVSSYSA-N 1 0 186.299 1.276 20 0 ADADRO CCC[C@@H]([NH2+]CCN)C1CCCC1 313400226 409778576 /nfs/dbraw/zinc/77/85/76/409778576.db2.gz RZQDLCBCTVXVRT-LLVKDONJSA-N 1 0 184.327 1.894 20 0 ADADRO CCNC(=O)C(C)(C)[NH2+]CC=C(C)C 313074561 409778711 /nfs/dbraw/zinc/77/87/11/409778711.db2.gz MONYMGYTFPGAPB-UHFFFAOYSA-N 1 0 198.310 1.457 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]CCOCCF 663461930 409778905 /nfs/dbraw/zinc/77/89/05/409778905.db2.gz JIUULSSHWCAXHH-VIFPVBQESA-N 1 0 189.274 1.751 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+]CCOCCF 663461324 409778925 /nfs/dbraw/zinc/77/89/25/409778925.db2.gz YKOYXXYQMPDPSN-ZJUUUORDSA-N 1 0 189.274 1.751 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]CCOCCF 663459636 409778977 /nfs/dbraw/zinc/77/89/77/409778977.db2.gz FAGXXKIFRDCRDT-VIFPVBQESA-N 1 0 189.274 1.751 20 0 ADADRO OCCCC[NH+]1CCC2(CC1)CC2 663438344 409779048 /nfs/dbraw/zinc/77/90/48/409779048.db2.gz URJWEXMEMVYCNS-UHFFFAOYSA-N 1 0 183.295 1.635 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+]CCOCCF 663461319 409779193 /nfs/dbraw/zinc/77/91/93/409779193.db2.gz YKOYXXYQMPDPSN-NXEZZACHSA-N 1 0 189.274 1.751 20 0 ADADRO C[C@H]([NH2+]CCOCCF)C(C)(C)C 663463248 409779245 /nfs/dbraw/zinc/77/92/45/409779245.db2.gz YGRSODGDQZQDPI-VIFPVBQESA-N 1 0 191.290 1.997 20 0 ADADRO CC1(C)CC([NH2+]CCOCCF)C1 663459838 409779255 /nfs/dbraw/zinc/77/92/55/409779255.db2.gz GJUTUBUTIUDPBL-UHFFFAOYSA-N 1 0 189.274 1.751 20 0 ADADRO CC[C@H]1CC[C@H]1[NH2+]CCOCCF 663461322 409779315 /nfs/dbraw/zinc/77/93/15/409779315.db2.gz YKOYXXYQMPDPSN-VHSXEESVSA-N 1 0 189.274 1.751 20 0 ADADRO C[C@@H]([NH2+]CCOCCF)C1CCC1 663463366 409779333 /nfs/dbraw/zinc/77/93/33/409779333.db2.gz LMLJWIAUGPOQAF-SECBINFHSA-N 1 0 189.274 1.751 20 0 ADADRO CCC(CC)[NH2+]CCOCCF 663462986 409779357 /nfs/dbraw/zinc/77/93/57/409779357.db2.gz JSNZJDAFEWBNIY-UHFFFAOYSA-N 1 0 177.263 1.751 20 0 ADADRO FCCOCC[NH2+]C1CCCCC1 663341493 409779368 /nfs/dbraw/zinc/77/93/68/409779368.db2.gz ZAJXSDWHROJMPO-UHFFFAOYSA-N 1 0 189.274 1.895 20 0 ADADRO CC1CC([NH2+]CCOCCF)C1 663460339 409779411 /nfs/dbraw/zinc/77/94/11/409779411.db2.gz NCCJMFBWTBSDGT-UHFFFAOYSA-N 1 0 175.247 1.361 20 0 ADADRO CC[C@H]1CC[C@@H]1[NH2+]CCOCCF 663461321 409779469 /nfs/dbraw/zinc/77/94/69/409779469.db2.gz YKOYXXYQMPDPSN-UWVGGRQHSA-N 1 0 189.274 1.751 20 0 ADADRO CC[C@@H](O)C[NH2+]CCCc1ccco1 663368505 409779561 /nfs/dbraw/zinc/77/95/61/409779561.db2.gz HABFHLBZPJHTBH-SNVBAGLBSA-N 1 0 197.278 1.573 20 0 ADADRO CC1(C[NH2+]CCOCCF)CC1 663341816 409779636 /nfs/dbraw/zinc/77/96/36/409779636.db2.gz ROBPBDQPMGKFKK-UHFFFAOYSA-N 1 0 175.247 1.362 20 0 ADADRO Cc1ccc(C[N@@H+](C)[C@H](C)CO)nc1 663385561 409779668 /nfs/dbraw/zinc/77/96/68/409779668.db2.gz QIBIKZYGXHLQDC-SNVBAGLBSA-N 1 0 194.278 1.203 20 0 ADADRO CC(C)CCC[NH2+]CCOCCF 663342362 409779741 /nfs/dbraw/zinc/77/97/41/409779741.db2.gz ZNYSKJRCFSPUSL-UHFFFAOYSA-N 1 0 191.290 1.998 20 0 ADADRO CC(C)C[NH2+]CCOCCF 663341751 409779849 /nfs/dbraw/zinc/77/98/49/409779849.db2.gz KBMXEUMSUQYJIT-UHFFFAOYSA-N 1 0 163.236 1.218 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]CCOCCF 663459628 409779948 /nfs/dbraw/zinc/77/99/48/409779948.db2.gz FAGXXKIFRDCRDT-SECBINFHSA-N 1 0 189.274 1.751 20 0 ADADRO C[C@@H]([NH2+]CCOCCF)C(C)(C)C 663463247 409779962 /nfs/dbraw/zinc/77/99/62/409779962.db2.gz YGRSODGDQZQDPI-SECBINFHSA-N 1 0 191.290 1.997 20 0 ADADRO CC[C@H](O)C[NH2+]CCCc1ccco1 663368504 409780028 /nfs/dbraw/zinc/78/00/28/409780028.db2.gz HABFHLBZPJHTBH-JTQLQIEISA-N 1 0 197.278 1.573 20 0 ADADRO C[C@H](O)CC[NH+]1CCC2(CC1)CC2 663438333 409780048 /nfs/dbraw/zinc/78/00/48/409780048.db2.gz SVZPDVGKTXBXTB-JTQLQIEISA-N 1 0 183.295 1.633 20 0 ADADRO C[C@@H](O)CC[NH+]1CCC2(CC1)CC2 663438334 409780107 /nfs/dbraw/zinc/78/01/07/409780107.db2.gz SVZPDVGKTXBXTB-SNVBAGLBSA-N 1 0 183.295 1.633 20 0 ADADRO CC[C@H]([NH2+]CCOCCF)C1CC1 663462506 409780216 /nfs/dbraw/zinc/78/02/16/409780216.db2.gz OYXQRQSXQXRESC-JTQLQIEISA-N 1 0 189.274 1.751 20 0 ADADRO CC[C@@H]([NH2+]CCOCCF)C1CC1 663462507 409780353 /nfs/dbraw/zinc/78/03/53/409780353.db2.gz OYXQRQSXQXRESC-SNVBAGLBSA-N 1 0 189.274 1.751 20 0 ADADRO O[C@H](C[NH2+]CC1CC1)C1CCC1 315715083 409780543 /nfs/dbraw/zinc/78/05/43/409780543.db2.gz HZNSOYVKOZUBHN-SNVBAGLBSA-N 1 0 169.268 1.147 20 0 ADADRO FCCOCC[NH2+]Cc1ccco1 663341745 409780555 /nfs/dbraw/zinc/78/05/55/409780555.db2.gz JSQPOWNAKBFTJK-UHFFFAOYSA-N 1 0 187.214 1.355 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CCC2)C1 316187243 409780583 /nfs/dbraw/zinc/78/05/83/409780583.db2.gz NRERTRBTPQBCMA-JLLWLGSASA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@H](O)C1CCC1 315996129 409780718 /nfs/dbraw/zinc/78/07/18/409780718.db2.gz PYRNWGHDRDMACR-ONGXEEELSA-N 1 0 185.311 1.783 20 0 ADADRO CCC(CC)[NH2+]C[C@H](O)C1CCC1 315521860 409780805 /nfs/dbraw/zinc/78/08/05/409780805.db2.gz ALOUGBDYSCXFDA-NSHDSACASA-N 1 0 185.311 1.926 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 316174073 409781172 /nfs/dbraw/zinc/78/11/72/409781172.db2.gz MFNPVBWPTJNOHQ-MNOVXSKESA-N 1 0 197.322 1.926 20 0 ADADRO CCC(CC)[NH2+]C[C@@H](O)C1CCC1 315521857 409781337 /nfs/dbraw/zinc/78/13/37/409781337.db2.gz ALOUGBDYSCXFDA-LLVKDONJSA-N 1 0 185.311 1.926 20 0 ADADRO CC[NH+](CC)CCCc1cncn1C 314139777 409781429 /nfs/dbraw/zinc/78/14/29/409781429.db2.gz LHXACYRFPFRKPT-UHFFFAOYSA-N 1 0 195.310 1.695 20 0 ADADRO CC(C)(C)C[NH2+]C[C@@H](O)C1CCC1 315605220 409781460 /nfs/dbraw/zinc/78/14/60/409781460.db2.gz BQLJVFJYVHKEOQ-SNVBAGLBSA-N 1 0 185.311 1.783 20 0 ADADRO CO[C@@H](C[NH2+]C(C)(C)C)C1CC1 315862913 409781528 /nfs/dbraw/zinc/78/15/28/409781528.db2.gz JIKLSVCEEYZHMH-VIFPVBQESA-N 1 0 171.284 1.800 20 0 ADADRO CC(C)[C@@H](C)[NH2+]C[C@H](O)C1CCC1 315837127 409781559 /nfs/dbraw/zinc/78/15/59/409781559.db2.gz DOURPQWZGWTMMH-KOLCDFICSA-N 1 0 185.311 1.782 20 0 ADADRO CO[C@H](C[NH2+]C(C)(C)C)C1CC1 315862911 409781576 /nfs/dbraw/zinc/78/15/76/409781576.db2.gz JIKLSVCEEYZHMH-SECBINFHSA-N 1 0 171.284 1.800 20 0 ADADRO CC[C@H]([NH2+]C[C@@H](O)C1CCC1)C1CC1 316223122 409781618 /nfs/dbraw/zinc/78/16/18/409781618.db2.gz RUQQPHMROWXHOH-NWDGAFQWSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H]([NH2+]CCOCCF)C(C)C 663464857 409781686 /nfs/dbraw/zinc/78/16/86/409781686.db2.gz SLQFYDNWCIXKRJ-SNVBAGLBSA-N 1 0 191.290 1.997 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CCOCCF 663463718 409781734 /nfs/dbraw/zinc/78/17/34/409781734.db2.gz NIVNFYADTNVMER-SECBINFHSA-N 1 0 177.263 1.607 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 316174072 409781737 /nfs/dbraw/zinc/78/17/37/409781737.db2.gz MFNPVBWPTJNOHQ-GHMZBOCLSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H](C)[C@H](C)[NH2+]CCOCCF 663463929 409781750 /nfs/dbraw/zinc/78/17/50/409781750.db2.gz ORZDOTWXBJJUOH-ZJUUUORDSA-N 1 0 191.290 1.997 20 0 ADADRO CC[C@@H]([NH2+]C[C@H](O)C1CCC1)C1CC1 316223120 409781759 /nfs/dbraw/zinc/78/17/59/409781759.db2.gz RUQQPHMROWXHOH-NEPJUHHUSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H]([NH2+]CCOCCF)C(C)C 663464855 409781795 /nfs/dbraw/zinc/78/17/95/409781795.db2.gz SLQFYDNWCIXKRJ-JTQLQIEISA-N 1 0 191.290 1.997 20 0 ADADRO CC[C@H](C)C[NH2+]C[C@@H](O)C1CCC1 315996124 409781812 /nfs/dbraw/zinc/78/18/12/409781812.db2.gz PYRNWGHDRDMACR-GXSJLCMTSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]C[C@@H](O)C1CCC1 316086798 409781844 /nfs/dbraw/zinc/78/18/44/409781844.db2.gz BOEIOKNTYAUALT-JOYOIKCWSA-N 1 0 197.322 1.926 20 0 ADADRO O[C@@H](C[NH2+]Cc1ccco1)C1CCC1 316015151 409781976 /nfs/dbraw/zinc/78/19/76/409781976.db2.gz SJMUYCSEDLEYKK-NSHDSACASA-N 1 0 195.262 1.530 20 0 ADADRO FCCOCC[NH2+][C@H]1CCSC1 663463940 409782016 /nfs/dbraw/zinc/78/20/16/409782016.db2.gz OSXGVNLXQZPBRU-QMMMGPOBSA-N 1 0 193.287 1.068 20 0 ADADRO C[C@@H](CC1CC1)[NH2+]C[C@H](O)C1CCC1 316086795 409782041 /nfs/dbraw/zinc/78/20/41/409782041.db2.gz BOEIOKNTYAUALT-CABZTGNLSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@@H](C)[C@@H](C)[NH2+]CCOCCF 663463925 409782099 /nfs/dbraw/zinc/78/20/99/409782099.db2.gz ORZDOTWXBJJUOH-NXEZZACHSA-N 1 0 191.290 1.997 20 0 ADADRO Cc1ccc(C[NH2+]C[C@H](C)O)nc1C 314034758 409782875 /nfs/dbraw/zinc/78/28/75/409782875.db2.gz LYRJXKYIKUHCTG-VIFPVBQESA-N 1 0 194.278 1.169 20 0 ADADRO CC[C@H](C)[C@H](C)[NH2+]CCOCCF 663463927 409782133 /nfs/dbraw/zinc/78/21/33/409782133.db2.gz ORZDOTWXBJJUOH-UWVGGRQHSA-N 1 0 191.290 1.997 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)C1 316187247 409782185 /nfs/dbraw/zinc/78/21/85/409782185.db2.gz NRERTRBTPQBCMA-USWWRNFRSA-N 1 0 197.322 1.926 20 0 ADADRO CC(C)[C@H](C)[NH2+]C[C@@H](O)C1CCC1 315837117 409782192 /nfs/dbraw/zinc/78/21/92/409782192.db2.gz DOURPQWZGWTMMH-GXSJLCMTSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CCC2)C1 316187250 409782203 /nfs/dbraw/zinc/78/22/03/409782203.db2.gz NRERTRBTPQBCMA-YUSALJHKSA-N 1 0 197.322 1.926 20 0 ADADRO CC[C@H](C)[NH2+]CCOCCF 663465338 409782227 /nfs/dbraw/zinc/78/22/27/409782227.db2.gz WUBNZGKVGLYPFL-QMMMGPOBSA-N 1 0 163.236 1.361 20 0 ADADRO Cn1cncc1CCC[NH+]1CCCC1 314181694 409782287 /nfs/dbraw/zinc/78/22/87/409782287.db2.gz QDQGGEVQWZSVEI-UHFFFAOYSA-N 1 0 193.294 1.449 20 0 ADADRO CCC[C@H](C)[NH2+]CCOCCF 663465448 409782289 /nfs/dbraw/zinc/78/22/89/409782289.db2.gz XCIRPUFJUGDOMQ-VIFPVBQESA-N 1 0 177.263 1.751 20 0 ADADRO CC(C)[C@H](C)[NH2+]CCOCCF 663463719 409782323 /nfs/dbraw/zinc/78/23/23/409782323.db2.gz NIVNFYADTNVMER-VIFPVBQESA-N 1 0 177.263 1.607 20 0 ADADRO O[C@@H](C[NH2+]Cc1cc[nH]c1)C1CCC1 316022664 409782362 /nfs/dbraw/zinc/78/23/62/409782362.db2.gz TYGPPVPVSTUKAG-NSHDSACASA-N 1 0 194.278 1.265 20 0 ADADRO CC[C@@H]([NH2+]C[C@@H](O)C1CCC1)C1CC1 316223126 409782478 /nfs/dbraw/zinc/78/24/78/409782478.db2.gz RUQQPHMROWXHOH-VXGBXAGGSA-N 1 0 197.322 1.926 20 0 ADADRO Cc1ccc(C[NH2+]C[C@@H](C)O)nc1C 314034757 409782608 /nfs/dbraw/zinc/78/26/08/409782608.db2.gz LYRJXKYIKUHCTG-SECBINFHSA-N 1 0 194.278 1.169 20 0 ADADRO C[C@H](CC1CC1)[NH2+]C[C@@H](O)C1CCC1 316086792 409782643 /nfs/dbraw/zinc/78/26/43/409782643.db2.gz BOEIOKNTYAUALT-BXKDBHETSA-N 1 0 197.322 1.926 20 0 ADADRO O[C@H](C[NH2+]Cc1ccco1)C1CCC1 316015150 409782731 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409824114 /nfs/dbraw/zinc/82/41/14/409824114.db2.gz NSTYIHZFPFORNR-SFYZADRCSA-N 1 0 193.237 1.799 20 0 ADADRO C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[C@H]1C 379312365 409824250 /nfs/dbraw/zinc/82/42/50/409824250.db2.gz ZDKMTIZIIHKNSC-AXTSPUMRSA-N 1 0 171.284 1.249 20 0 ADADRO Cc1cc(NCCOCCF)cc[nH+]1 664674641 409831725 /nfs/dbraw/zinc/83/17/25/409831725.db2.gz LODHHXFWAUYMLD-UHFFFAOYSA-N 1 0 198.241 1.210 20 0 ADADRO C[C@@H](CCNc1ncccn1)[NH+](C)C 664244477 409825187 /nfs/dbraw/zinc/82/51/87/409825187.db2.gz JEWBUHUVXXAZOL-VIFPVBQESA-N 1 0 194.282 1.229 20 0 ADADRO C[C@H](CCNc1cnccn1)[NH+](C)C 664242846 409825539 /nfs/dbraw/zinc/82/55/39/409825539.db2.gz AQDAEAUZLKCCMU-SECBINFHSA-N 1 0 194.282 1.229 20 0 ADADRO Cc1nnc(NCC[C@H](C)[NH+](C)C)o1 664244979 409825602 /nfs/dbraw/zinc/82/56/02/409825602.db2.gz LZDYQLUFENHYOC-ZETCQYMHSA-N 1 0 198.270 1.130 20 0 ADADRO C[C@@H](CCNc1ccccn1)[NH+](C)C 664247914 409825690 /nfs/dbraw/zinc/82/56/90/409825690.db2.gz UVXPZXOFEVPOLN-JTQLQIEISA-N 1 0 193.294 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171.284 1.536 20 0 ADADRO CO[C@@](C)(C[NH2+]CC1CC1)C1CC1 379342147 409829011 /nfs/dbraw/zinc/82/90/11/409829011.db2.gz CDANEGCFGKGMNA-NSHDSACASA-N 1 0 183.295 1.801 20 0 ADADRO Cc1sccc1C[NH2+]CC(C)(C)O 379342556 409829156 /nfs/dbraw/zinc/82/91/56/409829156.db2.gz FQBMEBUZPPHGRX-UHFFFAOYSA-N 1 0 199.319 1.917 20 0 ADADRO FCCC[NH2+]CCC1CCOCC1 379348255 409829276 /nfs/dbraw/zinc/82/92/76/409829276.db2.gz JWFXBURBUCBPPE-UHFFFAOYSA-N 1 0 189.274 1.752 20 0 ADADRO CC[C@@H](C)C[N@H+](CC)[C@H](C)CO 379333401 409829367 /nfs/dbraw/zinc/82/93/67/409829367.db2.gz KGXZJGIGSWDAKM-NXEZZACHSA-N 1 0 173.300 1.735 20 0 ADADRO CO[C@@](C)(C[NH2+]CCCF)C1CC1 379347367 409829385 /nfs/dbraw/zinc/82/93/85/409829385.db2.gz ZXVIBZWVKFXQPK-JTQLQIEISA-N 1 0 189.274 1.751 20 0 ADADRO COCC(C)(C)C[NH2+][C@@H](C)CF 379334274 409829403 /nfs/dbraw/zinc/82/94/03/409829403.db2.gz LVFBFEVAXADDGD-QMMMGPOBSA-N 1 0 177.263 1.607 20 0 ADADRO CC[C@H](C)C[N@H+](CC)[C@H](C)CO 379333402 409829484 /nfs/dbraw/zinc/82/94/84/409829484.db2.gz KGXZJGIGSWDAKM-VHSXEESVSA-N 1 0 173.300 1.735 20 0 ADADRO CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 379341964 409829512 /nfs/dbraw/zinc/82/95/12/409829512.db2.gz AXJHZWCYNNFLTE-HBNTYKKESA-N 1 0 183.295 1.801 20 0 ADADRO CO[C@](C)(C[NH2+]CCCF)C1CC1 379347368 409829522 /nfs/dbraw/zinc/82/95/22/409829522.db2.gz ZXVIBZWVKFXQPK-SNVBAGLBSA-N 1 0 189.274 1.751 20 0 ADADRO C[N@H+](CC1CC1)C1(CO)CCC1 379334696 409829609 /nfs/dbraw/zinc/82/96/09/409829609.db2.gz PSCNEBAMJOKHNI-UHFFFAOYSA-N 1 0 169.268 1.243 20 0 ADADRO CCOCC(C)(C)C[NH2+]C[C@@H](C)O 379346282 409829627 /nfs/dbraw/zinc/82/96/27/409829627.db2.gz WBCQQNYHUKLQAF-SECBINFHSA-N 1 0 189.299 1.020 20 0 ADADRO CC[C@@H](C)n1cc([C@@H](C)[NH2+]C)nn1 379345533 409829660 /nfs/dbraw/zinc/82/96/60/409829660.db2.gz COCQYZBBPSVNAI-HTQZYQBOSA-N 1 0 182.271 1.530 20 0 ADADRO CO[C@](C)(C[NH2+]CC1CC1)C1CC1 379342146 409829676 /nfs/dbraw/zinc/82/96/76/409829676.db2.gz CDANEGCFGKGMNA-LLVKDONJSA-N 1 0 183.295 1.801 20 0 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/nfs/dbraw/zinc/87/23/74/409872374.db2.gz GKVANLLQBLGAAI-NXEZZACHSA-N 1 0 193.294 1.340 20 0 ADADRO C[C@H]1CCCC[C@H]1CC(=O)NCC[NH3+] 380073261 409872379 /nfs/dbraw/zinc/87/23/79/409872379.db2.gz DQICIFJDDQOEGF-UWVGGRQHSA-N 1 0 198.310 1.278 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CNC 665297368 409872390 /nfs/dbraw/zinc/87/23/90/409872390.db2.gz DVBPSDSKNAOIMI-BBBLOLIVSA-N 1 0 170.300 1.373 20 0 ADADRO C[C@H]1CCCC[C@@H]1CC(=O)NCC[NH3+] 380073263 409872398 /nfs/dbraw/zinc/87/23/98/409872398.db2.gz DQICIFJDDQOEGF-VHSXEESVSA-N 1 0 198.310 1.278 20 0 ADADRO CNC[C@H](C)[NH2+]C1CCC2(CC1)CC2 665297523 409872443 /nfs/dbraw/zinc/87/24/43/409872443.db2.gz HRDRCLTZSGZDPH-JTQLQIEISA-N 1 0 196.338 1.907 20 0 ADADRO CCC1(C(=O)NCC(C)(C)[NH3+])CCC1 380067059 409872483 /nfs/dbraw/zinc/87/24/83/409872483.db2.gz CEDIBJBMPJLYSE-UHFFFAOYSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H]([NH2+][C@@H](C)CNC)C1CC1 665296676 409872520 /nfs/dbraw/zinc/87/25/20/409872520.db2.gz WETDWEVLTUMSMT-WPRPVWTQSA-N 1 0 170.300 1.373 20 0 ADADRO C[C@@H]1CCCC[C@H]1CC(=O)NCC[NH3+] 380073265 409872531 /nfs/dbraw/zinc/87/25/31/409872531.db2.gz DQICIFJDDQOEGF-ZJUUUORDSA-N 1 0 198.310 1.278 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccccn1 665296041 409872552 /nfs/dbraw/zinc/87/25/52/409872552.db2.gz MDKMVBALCQZHFO-UWVGGRQHSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cccnc1 665295600 409872579 /nfs/dbraw/zinc/87/25/79/409872579.db2.gz GKVANLLQBLGAAI-ZJUUUORDSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cscn1 665296519 409872680 /nfs/dbraw/zinc/87/26/80/409872680.db2.gz UCYDNWHAYSDLCN-SFYZADRCSA-N 1 0 199.323 1.402 20 0 ADADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CNC 665297370 409872736 /nfs/dbraw/zinc/87/27/36/409872736.db2.gz DVBPSDSKNAOIMI-OPRDCNLKSA-N 1 0 170.300 1.373 20 0 ADADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CNC 665295883 409872752 /nfs/dbraw/zinc/87/27/52/409872752.db2.gz KXPAGMJZSNOJAS-GMTAPVOTSA-N 1 0 184.327 1.763 20 0 ADADRO CC[C@@H]([NH2+][C@@H](C)CNC)C1CC1 665296675 409872788 /nfs/dbraw/zinc/87/27/88/409872788.db2.gz WETDWEVLTUMSMT-WCBMZHEXSA-N 1 0 170.300 1.373 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccncc1 665295257 409872807 /nfs/dbraw/zinc/87/28/07/409872807.db2.gz AYLGTMYXBCOCSB-NXEZZACHSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@@H](C)c1nccs1 665296168 409872843 /nfs/dbraw/zinc/87/28/43/409872843.db2.gz NQYXRWXQSXGJIY-SFYZADRCSA-N 1 0 199.323 1.402 20 0 ADADRO CNC[C@@H](C)[NH2+]C1CCC2(CC1)CC2 665297524 409872881 /nfs/dbraw/zinc/87/28/81/409872881.db2.gz HRDRCLTZSGZDPH-SNVBAGLBSA-N 1 0 196.338 1.907 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccncc1 665295258 409872917 /nfs/dbraw/zinc/87/29/17/409872917.db2.gz AYLGTMYXBCOCSB-UWVGGRQHSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1nccs1 665296169 409873027 /nfs/dbraw/zinc/87/30/27/409873027.db2.gz NQYXRWXQSXGJIY-YUMQZZPRSA-N 1 0 199.323 1.402 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@H](C)c1nccs1 665296166 409873079 /nfs/dbraw/zinc/87/30/79/409873079.db2.gz NQYXRWXQSXGJIY-HTQZYQBOSA-N 1 0 199.323 1.402 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1cscn1 665296520 409873120 /nfs/dbraw/zinc/87/31/20/409873120.db2.gz UCYDNWHAYSDLCN-YUMQZZPRSA-N 1 0 199.323 1.402 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccoc1 665296643 409873132 /nfs/dbraw/zinc/87/31/32/409873132.db2.gz VWQJTVAKPVJZCD-IUCAKERBSA-N 1 0 182.267 1.538 20 0 ADADRO C[C@@H](CC(C)(C)O)[NH2+]CC1CC1 384839623 409915809 /nfs/dbraw/zinc/91/58/09/409915809.db2.gz IQXUKQFYRILDPJ-QMMMGPOBSA-N 1 0 171.284 1.536 20 0 ADADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CNC 665295884 409873261 /nfs/dbraw/zinc/87/32/61/409873261.db2.gz KXPAGMJZSNOJAS-HBNTYKKESA-N 1 0 184.327 1.763 20 0 ADADRO CC[C@@H]([NH2+][C@H](C)CNC)C1CC1 665296673 409873285 /nfs/dbraw/zinc/87/32/85/409873285.db2.gz WETDWEVLTUMSMT-PSASIEDQSA-N 1 0 170.300 1.373 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccoc1 665296641 409873302 /nfs/dbraw/zinc/87/33/02/409873302.db2.gz VWQJTVAKPVJZCD-BDAKNGLRSA-N 1 0 182.267 1.538 20 0 ADADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CNC 665297367 409873464 /nfs/dbraw/zinc/87/34/64/409873464.db2.gz DVBPSDSKNAOIMI-AEJSXWLSSA-N 1 0 170.300 1.373 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1ccoc1 665296642 409873479 /nfs/dbraw/zinc/87/34/79/409873479.db2.gz VWQJTVAKPVJZCD-DTWKUNHWSA-N 1 0 182.267 1.538 20 0 ADADRO CCCC1(C(=O)NC[C@@H](C)[NH3+])CCC1 380244960 409873580 /nfs/dbraw/zinc/87/35/80/409873580.db2.gz NYZHSBLPNYPXFO-SECBINFHSA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CNC 665295882 409873594 /nfs/dbraw/zinc/87/35/94/409873594.db2.gz KXPAGMJZSNOJAS-AXFHLTTASA-N 1 0 184.327 1.763 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1nccs1 665296167 409873610 /nfs/dbraw/zinc/87/36/10/409873610.db2.gz NQYXRWXQSXGJIY-JGVFFNPUSA-N 1 0 199.323 1.402 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@H](C)c1cncs1 665295854 409873660 /nfs/dbraw/zinc/87/36/60/409873660.db2.gz KRRAFECKCIOQDA-HTQZYQBOSA-N 1 0 199.323 1.402 20 0 ADADRO CNC[C@H](C)[NH2+][C@H](C(C)C)C1CC1 665295642 409873669 /nfs/dbraw/zinc/87/36/69/409873669.db2.gz GWCHWLFPTGBAOF-GXSJLCMTSA-N 1 0 184.327 1.619 20 0 ADADRO CC[C@H]([NH2+][C@H](C)CNC)C1CC1 665296674 409873722 /nfs/dbraw/zinc/87/37/22/409873722.db2.gz WETDWEVLTUMSMT-SCZZXKLOSA-N 1 0 170.300 1.373 20 0 ADADRO CNC[C@H](C)[NH2+][C@@H](C(C)C)C1CC1 665295645 409873741 /nfs/dbraw/zinc/87/37/41/409873741.db2.gz GWCHWLFPTGBAOF-ONGXEEELSA-N 1 0 184.327 1.619 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1ccncc1 665295259 409873757 /nfs/dbraw/zinc/87/37/57/409873757.db2.gz AYLGTMYXBCOCSB-VHSXEESVSA-N 1 0 193.294 1.340 20 0 ADADRO CNC[C@@H](C)[NH2+][C@@H](C)C(C)(C)C 665295996 409873776 /nfs/dbraw/zinc/87/37/76/409873776.db2.gz LMMKABFMDJGIOO-BDAKNGLRSA-N 1 0 172.316 1.619 20 0 ADADRO CC[C@@H](C)c1nc(C[C@H](C)[NH2+]C)no1 380179102 409873781 /nfs/dbraw/zinc/87/37/81/409873781.db2.gz LAYGFQFNTVJLQS-SFYZADRCSA-N 1 0 197.282 1.734 20 0 ADADRO CCC(CC)CC(=O)N[C@@H]1CC[NH2+]C1 380171862 409873811 /nfs/dbraw/zinc/87/38/11/409873811.db2.gz HVIFNHXHYALAFM-SNVBAGLBSA-N 1 0 198.310 1.291 20 0 ADADRO CCC(CC)CC(=O)N[C@H]1CC[NH2+]C1 380171861 409873823 /nfs/dbraw/zinc/87/38/23/409873823.db2.gz HVIFNHXHYALAFM-JTQLQIEISA-N 1 0 198.310 1.291 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccccn1 665296043 409873859 /nfs/dbraw/zinc/87/38/59/409873859.db2.gz MDKMVBALCQZHFO-ZJUUUORDSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1cccnc1 665295599 409873910 /nfs/dbraw/zinc/87/39/10/409873910.db2.gz GKVANLLQBLGAAI-VHSXEESVSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccncc1 665295260 409873923 /nfs/dbraw/zinc/87/39/23/409873923.db2.gz AYLGTMYXBCOCSB-ZJUUUORDSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+][C@H](C)Cc1noc([C@H]2C[C@@H]2C)n1 380191207 409874012 /nfs/dbraw/zinc/87/40/12/409874012.db2.gz OVDRPXGGHJEBMH-RNJXMRFFSA-N 1 0 195.266 1.343 20 0 ADADRO CC(C)[NH2+]CCCNC(=O)C1(C)CC1 380299483 409874023 /nfs/dbraw/zinc/87/40/23/409874023.db2.gz DIXMJSRFJLRNNP-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1cscn1 665296518 409874065 /nfs/dbraw/zinc/87/40/65/409874065.db2.gz UCYDNWHAYSDLCN-JGVFFNPUSA-N 1 0 199.323 1.402 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1cncs1 665295857 409874133 /nfs/dbraw/zinc/87/41/33/409874133.db2.gz KRRAFECKCIOQDA-YUMQZZPRSA-N 1 0 199.323 1.402 20 0 ADADRO C[NH2+]C[C@H](C)C(=O)N(C(C)C)C1CC1 380199775 409874214 /nfs/dbraw/zinc/87/42/14/409874214.db2.gz SLPMBSKPDAJWAA-VIFPVBQESA-N 1 0 198.310 1.241 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1ccccn1 665296042 409874462 /nfs/dbraw/zinc/87/44/62/409874462.db2.gz MDKMVBALCQZHFO-VHSXEESVSA-N 1 0 193.294 1.340 20 0 ADADRO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@@H]2C)n1 380191208 409874652 /nfs/dbraw/zinc/87/46/52/409874652.db2.gz OVDRPXGGHJEBMH-XLPZGREQSA-N 1 0 195.266 1.343 20 0 ADADRO CC[NH2+]CCCNC(=O)C1(C)CCC1 380199912 409874678 /nfs/dbraw/zinc/87/46/78/409874678.db2.gz SNNQFWWJVQLFHJ-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CCC[C@@H]1CCCN(C(=O)CC[NH3+])C1 380275535 409874688 /nfs/dbraw/zinc/87/46/88/409874688.db2.gz XPLJUIIDOSVFSJ-SNVBAGLBSA-N 1 0 198.310 1.374 20 0 ADADRO CC[C@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 380179100 409874761 /nfs/dbraw/zinc/87/47/61/409874761.db2.gz LAYGFQFNTVJLQS-JGVFFNPUSA-N 1 0 197.282 1.734 20 0 ADADRO CNC[C@H](C)[NH2+][C@H]1CCC1(C)C 665298167 409874954 /nfs/dbraw/zinc/87/49/54/409874954.db2.gz SWKJJXTUDULYIJ-IUCAKERBSA-N 1 0 170.300 1.373 20 0 ADADRO CCCC1(C(=O)NC[C@H](C)[NH3+])CCC1 380244961 409874997 /nfs/dbraw/zinc/87/49/97/409874997.db2.gz NYZHSBLPNYPXFO-VIFPVBQESA-N 1 0 198.310 1.420 20 0 ADADRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(C)on1 665298569 409875050 /nfs/dbraw/zinc/87/50/50/409875050.db2.gz YKOFEQPJJGBDDZ-CBAPKCEASA-N 1 0 197.282 1.242 20 0 ADADRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(C)on1 665298570 409875098 /nfs/dbraw/zinc/87/50/98/409875098.db2.gz YKOFEQPJJGBDDZ-IONNQARKSA-N 1 0 197.282 1.242 20 0 ADADRO CC(C)N(C(=O)[C@@H](C)C[NH3+])C1CCC1 380245932 409875107 /nfs/dbraw/zinc/87/51/07/409875107.db2.gz OETRNOAGUPMOTF-VIFPVBQESA-N 1 0 198.310 1.371 20 0 ADADRO 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/nfs/dbraw/zinc/87/56/09/409875609.db2.gz ZVAVUFJQKGHNFM-KOLCDFICSA-N 1 0 184.327 1.763 20 0 ADADRO C[NH2+][C@H](C)Cc1noc([C@H]2C[C@H]2C)n1 380191205 409875613 /nfs/dbraw/zinc/87/56/13/409875613.db2.gz OVDRPXGGHJEBMH-PRJMDXOYSA-N 1 0 195.266 1.343 20 0 ADADRO CCC[C@H]1CCCN(C(=O)CC[NH3+])C1 380275533 409875623 /nfs/dbraw/zinc/87/56/23/409875623.db2.gz XPLJUIIDOSVFSJ-JTQLQIEISA-N 1 0 198.310 1.374 20 0 ADADRO C[C@@](CN)([NH2+]CC1CCCC1)C1CC1 380268049 409875632 /nfs/dbraw/zinc/87/56/32/409875632.db2.gz UYZCNMARJMUIMK-LBPRGKRZSA-N 1 0 196.338 1.894 20 0 ADADRO C[NH2+]C[C@@H](C)C(=O)N(C(C)C)C1CC1 380199773 409875653 /nfs/dbraw/zinc/87/56/53/409875653.db2.gz SLPMBSKPDAJWAA-SECBINFHSA-N 1 0 198.310 1.241 20 0 ADADRO [NH3+]CC(=O)NCCCCC1CCCC1 380282587 409875672 /nfs/dbraw/zinc/87/56/72/409875672.db2.gz ZGGSTUBFOYTOJL-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO CCCN(C)C(=O)c1coc(C[NH3+])c1 380215233 409875994 /nfs/dbraw/zinc/87/59/94/409875994.db2.gz IATLDXJUOMNUOK-UHFFFAOYSA-N 1 0 196.250 1.220 20 0 ADADRO CC(C)N(C(=O)[C@H](C)C[NH3+])C1CCC1 380245925 409875768 /nfs/dbraw/zinc/87/57/68/409875768.db2.gz OETRNOAGUPMOTF-SECBINFHSA-N 1 0 198.310 1.371 20 0 ADADRO CC[C@@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 380179097 409875865 /nfs/dbraw/zinc/87/58/65/409875865.db2.gz LAYGFQFNTVJLQS-HTQZYQBOSA-N 1 0 197.282 1.734 20 0 ADADRO CCC(CC)NC(=O)[C@@H]1[NH2+]CC1(C)C 380202289 409875894 /nfs/dbraw/zinc/87/58/94/409875894.db2.gz UNSKLEXUTYGONM-VIFPVBQESA-N 1 0 198.310 1.289 20 0 ADADRO CC[C@H]([NH2+][C@H](C)CNC)[C@@H]1C[C@H]1C 665300047 409875908 /nfs/dbraw/zinc/87/59/08/409875908.db2.gz XKULBCBQXZGKQJ-DBIOUOCHSA-N 1 0 184.327 1.619 20 0 ADADRO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]2C)n1 380191204 409875982 /nfs/dbraw/zinc/87/59/82/409875982.db2.gz OVDRPXGGHJEBMH-BWZBUEFSSA-N 1 0 195.266 1.343 20 0 ADADRO CC[NH2+]CCCNC(=O)C1CC(C)C1 380169322 409875989 /nfs/dbraw/zinc/87/59/89/409875989.db2.gz GHEYKYPJJBMCFK-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO CC[C@H]([NH2+][C@H](C)CNC)[C@H]1C[C@H]1C 665300050 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409877819 /nfs/dbraw/zinc/87/78/19/409877819.db2.gz IURAICCSHBEGKH-DTWKUNHWSA-N 1 0 198.310 1.099 20 0 ADADRO C[C@@H](CC[NH3+])NC(=O)CCC1CCC1 380340493 409877828 /nfs/dbraw/zinc/87/78/28/409877828.db2.gz RNFDMPUUVIYZIT-VIFPVBQESA-N 1 0 198.310 1.420 20 0 ADADRO CC[C@H](C)[C@@H](C[NH2+]C[C@@H](C)O)OC 381380788 409877898 /nfs/dbraw/zinc/87/78/98/409877898.db2.gz LJWZPVXTSKEEGX-IVZWLZJFSA-N 1 0 189.299 1.018 20 0 ADADRO CC[C@@H](C)[C@@H](C[NH2+]CCOC)OC 381310057 409877971 /nfs/dbraw/zinc/87/79/71/409877971.db2.gz TUNYVTQEESIJBB-NXEZZACHSA-N 1 0 189.299 1.284 20 0 ADADRO CC[C@H](C)[C@H](C[NH2+][C@H](C)CO)OC 381375959 409877991 /nfs/dbraw/zinc/87/79/91/409877991.db2.gz KGANVEMWSYTAKG-AEJSXWLSSA-N 1 0 189.299 1.018 20 0 ADADRO C[C@@H](CNC(=O)CC1(C)CC1)[NH+](C)C 665551206 409877995 /nfs/dbraw/zinc/87/79/95/409877995.db2.gz UPZNHYYRPFCQOP-VIFPVBQESA-N 1 0 198.310 1.243 20 0 ADADRO CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1C 380541983 409878030 /nfs/dbraw/zinc/87/80/30/409878030.db2.gz 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KGANVEMWSYTAKG-GUBZILKMSA-N 1 0 189.299 1.018 20 0 ADADRO CC[C@H](C)[C@@H](C[NH2+]C[C@H](C)O)OC 381380791 409879732 /nfs/dbraw/zinc/87/97/32/409879732.db2.gz LJWZPVXTSKEEGX-LPEHRKFASA-N 1 0 189.299 1.018 20 0 ADADRO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](C)[C@H]1C 380616179 409880010 /nfs/dbraw/zinc/88/00/10/409880010.db2.gz MAXQTGFZFQPOIA-KXUCPTDWSA-N 1 0 198.310 1.099 20 0 ADADRO COC(=O)CC[N@@H+]1CCC2(CCC2)C1 380384349 409879955 /nfs/dbraw/zinc/87/99/55/409879955.db2.gz PKWZUDBLVHQXNV-UHFFFAOYSA-N 1 0 197.278 1.426 20 0 ADADRO C[NH2+]CCCC(=O)N1CC[C@H](C)[C@H]1C 380630965 409879967 /nfs/dbraw/zinc/87/99/67/409879967.db2.gz PPZWBHOEAXPKMT-VHSXEESVSA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@@H](C(=O)N[C@H]1CC1(C)C)[NH+](C)C 665643076 409880707 /nfs/dbraw/zinc/88/07/07/409880707.db2.gz KUGPOOSNTDAZHP-IUCAKERBSA-N 1 0 198.310 1.241 20 0 ADADRO CC[C@H](C(=O)N[C@H]1CC1(C)C)[NH+](C)C 665643075 409881262 /nfs/dbraw/zinc/88/12/62/409881262.db2.gz KUGPOOSNTDAZHP-BDAKNGLRSA-N 1 0 198.310 1.241 20 0 ADADRO 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LURMNRPAASZTMW-ZJUUUORDSA-N 1 0 189.299 1.020 20 0 ADADRO CCCCC(=O)N[C@H]1CC[N@H+](CC)C1 665669100 409882822 /nfs/dbraw/zinc/88/28/22/409882822.db2.gz CSFNNPYRGUKWHR-JTQLQIEISA-N 1 0 198.310 1.387 20 0 ADADRO CC[N@@H+]1CC[C@H](NC(=O)CC(C)C)C1 665669192 409882938 /nfs/dbraw/zinc/88/29/38/409882938.db2.gz TXYSERMCLBFYIG-JTQLQIEISA-N 1 0 198.310 1.243 20 0 ADADRO CC[N@@H+]1CC[C@@H](NC(=O)CC(C)C)C1 665669193 409883137 /nfs/dbraw/zinc/88/31/37/409883137.db2.gz TXYSERMCLBFYIG-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CCCCC(=O)N[C@@H]1CC[N@H+](CC)C1 665669101 409883330 /nfs/dbraw/zinc/88/33/30/409883330.db2.gz CSFNNPYRGUKWHR-SNVBAGLBSA-N 1 0 198.310 1.387 20 0 ADADRO Cc1cc([C@@H](C)NCC[NH3+])cs1 381849100 409883768 /nfs/dbraw/zinc/88/37/68/409883768.db2.gz ZENMZIUTXQPTHG-MRVPVSSYSA-N 1 0 184.308 1.666 20 0 ADADRO C[C@H](O)C[NH2+]C[C@H]1CCCC1(F)F 381961019 409884103 /nfs/dbraw/zinc/88/41/03/409884103.db2.gz UNIKLQICSSGACL-JGVFFNPUSA-N 1 0 193.237 1.392 20 0 ADADRO 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ZTSTZKUVLUHDHF-MGCOHNPYSA-N 1 0 198.310 1.289 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]C[C@@H](C)N(C)C 924954276 630074287 /nfs/dbraw/zinc/07/42/87/630074287.db2.gz DQASQNZBNPHBMN-KXNHARMFSA-N 1 0 198.354 1.961 20 0 ADADRO CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)C)C1 983195561 630074298 /nfs/dbraw/zinc/07/42/98/630074298.db2.gz TUMVHKWSSAFJJI-MGCOHNPYSA-N 1 0 198.310 1.147 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]C[C@H](C)N(C)C 924954281 630074324 /nfs/dbraw/zinc/07/43/24/630074324.db2.gz DQASQNZBNPHBMN-WHOHXGKFSA-N 1 0 198.354 1.961 20 0 ADADRO C[C@@H](C[NH2+]C1[C@H](C)CC[C@H]1C)N(C)C 924954279 630074577 /nfs/dbraw/zinc/07/45/77/630074577.db2.gz DQASQNZBNPHBMN-MXWKQRLJSA-N 1 0 198.354 1.961 20 0 ADADRO CCCCN1CC[C@@]2(CCC[NH2+]2)C1 335599421 630075962 /nfs/dbraw/zinc/07/59/62/630075962.db2.gz QZQPODCXTHKVSK-NSHDSACASA-N 1 0 182.311 1.614 20 0 ADADRO Cc1ncoc1C[NH2+][C@H](CO)C(C)C 894319634 630075292 /nfs/dbraw/zinc/07/52/92/630075292.db2.gz CPKBLICKTZFPGL-SECBINFHSA-N 1 0 198.266 1.090 20 0 ADADRO Cc1ncoc1C[NH2+]CCC1CC1 894315808 630075306 /nfs/dbraw/zinc/07/53/06/630075306.db2.gz NCRMZKCDELAJEL-UHFFFAOYSA-N 1 0 180.251 1.873 20 0 ADADRO Cc1ncoc1C[NH2+][C@@H]1CCSC1 894315531 630075398 /nfs/dbraw/zinc/07/53/98/630075398.db2.gz KCAZSXUAGHHMRB-MRVPVSSYSA-N 1 0 198.291 1.578 20 0 ADADRO Cc1ccc2c(c1)[C@H](C[NH3+])CC(=O)N2 83966657 630075427 /nfs/dbraw/zinc/07/54/27/630075427.db2.gz VBGVNRLHPPEALW-QMMMGPOBSA-N 1 0 190.246 1.380 20 0 ADADRO Cc1ncoc1C[NH2+][C@H]1CCSC1 894315532 630075449 /nfs/dbraw/zinc/07/54/49/630075449.db2.gz KCAZSXUAGHHMRB-QMMMGPOBSA-N 1 0 198.291 1.578 20 0 ADADRO CN(C(=O)C[NH3+])C1CCCCCCC1 83933720 630075625 /nfs/dbraw/zinc/07/56/25/630075625.db2.gz HVCFNKRMAPNXCM-UHFFFAOYSA-N 1 0 198.310 1.516 20 0 ADADRO [NH3+]C[C@@H]1CC(=O)Nc2ccc(F)cc21 83982918 630075739 /nfs/dbraw/zinc/07/57/39/630075739.db2.gz UKZALZPDENRBPR-LURJTMIESA-N 1 0 194.209 1.210 20 0 ADADRO Cc1cnccc1C[NH+]1CC2(CC2)C1 335376823 630075985 /nfs/dbraw/zinc/07/59/85/630075985.db2.gz XFNPGXDUJNVPFC-UHFFFAOYSA-N 1 0 188.274 1.986 20 0 ADADRO C1C[C@@H](C[NH+]2CC3(CC3)C2)CS1 335383396 630076278 /nfs/dbraw/zinc/07/62/78/630076278.db2.gz WWGZJXIXTMIJGV-VIFPVBQESA-N 1 0 183.320 1.835 20 0 ADADRO CCCCN1CC[C@]2(CCC[NH2+]2)C1 335599420 630076634 /nfs/dbraw/zinc/07/66/34/630076634.db2.gz QZQPODCXTHKVSK-LLVKDONJSA-N 1 0 182.311 1.614 20 0 ADADRO CC[NH2+][C@@H]1CCc2cccnc2CC1 335021241 630076689 /nfs/dbraw/zinc/07/66/89/630076689.db2.gz LRCSRXUIONHIAA-LLVKDONJSA-N 1 0 190.290 1.939 20 0 ADADRO CCCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 335514262 630076735 /nfs/dbraw/zinc/07/67/35/630076735.db2.gz MHSJHEVAVGLVFR-NSHDSACASA-N 1 0 196.294 1.141 20 0 ADADRO C1C[C@H](C[NH+]2CC3(CC3)C2)CS1 335383393 630076822 /nfs/dbraw/zinc/07/68/22/630076822.db2.gz WWGZJXIXTMIJGV-SECBINFHSA-N 1 0 183.320 1.835 20 0 ADADRO [NH2+]=C(NCCCF)Nc1ccccc1 306183063 630082704 /nfs/dbraw/zinc/08/27/04/630082704.db2.gz ZGMLOERMTWOTIV-UHFFFAOYSA-N 1 0 195.241 1.982 20 0 ADADRO CC[C@@H](C)Nc1nc(N)cc(C)[nH+]1 84446438 630078334 /nfs/dbraw/zinc/07/83/34/630078334.db2.gz LIVGSZFOYHYOEJ-ZCFIWIBFSA-N 1 0 180.255 1.578 20 0 ADADRO Cc1cc(N)nc(NCC(C)C)[nH+]1 84446436 630078458 /nfs/dbraw/zinc/07/84/58/630078458.db2.gz YWEMGBFVFAZUAA-UHFFFAOYSA-N 1 0 180.255 1.435 20 0 ADADRO CC(C)CNC(=O)CC[NH2+]CC1CC1 163143183 630079517 /nfs/dbraw/zinc/07/95/17/630079517.db2.gz HOBNTVVHSIXLPT-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[C@H]2O)C1 306179321 630080343 /nfs/dbraw/zinc/08/03/43/630080343.db2.gz GZXYCXAKCCTASP-DDHJBXDOSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H](C1CC1)[N@H+](C)CC1OCCO1 306165531 630080569 /nfs/dbraw/zinc/08/05/69/630080569.db2.gz UCWQGZBEHCJVAL-MRVPVSSYSA-N 1 0 185.267 1.090 20 0 ADADRO C[C@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2O)C1 306179326 630080782 /nfs/dbraw/zinc/08/07/82/630080782.db2.gz GZXYCXAKCCTASP-NNYUYHANSA-N 1 0 197.322 1.926 20 0 ADADRO Cc1nonc1C[NH2+][C@@H]1CCC1(C)C 306164143 630080803 /nfs/dbraw/zinc/08/08/03/630080803.db2.gz KYGPMOIFVRRTCW-SECBINFHSA-N 1 0 195.266 1.656 20 0 ADADRO OCC[N@@H+]1CCC2(CCCC2)C1 306181564 630080837 /nfs/dbraw/zinc/08/08/37/630080837.db2.gz PVFLYGDURYDULR-UHFFFAOYSA-N 1 0 169.268 1.245 20 0 ADADRO CC[C@@H]1CCC[N@@H+]1Cn1cnnc1 306168999 630080850 /nfs/dbraw/zinc/08/08/50/630080850.db2.gz JRMGNVCHZDCXSX-SECBINFHSA-N 1 0 180.255 1.110 20 0 ADADRO Cc1nonc1C[NH2+][C@H]1CCC1(C)C 306164147 630080971 /nfs/dbraw/zinc/08/09/71/630080971.db2.gz KYGPMOIFVRRTCW-VIFPVBQESA-N 1 0 195.266 1.656 20 0 ADADRO CC1(C)CC[C@@H]1[NH2+]Cc1cnc[nH]1 306179346 630081088 /nfs/dbraw/zinc/08/10/88/630081088.db2.gz HCQOLQVMNTVPDH-VIFPVBQESA-N 1 0 179.267 1.688 20 0 ADADRO CN1CC[NH+]=C1NCC1(C)CCCC1 306182057 630081143 /nfs/dbraw/zinc/08/11/43/630081143.db2.gz SPONVSNSYHOFJR-UHFFFAOYSA-N 1 0 195.310 1.458 20 0 ADADRO [NH3+]C1CCN(C(=O)C=C2CCC2)CC1 306165789 630081431 /nfs/dbraw/zinc/08/14/31/630081431.db2.gz AJANUZUFPHXDNY-UHFFFAOYSA-N 1 0 194.278 1.046 20 0 ADADRO C[C@@H]1C[NH+]=C(NCC2(C3CC3)CC2)N1 306182611 630081944 /nfs/dbraw/zinc/08/19/44/630081944.db2.gz XDCSBNWONLUMSD-MRVPVSSYSA-N 1 0 193.294 1.114 20 0 ADADRO CC1(C)CC[C@H]1[NH2+]Cc1cnc[nH]1 306179344 630081973 /nfs/dbraw/zinc/08/19/73/630081973.db2.gz HCQOLQVMNTVPDH-SECBINFHSA-N 1 0 179.267 1.688 20 0 ADADRO CC[C@H]1CCC[N@@H+]1Cn1cnnc1 306169001 630082084 /nfs/dbraw/zinc/08/20/84/630082084.db2.gz JRMGNVCHZDCXSX-VIFPVBQESA-N 1 0 180.255 1.110 20 0 ADADRO C[C@@H](C1CC1)[N@H+](C)CC1OCCO1 306165534 630082271 /nfs/dbraw/zinc/08/22/71/630082271.db2.gz UCWQGZBEHCJVAL-QMMMGPOBSA-N 1 0 185.267 1.090 20 0 ADADRO C[Si](C)(C)C[N@@H+]1CCC[C@H]1CO 306164122 630082516 /nfs/dbraw/zinc/08/25/16/630082516.db2.gz VFDWWPINHGOPEP-VIFPVBQESA-N 1 0 187.359 1.321 20 0 ADADRO C[C@H]1C[C@@H](C)[N@H+](CC2OCCO2)C1 306211974 630084731 /nfs/dbraw/zinc/08/47/31/630084731.db2.gz RAQMXDBJWCWQNG-DTWKUNHWSA-N 1 0 185.267 1.090 20 0 ADADRO C1=CO[C@H](C[N@H+]2CC=CCC2)CC1 306219088 630084958 /nfs/dbraw/zinc/08/49/58/630084958.db2.gz MFHJMKYJPOMHAR-NSHDSACASA-N 1 0 179.263 1.941 20 0 ADADRO C[C@H]1CCC[C@@H]1CNC1=[NH+]CCN1C 306196366 630085143 /nfs/dbraw/zinc/08/51/43/630085143.db2.gz PXHJBUWODFMPIK-VHSXEESVSA-N 1 0 195.310 1.314 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)cn2)C1 306226590 630085350 /nfs/dbraw/zinc/08/53/50/630085350.db2.gz WCRBGJLQCCPKAS-NXEZZACHSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@H]1C[C@@H](C)C[N@H+]1CC1OCCO1 306211973 630085577 /nfs/dbraw/zinc/08/55/77/630085577.db2.gz RAQMXDBJWCWQNG-BDAKNGLRSA-N 1 0 185.267 1.090 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)cn2)C1 306226594 630085805 /nfs/dbraw/zinc/08/58/05/630085805.db2.gz WCRBGJLQCCPKAS-ZJUUUORDSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@H]1CCC[C@H]1CNC1=[NH+]CCN1C 306196365 630085898 /nfs/dbraw/zinc/08/58/98/630085898.db2.gz PXHJBUWODFMPIK-UWVGGRQHSA-N 1 0 195.310 1.314 20 0 ADADRO C[C@H](O)C[N@@H+]1CCC2(CCCC2)C1 306212597 630086356 /nfs/dbraw/zinc/08/63/56/630086356.db2.gz KNINYPCZPHTNOI-JTQLQIEISA-N 1 0 183.295 1.633 20 0 ADADRO CC[C@@H]1C[N@H+](CCF)CCCO1 306212272 630086385 /nfs/dbraw/zinc/08/63/85/630086385.db2.gz RNSFGLIIMIXTJR-SECBINFHSA-N 1 0 175.247 1.457 20 0 ADADRO C[C@H]1CC[C@H]([NH2+]Cc2cn(C)cn2)C1 306226591 630086547 /nfs/dbraw/zinc/08/65/47/630086547.db2.gz WCRBGJLQCCPKAS-UWVGGRQHSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1CCC[C@H]1CNC1=[NH+]CCN1C 306196367 630086664 /nfs/dbraw/zinc/08/66/64/630086664.db2.gz PXHJBUWODFMPIK-ZJUUUORDSA-N 1 0 195.310 1.314 20 0 ADADRO O[C@H](C[NH+]1CCC1)c1ccccc1 306207670 630086759 /nfs/dbraw/zinc/08/67/59/630086759.db2.gz ZAQPGZXLUMKSCV-LLVKDONJSA-N 1 0 177.247 1.426 20 0 ADADRO C[C@H]1C[C@H](C)[N@H+](CC2OCCO2)C1 306211975 630086863 /nfs/dbraw/zinc/08/68/63/630086863.db2.gz RAQMXDBJWCWQNG-IUCAKERBSA-N 1 0 185.267 1.090 20 0 ADADRO CCCC[N@@H+]1CCC2(C1)OCCO2 306190706 630086905 /nfs/dbraw/zinc/08/69/05/630086905.db2.gz FMLAHUOQDFNNOC-UHFFFAOYSA-N 1 0 185.267 1.235 20 0 ADADRO C[C@@H]1C[NH+]=C(NC[C@@H]2CC=CCC2)N1 306200068 630086937 /nfs/dbraw/zinc/08/69/37/630086937.db2.gz LOHJWQUYGVBGPR-NXEZZACHSA-N 1 0 193.294 1.280 20 0 ADADRO C1=CO[C@@H](C[N@H+]2CC=CCC2)CC1 306219087 630087059 /nfs/dbraw/zinc/08/70/59/630087059.db2.gz MFHJMKYJPOMHAR-LLVKDONJSA-N 1 0 179.263 1.941 20 0 ADADRO C[C@H]1CC[C@@H]([NH2+]Cc2cn(C)cn2)C1 306226592 630087110 /nfs/dbraw/zinc/08/71/10/630087110.db2.gz WCRBGJLQCCPKAS-VHSXEESVSA-N 1 0 193.294 1.698 20 0 ADADRO C[C@@H]1COCC[N@@H+]1C[Si](C)(C)C 306197740 630087117 /nfs/dbraw/zinc/08/71/17/630087117.db2.gz REZURXGHETTYNT-SECBINFHSA-N 1 0 187.359 1.585 20 0 ADADRO C[C@@H]1CCC[C@@H]1CNC1=[NH+]CCN1C 306196364 630087280 /nfs/dbraw/zinc/08/72/80/630087280.db2.gz PXHJBUWODFMPIK-NXEZZACHSA-N 1 0 195.310 1.314 20 0 ADADRO CC[NH+](CC)CCC1OCCO1 306239548 630088185 /nfs/dbraw/zinc/08/81/85/630088185.db2.gz GWZHDZBWQYMFDO-UHFFFAOYSA-N 1 0 173.256 1.091 20 0 ADADRO CCCC[N@H+](C)CCC1OCCO1 306237297 630089006 /nfs/dbraw/zinc/08/90/06/630089006.db2.gz OORRCSVIFSWRHF-UHFFFAOYSA-N 1 0 187.283 1.481 20 0 ADADRO C[Si](C)(C)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 306258285 630088299 /nfs/dbraw/zinc/08/82/99/630088299.db2.gz ZYETTYZYVDFEJR-ZJUUUORDSA-N 1 0 199.370 1.178 20 0 ADADRO C[C@@H]1C[N@H+](C[Si](C)(C)C)C[C@@H]1O 306362889 630097943 /nfs/dbraw/zinc/09/79/43/630097943.db2.gz VJGPDZMJUBSDDO-BDAKNGLRSA-N 1 0 187.359 1.176 20 0 ADADRO FCC[NH+]1CCC2(CCOC2)CC1 306238049 630088593 /nfs/dbraw/zinc/08/85/93/630088593.db2.gz PKBFPNBUCYEUJJ-UHFFFAOYSA-N 1 0 187.258 1.458 20 0 ADADRO C[Si](C)(C)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 306258284 630089123 /nfs/dbraw/zinc/08/91/23/630089123.db2.gz ZYETTYZYVDFEJR-VHSXEESVSA-N 1 0 199.370 1.178 20 0 ADADRO CC[N@H+](CC(C)C)CC1OCCO1 306228650 630089155 /nfs/dbraw/zinc/08/91/55/630089155.db2.gz XHZRBIPPAXIJKP-UHFFFAOYSA-N 1 0 187.283 1.337 20 0 ADADRO CC1(C[NH2+]CC2(C)OCCO2)CC1 306229588 630089343 /nfs/dbraw/zinc/08/93/43/630089343.db2.gz YQKGDAJTAWFAAM-UHFFFAOYSA-N 1 0 185.267 1.139 20 0 ADADRO CC(C)C[N@H+](C)CCC1OCCO1 306231619 630089370 /nfs/dbraw/zinc/08/93/70/630089370.db2.gz AHOZTFXKLBMPFW-UHFFFAOYSA-N 1 0 187.283 1.337 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 306228485 630089456 /nfs/dbraw/zinc/08/94/56/630089456.db2.gz HRCLKXVVHVFKHF-YTWAJWBKSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 306228486 630090073 /nfs/dbraw/zinc/09/00/73/630090073.db2.gz HRCLKXVVHVFKHF-ZNSHCXBVSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H](O)C[NH+]1CCC(F)(F)CC1 306264757 630092390 /nfs/dbraw/zinc/09/23/90/630092390.db2.gz AVEARUCTBYWYAK-SSDOTTSWSA-N 1 0 179.210 1.098 20 0 ADADRO C[C@@H]1COCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 306287729 630092673 /nfs/dbraw/zinc/09/26/73/630092673.db2.gz LOSAVZBUAHMVIE-DCAQKATOSA-N 1 0 183.295 1.611 20 0 ADADRO C[C@@H]([NH2+]CC1(C)OCCO1)C1CC1 306279614 630092688 /nfs/dbraw/zinc/09/26/88/630092688.db2.gz HSLHGIIGGOTNAH-MRVPVSSYSA-N 1 0 185.267 1.138 20 0 ADADRO CC(C)NC(=[NH2+])NC[C@H]1CC=CCC1 306276362 630093402 /nfs/dbraw/zinc/09/34/02/630093402.db2.gz DVUIKXBADZDKFJ-JTQLQIEISA-N 1 0 195.310 1.865 20 0 ADADRO CC[N@H+](CC1OCCO1)C(C)C 306276413 630093480 /nfs/dbraw/zinc/09/34/80/630093480.db2.gz GWNCJMDHQKYUTO-UHFFFAOYSA-N 1 0 173.256 1.090 20 0 ADADRO C[C@H]([NH2+]CC1(C)OCCO1)C1CC1 306279615 630094078 /nfs/dbraw/zinc/09/40/78/630094078.db2.gz HSLHGIIGGOTNAH-QMMMGPOBSA-N 1 0 185.267 1.138 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CO 306269562 630094208 /nfs/dbraw/zinc/09/42/08/630094208.db2.gz MDRINJONKPXPFI-ZRUFSTJUSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cnc[nH]1 306294869 630094807 /nfs/dbraw/zinc/09/48/07/630094807.db2.gz WISYCIPKMKILKA-CBAPKCEASA-N 1 0 197.307 1.251 20 0 ADADRO CC(C)(C)C[NH2+]CC1(C)OCCO1 306307909 630094866 /nfs/dbraw/zinc/09/48/66/630094866.db2.gz FYWLTJTZYNYTMG-UHFFFAOYSA-N 1 0 187.283 1.385 20 0 ADADRO C[C@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CC[C@H]1O 306335690 630094996 /nfs/dbraw/zinc/09/49/96/630094996.db2.gz GNRKSYDBSAAQMB-IYKVGLELSA-N 1 0 197.322 1.924 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 306335603 630095024 /nfs/dbraw/zinc/09/50/24/630095024.db2.gz 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/nfs/dbraw/zinc/09/82/88/630098288.db2.gz WTQPXWWHHYGJTD-GHMZBOCLSA-N 1 0 195.262 1.509 20 0 ADADRO C[C@H]1C[N@H+](C[Si](C)(C)C)C[C@H]1O 306362890 630098344 /nfs/dbraw/zinc/09/83/44/630098344.db2.gz VJGPDZMJUBSDDO-DTWKUNHWSA-N 1 0 187.359 1.176 20 0 ADADRO C[N@H+](CCC1OCCO1)C1CCC1 306347339 630098384 /nfs/dbraw/zinc/09/83/84/630098384.db2.gz SBQRASKKTWXBPS-UHFFFAOYSA-N 1 0 185.267 1.234 20 0 ADADRO CC[C@H](C)[N@H+](C)CCC1OCCO1 306362423 630098926 /nfs/dbraw/zinc/09/89/26/630098926.db2.gz SREJNXMKICAQHP-VIFPVBQESA-N 1 0 187.283 1.480 20 0 ADADRO c1cc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)no1 306363524 630098953 /nfs/dbraw/zinc/09/89/53/630098953.db2.gz YIQMGORPTCGPEE-GDPRMGEGSA-N 1 0 192.262 1.953 20 0 ADADRO C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]1O 306335693 630099279 /nfs/dbraw/zinc/09/92/79/630099279.db2.gz GNRKSYDBSAAQMB-YBXAARCKSA-N 1 0 197.322 1.924 20 0 ADADRO CCNC(=[NH2+])NCc1occc1C 306366383 630099352 /nfs/dbraw/zinc/09/93/52/630099352.db2.gz FTJOVEPXHIREHE-UHFFFAOYSA-N 1 0 181.239 1.222 20 0 ADADRO CC1(C)C[N@H+](C/C=C/Cl)C[C@H]1O 306361996 630099777 /nfs/dbraw/zinc/09/97/77/630099777.db2.gz QWOYTYUHOKVDOJ-MPJRPATESA-N 1 0 189.686 1.442 20 0 ADADRO CC[C@@H](C)[N@H+](C)CCC1OCCO1 306362422 630100019 /nfs/dbraw/zinc/10/00/19/630100019.db2.gz SREJNXMKICAQHP-SECBINFHSA-N 1 0 187.283 1.480 20 0 ADADRO C[C@H]1C[N@H+](C[Si](C)(C)C)C[C@@H]1O 306362891 630100073 /nfs/dbraw/zinc/10/00/73/630100073.db2.gz VJGPDZMJUBSDDO-IUCAKERBSA-N 1 0 187.359 1.176 20 0 ADADRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H]2O)[C@H](C)C1 306335691 630100131 /nfs/dbraw/zinc/10/01/31/630100131.db2.gz GNRKSYDBSAAQMB-LZQZFOIKSA-N 1 0 197.322 1.924 20 0 ADADRO CO[C@H](C)C[NH+]1CCC(F)(F)CC1 306341080 630100265 /nfs/dbraw/zinc/10/02/65/630100265.db2.gz LJRIORUSMVHWLC-MRVPVSSYSA-N 1 0 193.237 1.752 20 0 ADADRO C[C@@H]1CCC[N@@H+]1CCC1OCCO1 306363808 630100372 /nfs/dbraw/zinc/10/03/72/630100372.db2.gz ZIAVUOLYBKMWAV-SECBINFHSA-N 1 0 185.267 1.234 20 0 ADADRO FCC[N@@H+]1CCC2(CCOCC2)C1 306344232 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630138169 /nfs/dbraw/zinc/13/81/69/630138169.db2.gz PAKNYEFGWSEEDT-IJLUTSLNSA-N 1 0 196.338 1.859 20 0 ADADRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc[nH]1 306948656 630138260 /nfs/dbraw/zinc/13/82/60/630138260.db2.gz UHUCOOPKQKXOFY-ATZCPNFKSA-N 1 0 194.278 1.843 20 0 ADADRO CCC1(CNC2=[NH+]CCCN2C)CC1 306893915 630138383 /nfs/dbraw/zinc/13/83/83/630138383.db2.gz KJDKWUGVCIQQPF-UHFFFAOYSA-N 1 0 195.310 1.458 20 0 ADADRO C/C=C(/C)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C 306946114 630138485 /nfs/dbraw/zinc/13/84/85/630138485.db2.gz KZRDIPJXQAHJCI-BBYBGLFNSA-N 1 0 196.294 1.148 20 0 ADADRO C[C@H]1C[NH+]=C(NCCC(C)(C)C)N1 306967098 630138544 /nfs/dbraw/zinc/13/85/44/630138544.db2.gz MHVVHLXAYNOZOD-QMMMGPOBSA-N 1 0 183.299 1.360 20 0 ADADRO C[N@H+](C[C@H]1CCC=CO1)C1CC1 306919860 630138637 /nfs/dbraw/zinc/13/86/37/630138637.db2.gz FEVIMRNNBPYSQN-SNVBAGLBSA-N 1 0 167.252 1.773 20 0 ADADRO CC[C@@H]1C[C@H](C)CN1C[C@H]1CCC[NH2+]1 306969041 630138790 /nfs/dbraw/zinc/13/87/90/630138790.db2.gz 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CC[N@@H+]1CCCC[C@@H]1C1OCCO1 307008790 630140733 /nfs/dbraw/zinc/14/07/33/630140733.db2.gz HPVACAJIRGJZSZ-SECBINFHSA-N 1 0 185.267 1.234 20 0 ADADRO CCNC(=[NH2+])NCC1=CCCCC1 306984735 630140966 /nfs/dbraw/zinc/14/09/66/630140966.db2.gz VPLHCMBMGYHQCW-UHFFFAOYSA-N 1 0 181.283 1.621 20 0 ADADRO C[N@@H+]1CCC[C@H]1Cn1ccsc1=O 307028619 630141001 /nfs/dbraw/zinc/14/10/01/630141001.db2.gz IOHAUNBGMWRAGX-QMMMGPOBSA-N 1 0 198.291 1.004 20 0 ADADRO O[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC12CCCC2 306999711 630141016 /nfs/dbraw/zinc/14/10/16/630141016.db2.gz BHFBRUSPZKMYMS-GMTAPVOTSA-N 1 0 195.306 1.822 20 0 ADADRO CC[N@@H+]1CCCC[C@H]1C1OCCO1 307008792 630141103 /nfs/dbraw/zinc/14/11/03/630141103.db2.gz HPVACAJIRGJZSZ-VIFPVBQESA-N 1 0 185.267 1.234 20 0 ADADRO C[NH+](C)C1(CNc2nccs2)CC1 306981674 630141154 /nfs/dbraw/zinc/14/11/54/630141154.db2.gz IFJUAGCFTIMNCG-UHFFFAOYSA-N 1 0 197.307 1.649 20 0 ADADRO CCC[N@H+](CC)CC1OCCO1 306974731 630141159 /nfs/dbraw/zinc/14/11/59/630141159.db2.gz XHOHEPIRXTUGJY-UHFFFAOYSA-N 1 0 173.256 1.091 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H]1C 307005924 630141176 /nfs/dbraw/zinc/14/11/76/630141176.db2.gz FKUDSDLVKPRBHB-WYUUTHIRSA-N 1 0 197.322 1.926 20 0 ADADRO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)[C@@H](C)O1 306996745 630141589 /nfs/dbraw/zinc/14/15/89/630141589.db2.gz TYNPNHMBUDALPO-FNIGLHSCSA-N 1 0 189.686 1.894 20 0 ADADRO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C/C=C/Cl 306996748 630141667 /nfs/dbraw/zinc/14/16/67/630141667.db2.gz TYNPNHMBUDALPO-ORDVQYNKSA-N 1 0 189.686 1.894 20 0 ADADRO CCC[C@H](C)[N@@H+]1CCC2(C1)OCCO2 307025520 630141756 /nfs/dbraw/zinc/14/17/56/630141756.db2.gz JLYOMNMFNUQIPS-JTQLQIEISA-N 1 0 199.294 1.624 20 0 ADADRO CC[C@H](C)[N@H+](C)CC1OCCO1 307103586 630144236 /nfs/dbraw/zinc/14/42/36/630144236.db2.gz ANVUCPHDWNVRNV-QMMMGPOBSA-N 1 0 173.256 1.090 20 0 ADADRO CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@H]23)C1 307096848 630144283 /nfs/dbraw/zinc/14/42/83/630144283.db2.gz DAKDTWYLNSBTBP-RHYQMDGZSA-N 1 0 194.322 1.469 20 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630145219 /nfs/dbraw/zinc/14/52/19/630145219.db2.gz RRSZEBZFIBNJFW-VIFPVBQESA-N 1 0 196.225 1.099 20 0 ADADRO C[C@@H]1C[NH+]=C(NCC2(C)CCCC2)N1 307054049 630145304 /nfs/dbraw/zinc/14/53/04/630145304.db2.gz LBFIXXPQLIVVCH-SECBINFHSA-N 1 0 195.310 1.504 20 0 ADADRO CON1CCC([NH2+]C2CCC2)CC1 307052371 630145328 /nfs/dbraw/zinc/14/53/28/630145328.db2.gz UNTGTRJGZIXAKF-UHFFFAOYSA-N 1 0 184.283 1.154 20 0 ADADRO [NH3+]CCc1noc([C@@H]2CC=CCC2)n1 307077553 630145377 /nfs/dbraw/zinc/14/53/77/630145377.db2.gz DQIGMYGTTPPONT-MRVPVSSYSA-N 1 0 193.250 1.395 20 0 ADADRO CC[C@H]1CC[N@H+](CC2OCCO2)C1 307085807 630145670 /nfs/dbraw/zinc/14/56/70/630145670.db2.gz MSTZUUOFLPZWGX-VIFPVBQESA-N 1 0 185.267 1.091 20 0 ADADRO CC(C)=CCN[C@H]1CCC[NH2+][C@@H]1C 307084439 630145762 /nfs/dbraw/zinc/14/57/62/630145762.db2.gz ISEYCVSTNJRBRS-MNOVXSKESA-N 1 0 182.311 1.683 20 0 ADADRO Fc1ccc(C[NH2+][C@@H]2CCOC2)cn1 307080037 630145943 /nfs/dbraw/zinc/14/59/43/630145943.db2.gz RRSZEBZFIBNJFW-SECBINFHSA-N 1 0 196.225 1.099 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C[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 898202582 630396956 /nfs/dbraw/zinc/39/69/56/630396956.db2.gz KBWGRABSJAMOAF-JLLWLGSASA-N 1 0 197.322 1.926 20 0 ADADRO C[C@H]1CC[C@@H]1[NH2+][C@@H](C)C(C)(C)O 898123715 630396979 /nfs/dbraw/zinc/39/69/79/630396979.db2.gz MXHXRNOFVQSGEL-CIUDSAMLSA-N 1 0 171.284 1.534 20 0 ADADRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)C1CC1 898202358 630397030 /nfs/dbraw/zinc/39/70/30/630397030.db2.gz AALHQPUUIZCPMI-KCJUWKMLSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)C1CC1 898202360 630397057 /nfs/dbraw/zinc/39/70/57/630397057.db2.gz AALHQPUUIZCPMI-LDYMZIIASA-N 1 0 183.295 1.536 20 0 ADADRO CC(C)[C@H](C)[NH2+]CC[C@@H](O)C1CC1 898203145 630397064 /nfs/dbraw/zinc/39/70/64/630397064.db2.gz SEYZRUDXCDZLLU-GXSJLCMTSA-N 1 0 185.311 1.782 20 0 ADADRO CC[C@@H](C)C[NH2+]CC[C@@H](O)C1CC1 898202659 630397101 /nfs/dbraw/zinc/39/71/01/630397101.db2.gz DCISCUWGEJGPEH-MWLCHTKSSA-N 1 0 185.311 1.783 20 0 ADADRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(C)(C)O 898119907 630397117 /nfs/dbraw/zinc/39/71/17/630397117.db2.gz YFHZHJHOSVOJBQ-CIUDSAMLSA-N 1 0 189.299 1.159 20 0 ADADRO CC[C@H](C)C[NH2+]CC[C@H](O)C1CC1 898202661 630397126 /nfs/dbraw/zinc/39/71/26/630397126.db2.gz DCISCUWGEJGPEH-ONGXEEELSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@@H]1CC[C@H]1[NH2+]CC[C@@H](O)C1CC1 898203251 630397131 /nfs/dbraw/zinc/39/71/31/630397131.db2.gz HDRSXNIRGCSQFH-FBIMIBRVSA-N 1 0 183.295 1.536 20 0 ADADRO C[C@H]1CC[C@H]1[NH2+][C@@H](C)C(C)(C)O 898123716 630397404 /nfs/dbraw/zinc/39/74/04/630397404.db2.gz MXHXRNOFVQSGEL-XHNCKOQMSA-N 1 0 171.284 1.534 20 0 ADADRO CC(C)[C@@H](C)[NH2+]CC[C@H](O)C1CC1 898203146 630397444 /nfs/dbraw/zinc/39/74/44/630397444.db2.gz SEYZRUDXCDZLLU-KOLCDFICSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H]1C[C@H]1C[NH2+]CC[C@@H](O)C1CC1 898202450 630397509 /nfs/dbraw/zinc/39/75/09/630397509.db2.gz BQHFMGJRHIAPPY-DVVUODLYSA-N 1 0 183.295 1.393 20 0 ADADRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(C)(C)O 898119908 630397533 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630748243 /nfs/dbraw/zinc/74/82/43/630748243.db2.gz QIRGFZWCZWQKRG-NXEZZACHSA-N 1 0 198.310 1.420 20 0 ADADRO CCC(N)=[NH+]OC[C@@H]1C[C@H]1CC 902218745 630748316 /nfs/dbraw/zinc/74/83/16/630748316.db2.gz NBDHICYYGKYASJ-SFYZADRCSA-N 1 0 170.256 1.941 20 0 ADADRO CC(C)CN(C[C@H]1CCC[NH2+]1)C1CC1 42559892 630748350 /nfs/dbraw/zinc/74/83/50/630748350.db2.gz AMGFNJYYJUKWLL-LLVKDONJSA-N 1 0 196.338 1.859 20 0 ADADRO CC1(CNC(=O)CCCCC[NH3+])CC1 232228230 630748362 /nfs/dbraw/zinc/74/83/62/630748362.db2.gz PIDAJKKJXBESDM-UHFFFAOYSA-N 1 0 198.310 1.422 20 0 ADADRO CCCC[NH2+]CC(C)(C)C(=O)NC 231788772 630748455 /nfs/dbraw/zinc/74/84/55/630748455.db2.gz BJNVLYDPXUBENM-UHFFFAOYSA-N 1 0 186.299 1.148 20 0 ADADRO CCC(N)=[NH+]OCCOC1CC1 902218821 630748602 /nfs/dbraw/zinc/74/86/02/630748602.db2.gz NQEANMYKJIKWNW-UHFFFAOYSA-N 1 0 172.228 1.074 20 0 ADADRO CC(C)=CC[NH2+]Cc1cnc[nH]1 232618773 630748733 /nfs/dbraw/zinc/74/87/33/630748733.db2.gz UMIMWIUDACNSDA-UHFFFAOYSA-N 1 0 165.240 1.466 20 0 ADADRO CC(C)CCN(C)C[C@H]1CCC[NH2+]1 42457823 630748742 /nfs/dbraw/zinc/74/87/42/630748742.db2.gz MCABSBGITKSXMV-LLVKDONJSA-N 1 0 184.327 1.716 20 0 ADADRO CC(C)C[NH2+]C/C=C/Cl 232589647 630748763 /nfs/dbraw/zinc/74/87/63/630748763.db2.gz RNNUCOYCYUFALM-ONEGZZNKSA-N 1 0 147.649 1.985 20 0 ADADRO [NH3+]C1(CNCc2cscn2)CCC1 88052197 630748769 /nfs/dbraw/zinc/74/87/69/630748769.db2.gz LYWLDJHKBRKVQK-UHFFFAOYSA-N 1 0 197.307 1.114 20 0 ADADRO CC(C)=CCNC(=[NH2+])NC(C)(C)C 232588221 630748780 /nfs/dbraw/zinc/74/87/80/630748780.db2.gz ILWMGUTYFCABHU-UHFFFAOYSA-N 1 0 183.299 1.865 20 0 ADADRO C1C[NH2+][C@@H](CN(C2CC2)C2CC2)C1 232463315 630748800 /nfs/dbraw/zinc/74/88/00/630748800.db2.gz FQIANOXDDJNGRR-SECBINFHSA-N 1 0 180.295 1.365 20 0 ADADRO CCC[NH2+]Cc1cncc(OC)c1 162879630 630749120 /nfs/dbraw/zinc/74/91/20/630749120.db2.gz QOYZROJPMOAGES-UHFFFAOYSA-N 1 0 180.251 1.590 20 0 ADADRO CC(C)C1(C[NH2+][C@H](C)[C@@H](C)O)CC1 232532338 630749127 /nfs/dbraw/zinc/74/91/27/630749127.db2.gz 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CC[C@@H](CSC)[NH2+]Cc1cnc[nH]1 162172187 630749665 /nfs/dbraw/zinc/74/96/65/630749665.db2.gz NKXCTRLYINKKQT-QMMMGPOBSA-N 1 0 199.323 1.641 20 0 ADADRO CC(C)=CC[NH2+]C[C@@H]1CCCOC1 232608910 630749715 /nfs/dbraw/zinc/74/97/15/630749715.db2.gz JEOOOSLABBHUBU-NSHDSACASA-N 1 0 183.295 1.969 20 0 ADADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CN 232592863 630749772 /nfs/dbraw/zinc/74/97/72/630749772.db2.gz MXWVBNZQLABGEN-BDAKNGLRSA-N 1 0 158.289 1.358 20 0 ADADRO c1ccc(COCOC2C[NH2+]C2)cc1 232469837 630749853 /nfs/dbraw/zinc/74/98/53/630749853.db2.gz NIKHDOPEXWMLOV-UHFFFAOYSA-N 1 0 193.246 1.149 20 0 ADADRO CC[NH2+]Cc1cncc(OC)c1 162879078 630749870 /nfs/dbraw/zinc/74/98/70/630749870.db2.gz MOMZLEKBYXWTTP-UHFFFAOYSA-N 1 0 166.224 1.200 20 0 ADADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CN 232629660 630750052 /nfs/dbraw/zinc/75/00/52/630750052.db2.gz MXWVBNZQLABGEN-IUCAKERBSA-N 1 0 158.289 1.358 20 0 ADADRO CC(C)=CCNC(=[NH2+])NC(C)C 232636611 630749944 /nfs/dbraw/zinc/74/99/44/630749944.db2.gz PAQUNXJBZXIBAO-UHFFFAOYSA-N 1 0 169.272 1.475 20 0 ADADRO CC(C)=CC[NH2+]C[C@H]1CCCOC1 232611563 630750203 /nfs/dbraw/zinc/75/02/03/630750203.db2.gz JEOOOSLABBHUBU-LLVKDONJSA-N 1 0 183.295 1.969 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cnn(C)n1 924800042 630750268 /nfs/dbraw/zinc/75/02/68/630750268.db2.gz YINWGOJXKKDRHP-VGMNWLOBSA-N 1 0 194.282 1.122 20 0 ADADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)CN 232576189 630750307 /nfs/dbraw/zinc/75/03/07/630750307.db2.gz NCDXRAPGFUQUOA-UWVGGRQHSA-N 1 0 172.316 1.748 20 0 ADADRO COC[C@@H](C)C[NH2+][C@@H](C)c1ncc[nH]1 163393100 630750318 /nfs/dbraw/zinc/75/03/18/630750318.db2.gz QNXCGBBIKKMUBN-IUCAKERBSA-N 1 0 197.282 1.343 20 0 ADADRO CC(C)=CCNC(=[NH2+])NCC(C)C 232609705 630750341 /nfs/dbraw/zinc/75/03/41/630750341.db2.gz IGTIMSJLBJIYJY-UHFFFAOYSA-N 1 0 183.299 1.723 20 0 ADADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cnn(C)n1 924800041 630750454 /nfs/dbraw/zinc/75/04/54/630750454.db2.gz YINWGOJXKKDRHP-HRDYMLBCSA-N 1 0 194.282 1.122 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cnnn1C 924797811 630750403 /nfs/dbraw/zinc/75/04/03/630750403.db2.gz KWNYQQDQUGBYPT-CIUDSAMLSA-N 1 0 194.282 1.122 20 0 ADADRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cnnn1C 924797814 630750633 /nfs/dbraw/zinc/75/06/33/630750633.db2.gz KWNYQQDQUGBYPT-HRDYMLBCSA-N 1 0 194.282 1.122 20 0 ADADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cnn(C)n1 924800043 630750639 /nfs/dbraw/zinc/75/06/39/630750639.db2.gz YINWGOJXKKDRHP-XHNCKOQMSA-N 1 0 194.282 1.122 20 0 ADADRO COC[C@H](C)C[NH2+][C@@H](C)c1ncc[nH]1 163393176 630750662 /nfs/dbraw/zinc/75/06/62/630750662.db2.gz QNXCGBBIKKMUBN-BDAKNGLRSA-N 1 0 197.282 1.343 20 0 ADADRO Cc1nonc1[C@@H](C)[NH2+]CC1CCC1 924801192 630750588 /nfs/dbraw/zinc/75/05/88/630750588.db2.gz CKDQRFCDNNGRBW-SSDOTTSWSA-N 1 0 195.266 1.829 20 0 ADADRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cnnn1C 924797821 630750715 /nfs/dbraw/zinc/75/07/15/630750715.db2.gz KWNYQQDQUGBYPT-XHNCKOQMSA-N 1 0 194.282 1.122 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cnn(C)n1 924800039 630750750 /nfs/dbraw/zinc/75/07/50/630750750.db2.gz YINWGOJXKKDRHP-CIUDSAMLSA-N 1 0 194.282 1.122 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]CC1CCC1 924801195 630750781 /nfs/dbraw/zinc/75/07/81/630750781.db2.gz CKDQRFCDNNGRBW-ZETCQYMHSA-N 1 0 195.266 1.829 20 0 ADADRO C[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 929460770 630750788 /nfs/dbraw/zinc/75/07/88/630750788.db2.gz CGMVILFUEODYGT-NXEZZACHSA-N 1 0 191.278 1.879 20 0 ADADRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cnnn1C 924797817 630750903 /nfs/dbraw/zinc/75/09/03/630750903.db2.gz KWNYQQDQUGBYPT-VGMNWLOBSA-N 1 0 194.282 1.122 20 0 ADADRO C[C@H]([NH2+][C@H](C)[C@H](C)O)c1ccccn1 88169811 630751048 /nfs/dbraw/zinc/75/10/48/630751048.db2.gz APGVAUHDWKLXLT-UTLUCORTSA-N 1 0 194.278 1.502 20 0 ADADRO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](C)C1 929460773 630751127 /nfs/dbraw/zinc/75/11/27/630751127.db2.gz CGMVILFUEODYGT-ZJUUUORDSA-N 1 0 191.278 1.879 20 0 ADADRO C[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 929460771 630751270 /nfs/dbraw/zinc/75/12/70/630751270.db2.gz CGMVILFUEODYGT-UWVGGRQHSA-N 1 0 191.278 1.879 20 0 ADADRO C[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 929460772 630751427 /nfs/dbraw/zinc/75/14/27/630751427.db2.gz CGMVILFUEODYGT-VHSXEESVSA-N 1 0 191.278 1.879 20 0 ADADRO C[C@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccn1 88169810 630751497 /nfs/dbraw/zinc/75/14/97/630751497.db2.gz APGVAUHDWKLXLT-GUBZILKMSA-N 1 0 194.278 1.502 20 0 ADADRO C[C@@H](O)C[NH2+][C@H](C1CC1)C(C)(C)C 323972658 630751692 /nfs/dbraw/zinc/75/16/92/630751692.db2.gz IPCSAIZVXUKBRA-PSASIEDQSA-N 1 0 185.311 1.782 20 0 ADADRO Cc1ncc(CN[C@H]2C[C@H]([NH3+])C2)s1 906508302 630751705 /nfs/dbraw/zinc/75/17/05/630751705.db2.gz LWBMWYBFWXMKFG-ZKCHVHJHSA-N 1 0 197.307 1.031 20 0 ADADRO [NH3+][C@H]1C[C@H](NCc2ccccc2F)C1 906508347 630751737 /nfs/dbraw/zinc/75/17/37/630751737.db2.gz ODASSBMJQNVBOZ-MGCOHNPYSA-N 1 0 194.253 1.405 20 0 ADADRO C[C@@H](CO)[NH2+][C@@H](C1CC1)C(C)(C)C 323975268 630751760 /nfs/dbraw/zinc/75/17/60/630751760.db2.gz JCNWKEIHBOTPMQ-WPRPVWTQSA-N 1 0 185.311 1.782 20 0 ADADRO CC(C)(C)[C@H]([NH2+]CCCO)C1CC1 323989650 630751789 /nfs/dbraw/zinc/75/17/89/630751789.db2.gz LEUONHDJSNHJPQ-SNVBAGLBSA-N 1 0 185.311 1.783 20 0 ADADRO C[C@@H](CO)[NH2+][C@H](C1CC1)C(C)(C)C 323975267 630751820 /nfs/dbraw/zinc/75/18/20/630751820.db2.gz JCNWKEIHBOTPMQ-WCBMZHEXSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@H](O)C[NH2+][C@@H](C1CC1)C(C)(C)C 323972662 630751894 /nfs/dbraw/zinc/75/18/94/630751894.db2.gz IPCSAIZVXUKBRA-WPRPVWTQSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@H](CO)[NH2+][C@H](C1CC1)C(C)(C)C 323975264 630751886 /nfs/dbraw/zinc/75/18/86/630751886.db2.gz JCNWKEIHBOTPMQ-PSASIEDQSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H](C1CC1)C(C)(C)C 323972659 630751850 /nfs/dbraw/zinc/75/18/50/630751850.db2.gz IPCSAIZVXUKBRA-SCZZXKLOSA-N 1 0 185.311 1.782 20 0 ADADRO C[C@H](O)C[NH2+][C@H](C1CC1)C(C)(C)C 323972661 630751858 /nfs/dbraw/zinc/75/18/58/630751858.db2.gz IPCSAIZVXUKBRA-WCBMZHEXSA-N 1 0 185.311 1.782 20 0 ADADRO Cc1nc(CN[C@H]2C[C@H]([NH3+])C2)cs1 906507582 630752128 /nfs/dbraw/zinc/75/21/28/630752128.db2.gz APZYCOPBKBHXFA-ZKCHVHJHSA-N 1 0 197.307 1.031 20 0 ADADRO Cc1csc(CN[C@H]2C[C@H]([NH3+])C2)n1 906507583 630752751 /nfs/dbraw/zinc/75/27/51/630752751.db2.gz AQIMXJMZWOHSBK-ZKCHVHJHSA-N 1 0 197.307 1.031 20 0 ADADRO Cc1ncsc1CN[C@H]1C[C@H]([NH3+])C1 906508744 630752958 /nfs/dbraw/zinc/75/29/58/630752958.db2.gz XJECCEYWYLHRPT-ZKCHVHJHSA-N 1 0 197.307 1.031 20 0 ADADRO C[C@@H]([NH2+]C1CCC1)c1cnnn1C 925378212 630753329 /nfs/dbraw/zinc/75/33/29/630753329.db2.gz WGHBBGXDPGAGPG-SSDOTTSWSA-N 1 0 180.255 1.018 20 0 ADADRO C[C@H]([NH2+]C1CCC1)c1cnnn1C 925378213 630753975 /nfs/dbraw/zinc/75/39/75/630753975.db2.gz WGHBBGXDPGAGPG-ZETCQYMHSA-N 1 0 180.255 1.018 20 0 ADADRO CCC(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 127747894 630754088 /nfs/dbraw/zinc/75/40/88/630754088.db2.gz HHTHLANXKDHBLN-SNVBAGLBSA-N 1 0 198.310 1.243 20 0 ADADRO CC[C@@H](CO)[N@@H+]1CCC(C)(C)C1 929750117 630754871 /nfs/dbraw/zinc/75/48/71/630754871.db2.gz RYQWBNVRYBORSV-VIFPVBQESA-N 1 0 171.284 1.489 20 0 ADADRO CCCCC[NH2+]C1(C(N)=O)CCCC1 149453578 630754950 /nfs/dbraw/zinc/75/49/50/630754950.db2.gz OIICUHXPNVKHSG-UHFFFAOYSA-N 1 0 198.310 1.564 20 0 ADADRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCC2)CC1 870853477 630755381 /nfs/dbraw/zinc/75/53/81/630755381.db2.gz IXOQRPCMMKXGGX-AOOOYVTPSA-N 1 0 196.294 1.126 20 0 ADADRO CC1(C)CC[N@H+](CCOC2CC2)C1 929750159 630755702 /nfs/dbraw/zinc/75/57/02/630755702.db2.gz SBHVLKTVHFXJOB-UHFFFAOYSA-N 1 0 183.295 1.897 20 0 ADADRO CC[C@H](CO)[N@@H+]1CCC(C)(C)C1 929750111 630755801 /nfs/dbraw/zinc/75/58/01/630755801.db2.gz RYQWBNVRYBORSV-SECBINFHSA-N 1 0 171.284 1.489 20 0 ADADRO C/C=C/C(=O)NCCC[N@H+](C)C(C)C 221644074 630756654 /nfs/dbraw/zinc/75/66/54/630756654.db2.gz MXZZVPOWTWVAIU-FNORWQNLSA-N 1 0 198.310 1.409 20 0 ADADRO C/C=C\C(=O)NCC(C)(C)[NH+](C)C 211365497 630759196 /nfs/dbraw/zinc/75/91/96/630759196.db2.gz KKOSHYLVCDKMGN-SREVYHEPSA-N 1 0 184.283 1.019 20 0 ADADRO CC[C@H](CO)[N@@H+]1CC[C@H](C)[C@@H]1C 929786662 630760915 /nfs/dbraw/zinc/76/09/15/630760915.db2.gz YQQGOOUPQBIOQI-LPEHRKFASA-N 1 0 171.284 1.488 20 0 ADADRO CC[C@H](CO)[N@@H+]1CC[C@@H](C)[C@H]1C 929786664 630759612 /nfs/dbraw/zinc/75/96/12/630759612.db2.gz YQQGOOUPQBIOQI-OPRDCNLKSA-N 1 0 171.284 1.488 20 0 ADADRO CC(C)[C@H]([NH2+][C@@H](C)CN)C1CC1 324141721 630761731 /nfs/dbraw/zinc/76/17/31/630761731.db2.gz SEFAZUWFDVVTMN-WPRPVWTQSA-N 1 0 170.300 1.358 20 0 ADADRO CCC[C@@H](CC)[NH2+][C@@H](C)CCO 224662119 630760127 /nfs/dbraw/zinc/76/01/27/630760127.db2.gz VWCCSZXLWQPYNO-VHSXEESVSA-N 1 0 173.300 1.926 20 0 ADADRO CCCCn1cc([C@H](C)[NH3+])nn1 167106224 630760228 /nfs/dbraw/zinc/76/02/28/630760228.db2.gz FHLBEAWPDAZTKA-ZETCQYMHSA-N 1 0 168.244 1.098 20 0 ADADRO CC1CC([NH2+]C[C@H](O)c2ccco2)C1 166617549 630760366 /nfs/dbraw/zinc/76/03/66/630760366.db2.gz BIAIVEKSNQHPMQ-RTBKNWGFSA-N 1 0 195.262 1.701 20 0 ADADRO CCCCn1cc([C@@H](C)[NH3+])nn1 167106139 630760654 /nfs/dbraw/zinc/76/06/54/630760654.db2.gz FHLBEAWPDAZTKA-SSDOTTSWSA-N 1 0 168.244 1.098 20 0 ADADRO CC[C@H](CO)[N@@H+]1CC[C@@H](C)[C@@H]1C 929786660 630760695 /nfs/dbraw/zinc/76/06/95/630760695.db2.gz YQQGOOUPQBIOQI-KXUCPTDWSA-N 1 0 171.284 1.488 20 0 ADADRO CC1(C)[C@@H]([NH2+]C/C=C/Cl)C[C@H]1O 232767805 630761112 /nfs/dbraw/zinc/76/11/12/630761112.db2.gz QMUGWZJNOVPKSG-XMYQNILUSA-N 1 0 189.686 1.488 20 0 ADADRO CC[C@H](CO)[N@@H+]1CC[C@H](C)[C@H]1C 929786653 630761263 /nfs/dbraw/zinc/76/12/63/630761263.db2.gz YQQGOOUPQBIOQI-IVZWLZJFSA-N 1 0 171.284 1.488 20 0 ADADRO CCNC(=[NH2+])NCCCC(C)(C)C 313470274 630761677 /nfs/dbraw/zinc/76/16/77/630761677.db2.gz XJAZEADHQQFXIE-UHFFFAOYSA-N 1 0 185.315 1.947 20 0 ADADRO C[C@H](CSC(C)(C)C)[NH2+]CCO 166485099 630761755 /nfs/dbraw/zinc/76/17/55/630761755.db2.gz HETACHLRURPIMX-MRVPVSSYSA-N 1 0 191.340 1.489 20 0 ADADRO CC(C)[C@@H]([NH2+][C@@H](C)CN)C1CC1 324141719 630761801 /nfs/dbraw/zinc/76/18/01/630761801.db2.gz SEFAZUWFDVVTMN-WCBMZHEXSA-N 1 0 170.300 1.358 20 0 ADADRO CC[C@H](C)Cn1cc([C@H](C)[NH3+])nn1 167098622 630761988 /nfs/dbraw/zinc/76/19/88/630761988.db2.gz BLKFVMJHNMVERK-YUMQZZPRSA-N 1 0 182.271 1.344 20 0 ADADRO C[C@@H]1CCN1C(=O)C1([NH+](C)C)CCC1 914156158 630762654 /nfs/dbraw/zinc/76/26/54/630762654.db2.gz SFHVFJIHOLNJNZ-SECBINFHSA-N 1 0 196.294 1.092 20 0 ADADRO C[C@H]1CCN1C(=O)C1([NH+](C)C)CCC1 914156159 630763428 /nfs/dbraw/zinc/76/34/28/630763428.db2.gz SFHVFJIHOLNJNZ-VIFPVBQESA-N 1 0 196.294 1.092 20 0 ADADRO CC/C=C(\C)C(=O)N1CC[NH2+]C[C@@H]1C 212099784 630763977 /nfs/dbraw/zinc/76/39/77/630763977.db2.gz WFHTWOLYGJRAON-CYNRKNSPSA-N 1 0 196.294 1.163 20 0 ADADRO C[C@@H](CCO)[NH2+][C@@H](C)CC(F)(F)F 167932556 630763991 /nfs/dbraw/zinc/76/39/91/630763991.db2.gz GCEXFZYTFFMSTP-BQBZGAKWSA-N 1 0 199.216 1.688 20 0 ADADRO CC/C=C(\C)C(=O)N1CC[NH2+]C[C@H]1C 212099859 630764272 /nfs/dbraw/zinc/76/42/72/630764272.db2.gz WFHTWOLYGJRAON-NAZIUFLLSA-N 1 0 196.294 1.163 20 0 ADADRO CC[NH2+]CC(=O)NCC1(C(C)C)CC1 226371183 630767460 /nfs/dbraw/zinc/76/74/60/630767460.db2.gz XPJTXLNNGGCNOM-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO CCC[N@@H+]1CCC[C@@H](NC(C)=O)[C@H]1C 992948199 630768206 /nfs/dbraw/zinc/76/82/06/630768206.db2.gz MLQXVCKLJZYJHB-MWLCHTKSSA-N 1 0 198.310 1.385 20 0 ADADRO CC1(C)[C@H](O)C[C@H]1[NH2+]C/C=C/Cl 232783205 630768502 /nfs/dbraw/zinc/76/85/02/630768502.db2.gz QMUGWZJNOVPKSG-ATXJSMISSA-N 1 0 189.686 1.488 20 0 ADADRO CCC(=O)N[C@@H]1CCC[N@@H+](CC)[C@H]1C 992930484 630768993 /nfs/dbraw/zinc/76/89/93/630768993.db2.gz ZKYGWIPOENWKBU-VHSXEESVSA-N 1 0 198.310 1.385 20 0 ADADRO CCC(=O)N[C@H]1CCC[N@@H+](CC)[C@H]1C 992930483 630769736 /nfs/dbraw/zinc/76/97/36/630769736.db2.gz ZKYGWIPOENWKBU-UWVGGRQHSA-N 1 0 198.310 1.385 20 0 ADADRO CCC[N@@H+]1CCC[C@@H](NC(C)=O)[C@@H]1C 992948195 630769870 /nfs/dbraw/zinc/76/98/70/630769870.db2.gz MLQXVCKLJZYJHB-GXSJLCMTSA-N 1 0 198.310 1.385 20 0 ADADRO C/C=C\C(=O)N[C@@H](C)CC[NH+](C)C 149608374 630770459 /nfs/dbraw/zinc/77/04/59/630770459.db2.gz FDLPCORQLVXFBB-UDIARPCQSA-N 1 0 184.283 1.019 20 0 ADADRO CCC[N@@H+]1CCC[C@H](NC(C)=O)[C@H]1C 992948196 630770621 /nfs/dbraw/zinc/77/06/21/630770621.db2.gz MLQXVCKLJZYJHB-KOLCDFICSA-N 1 0 198.310 1.385 20 0 ADADRO CCC(=O)N[C@@H]1CCC[N@@H+](CC)[C@@H]1C 992930482 630770695 /nfs/dbraw/zinc/77/06/95/630770695.db2.gz ZKYGWIPOENWKBU-NXEZZACHSA-N 1 0 198.310 1.385 20 0 ADADRO CCC(=O)N[C@H]1CCC[N@@H+](CC)[C@@H]1C 992930485 630771009 /nfs/dbraw/zinc/77/10/09/630771009.db2.gz ZKYGWIPOENWKBU-ZJUUUORDSA-N 1 0 198.310 1.385 20 0 ADADRO CCC[N@@H+]1CCC[C@H](NC(C)=O)[C@@H]1C 992948201 630771022 /nfs/dbraw/zinc/77/10/22/630771022.db2.gz MLQXVCKLJZYJHB-ONGXEEELSA-N 1 0 198.310 1.385 20 0 ADADRO C/C=C\C(=O)NC1CC[NH+](CC)CC1 228155951 630773296 /nfs/dbraw/zinc/77/32/96/630773296.db2.gz CWJATVDNTOVXRF-HYXAFXHYSA-N 1 0 196.294 1.163 20 0 ADADRO C/C=C/C=C\C(=O)NC[C@@H](C)[NH+](C)C 914738028 630774754 /nfs/dbraw/zinc/77/47/54/630774754.db2.gz CLMVEBIDLJESIJ-FSXIPVEJSA-N 1 0 196.294 1.185 20 0 ADADRO Nc1cccc(C[N@H+]2C[C@H]3C[C@H]3C2)c1 213355296 630775062 /nfs/dbraw/zinc/77/50/62/630775062.db2.gz ZAVUUQOFUZHMHN-PHIMTYICSA-N 1 0 188.274 1.721 20 0 ADADRO CC/C=C(\C)C(=O)NC[C@@H](C)[NH+](C)C 914880161 630775159 /nfs/dbraw/zinc/77/51/59/630775159.db2.gz WCMYYTUWQFHPGI-TTZKWOQHSA-N 1 0 198.310 1.409 20 0 ADADRO CC(C)N(C[C@H]1CCC[NH2+]1)C1CC1 232831917 630775217 /nfs/dbraw/zinc/77/52/17/630775217.db2.gz GIAGKQUMVQPGHP-SNVBAGLBSA-N 1 0 182.311 1.611 20 0 ADADRO CNC(=O)CC[NH+]1CCCCCCC1 914787008 630775682 /nfs/dbraw/zinc/77/56/82/630775682.db2.gz HLWZXEDVUWZRAB-UHFFFAOYSA-N 1 0 198.310 1.389 20 0 ADADRO C/C=C/C=C/C(=O)NC[C@@H](C)[NH+](C)C 914738029 630775851 /nfs/dbraw/zinc/77/58/51/630775851.db2.gz CLMVEBIDLJESIJ-YEHZPGOWSA-N 1 0 196.294 1.185 20 0 ADADRO CC/C=C(/C)C(=O)NC[C@@H](C)[NH+](C)C 914880163 630775915 /nfs/dbraw/zinc/77/59/15/630775915.db2.gz WCMYYTUWQFHPGI-UJICNMFASA-N 1 0 198.310 1.409 20 0 ADADRO CC(C)CN(C)C(=O)C[NH+]1CCCC1 915216957 630777067 /nfs/dbraw/zinc/77/70/67/630777067.db2.gz QABCUJKBWHFIJV-UHFFFAOYSA-N 1 0 198.310 1.197 20 0 ADADRO CC[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 915220038 630777550 /nfs/dbraw/zinc/77/75/50/630777550.db2.gz OELRHMUZUUFGTO-UWVGGRQHSA-N 1 0 197.278 1.424 20 0 ADADRO C[C@@H](CN)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 235101353 630777588 /nfs/dbraw/zinc/77/75/88/630777588.db2.gz ZKANSHMXNULVES-RCWTZXSCSA-N 1 0 184.327 1.748 20 0 ADADRO CC[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 915220040 630777869 /nfs/dbraw/zinc/77/78/69/630777869.db2.gz OELRHMUZUUFGTO-ZJUUUORDSA-N 1 0 197.278 1.424 20 0 ADADRO CC[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 915220037 630777889 /nfs/dbraw/zinc/77/78/89/630777889.db2.gz OELRHMUZUUFGTO-NXEZZACHSA-N 1 0 197.278 1.424 20 0 ADADRO CCCC[NH2+]C[C@@H](COC)OC 232978084 630778030 /nfs/dbraw/zinc/77/80/30/630778030.db2.gz XCOZUPHYHRARBQ-VIFPVBQESA-N 1 0 175.272 1.038 20 0 ADADRO CCCN(CC)C(=O)C[NH+]1CCCC1 915216702 630778278 /nfs/dbraw/zinc/77/82/78/630778278.db2.gz LBITURBHHVNESM-UHFFFAOYSA-N 1 0 198.310 1.341 20 0 ADADRO CCN(C[C@H]1CCC[NH2+]1)C1CCC1 233463610 630778539 /nfs/dbraw/zinc/77/85/39/630778539.db2.gz HQDLYOTUCJTIEU-SNVBAGLBSA-N 1 0 182.311 1.613 20 0 ADADRO CC[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 915220039 630778788 /nfs/dbraw/zinc/77/87/88/630778788.db2.gz OELRHMUZUUFGTO-VHSXEESVSA-N 1 0 197.278 1.424 20 0 ADADRO C[NH+](C)CCNC(=O)C=C1CCCC1 244224056 630779571 /nfs/dbraw/zinc/77/95/71/630779571.db2.gz WBNYRSBBBABFAC-UHFFFAOYSA-N 1 0 196.294 1.165 20 0 ADADRO CC1(C)CCC[N@@H+]([C@@H]2CCOC2=O)C1 732984217 630780128 /nfs/dbraw/zinc/78/01/28/630780128.db2.gz AZTISPUKUNBPAP-SECBINFHSA-N 1 0 197.278 1.424 20 0 ADADRO CCC(=O)NC[C@H]1CCCCC[NH2+]1 214015993 630781358 /nfs/dbraw/zinc/78/13/58/630781358.db2.gz JYJIBJCMKYZSKI-SECBINFHSA-N 1 0 184.283 1.045 20 0 ADADRO CCC(=O)CCC[N@@H+]1CC[C@@H](OC)C1 232862726 630780860 /nfs/dbraw/zinc/78/08/60/630780860.db2.gz MNSBSYQVDFPYOO-LLVKDONJSA-N 1 0 199.294 1.466 20 0 ADADRO CC1(C)CCC[N@@H+]([C@H]2CCOC2=O)C1 732984218 630780877 /nfs/dbraw/zinc/78/08/77/630780877.db2.gz AZTISPUKUNBPAP-VIFPVBQESA-N 1 0 197.278 1.424 20 0 ADADRO CC[C@H]([NH2+][C@@H](C)CN)C1CC1 324512911 630780894 /nfs/dbraw/zinc/78/08/94/630780894.db2.gz UQVJQVRUVVRFEN-CBAPKCEASA-N 1 0 156.273 1.112 20 0 ADADRO CC[C@@H]([NH2+][C@@H](C)CN)C1CC1 324512912 630781550 /nfs/dbraw/zinc/78/15/50/630781550.db2.gz UQVJQVRUVVRFEN-IONNQARKSA-N 1 0 156.273 1.112 20 0 ADADRO O=C(CC[NH+]1CCCCC1)C1CC1 149775950 630782364 /nfs/dbraw/zinc/78/23/64/630782364.db2.gz NOVFODVJLBLSCH-UHFFFAOYSA-N 1 0 181.279 1.842 20 0 ADADRO CCC(=O)OCC[C@H]1CCCC[N@@H+]1C 916547797 630782729 /nfs/dbraw/zinc/78/27/29/630782729.db2.gz FZVYVYMJACRSQH-SNVBAGLBSA-N 1 0 199.294 1.814 20 0 ADADRO CCC(=O)OCC[C@@H]1CCCC[N@@H+]1C 916547778 630783637 /nfs/dbraw/zinc/78/36/37/630783637.db2.gz FZVYVYMJACRSQH-JTQLQIEISA-N 1 0 199.294 1.814 20 0 ADADRO CCNC(=O)C[NH+]1CCCCCCC1 916613677 630786451 /nfs/dbraw/zinc/78/64/51/630786451.db2.gz YGSPMUDLBVPTRE-UHFFFAOYSA-N 1 0 198.310 1.389 20 0 ADADRO C[N@@H+]1CCC[C@@H]1CSc1ncc[nH]1 917109444 630788340 /nfs/dbraw/zinc/78/83/40/630788340.db2.gz FHLQMEXNLBEJED-MRVPVSSYSA-N 1 0 197.307 1.596 20 0 ADADRO C[N@@H+]1CCC[C@H]1CSc1ncc[nH]1 917109447 630789539 /nfs/dbraw/zinc/78/95/39/630789539.db2.gz FHLQMEXNLBEJED-QMMMGPOBSA-N 1 0 197.307 1.596 20 0 ADADRO C[NH2+]CCNCc1ccc(Cl)nc1 149984293 630788544 /nfs/dbraw/zinc/78/85/44/630788544.db2.gz CODZGCADNPQPKJ-UHFFFAOYSA-N 1 0 199.685 1.044 20 0 ADADRO CC[N@H+](CC(=O)N1CCCC1)C(C)C 917088336 630789442 /nfs/dbraw/zinc/78/94/42/630789442.db2.gz GEGHHDXDHPEMNQ-UHFFFAOYSA-N 1 0 198.310 1.339 20 0 ADADRO CC[N@H+](CC(=O)NCC1CC1)C(C)C 917089818 630789990 /nfs/dbraw/zinc/78/99/90/630789990.db2.gz ZRDFVZZFZNHCPU-UHFFFAOYSA-N 1 0 198.310 1.243 20 0 ADADRO C[NH+](C)CCCNC(=O)C=C1CCC1 755034459 630790317 /nfs/dbraw/zinc/79/03/17/630790317.db2.gz UNBDZLJNNZZVQH-UHFFFAOYSA-N 1 0 196.294 1.165 20 0 ADADRO CC(C)CCC[NH2+]Cc1nncn1C 150096820 630790536 /nfs/dbraw/zinc/79/05/36/630790536.db2.gz HCIZMAQEEUPJDV-UHFFFAOYSA-N 1 0 196.298 1.341 20 0 ADADRO C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2ccccc2)N1 150091838 630790670 /nfs/dbraw/zinc/79/06/70/630790670.db2.gz RIRLOSAVSUPMQW-YUSALJHKSA-N 1 0 190.290 1.827 20 0 ADADRO C[C@@H]1CN[C@H](c2ccccc2)[C@@H]([NH3+])C1 150081571 630791450 /nfs/dbraw/zinc/79/14/50/630791450.db2.gz FYXJYIVKIOJESY-ZMLRMANQSA-N 1 0 190.290 1.684 20 0 ADADRO CC(=O)CSC[C@@H]1CCC[N@H+]1C 917131400 630792024 /nfs/dbraw/zinc/79/20/24/630792024.db2.gz VLARMVFRUMLBJL-VIFPVBQESA-N 1 0 187.308 1.403 20 0 ADADRO CCC1CC[NH+]([C@H]2CCOC2=O)CC1 917171692 630792377 /nfs/dbraw/zinc/79/23/77/630792377.db2.gz JRMNUYKTHFZBRP-JTQLQIEISA-N 1 0 197.278 1.424 20 0 ADADRO C[NH+](C)CCSCCOC1CC1 917194022 630792449 /nfs/dbraw/zinc/79/24/49/630792449.db2.gz SYYBWWSCUULQQE-UHFFFAOYSA-N 1 0 189.324 1.460 20 0 ADADRO CCC[C@@H](CC)[NH2+]Cc1nncn1C 150114784 630792510 /nfs/dbraw/zinc/79/25/10/630792510.db2.gz UWTSIVITVODVEZ-SECBINFHSA-N 1 0 196.298 1.483 20 0 ADADRO CC(=O)CSC[C@H]1CCC[N@H+]1C 917131395 630792557 /nfs/dbraw/zinc/79/25/57/630792557.db2.gz VLARMVFRUMLBJL-SECBINFHSA-N 1 0 187.308 1.403 20 0 ADADRO CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 917171693 630793872 /nfs/dbraw/zinc/79/38/72/630793872.db2.gz JRMNUYKTHFZBRP-SNVBAGLBSA-N 1 0 197.278 1.424 20 0 ADADRO CC[C@@H](CO)SCC[NH+](C)C 917194426 630794205 /nfs/dbraw/zinc/79/42/05/630794205.db2.gz WVVOLDSGRIWFKC-QMMMGPOBSA-N 1 0 177.313 1.052 20 0 ADADRO CC[C@H](CO)SCC[NH+](C)C 917194425 630795004 /nfs/dbraw/zinc/79/50/04/630795004.db2.gz WVVOLDSGRIWFKC-MRVPVSSYSA-N 1 0 177.313 1.052 20 0 ADADRO CCC[C@H](CC)[NH2+]Cc1nncn1C 150115005 630795718 /nfs/dbraw/zinc/79/57/18/630795718.db2.gz UWTSIVITVODVEZ-VIFPVBQESA-N 1 0 196.298 1.483 20 0 ADADRO C/C(=C/C(=O)NCC[NH+](C)C)C1CC1 917526722 630795826 /nfs/dbraw/zinc/79/58/26/630795826.db2.gz SPOUYLJKYUVHJE-HJWRWDBZSA-N 1 0 196.294 1.021 20 0 ADADRO C[NH+](C)CCCCC(=O)N1CC=CC1 910010439 630796002 /nfs/dbraw/zinc/79/60/02/630796002.db2.gz SFZPVVXUZDEIQN-UHFFFAOYSA-N 1 0 196.294 1.117 20 0 ADADRO 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1.251 20 0 ADADRO COC(=O)/C=C(/C)C[N@H+](C)CC1CC1 929289465 630873956 /nfs/dbraw/zinc/87/39/56/630873956.db2.gz CLFIQYRHJAQEIV-TWGQIWQCSA-N 1 0 197.278 1.448 20 0 ADADRO Cc1ncoc1C[NH2+][C@@H]1COC[C@H]1C 922638299 630873977 /nfs/dbraw/zinc/87/39/77/630873977.db2.gz HZQRWVHPYZALBB-VXNVDRBHSA-N 1 0 196.250 1.108 20 0 ADADRO c1cc(C[NH2+]C[C@H]2CCCOC2)co1 62103704 630873994 /nfs/dbraw/zinc/87/39/94/630873994.db2.gz AZVGQTAYEIWRGA-SNVBAGLBSA-N 1 0 195.262 1.796 20 0 ADADRO CC(C)[C@H](O)C[NH2+]C[C@H]1CCC=CO1 229973856 630874051 /nfs/dbraw/zinc/87/40/51/630874051.db2.gz YGMGGZCFZAANOQ-GHMZBOCLSA-N 1 0 199.294 1.286 20 0 ADADRO C[C@H](CO)[NH2+][C@H]1CCC(C)(C)C1 87770005 524567489 /nfs/dbraw/zinc/56/74/89/524567489.db2.gz VEBIHZIJIPUQSF-BDAKNGLRSA-N 1 0 171.284 1.536 20 0 ADADRO CCC[C@H](CC)[NH2+][C@@H]1CCN(C)C1 61989839 630874383 /nfs/dbraw/zinc/87/43/83/630874383.db2.gz GPBNNGBNUHHRHZ-WDEREUQCSA-N 1 0 184.327 1.859 20 0 ADADRO CCC[C@H](CC)[NH2+][C@H]1CCN(C)C1 61989844 630874409 /nfs/dbraw/zinc/87/44/09/630874409.db2.gz GPBNNGBNUHHRHZ-QWRGUYRKSA-N 1 0 184.327 1.859 20 0 ADADRO CC/C=C(/C)C(=O)N[C@H](C)C[C@H](C)[NH3+] 320984785 630874410 /nfs/dbraw/zinc/87/44/10/630874410.db2.gz XYYKDPFLKSEPPQ-BWAOMENWSA-N 1 0 198.310 1.585 20 0 ADADRO CC[C@H](O)C[NH2+]C[C@@H]1CCC=CO1 229970647 630874463 /nfs/dbraw/zinc/87/44/63/630874463.db2.gz LXPSGHRSFLZLQG-UWVGGRQHSA-N 1 0 185.267 1.040 20 0 ADADRO Cc1ccnc(NCCC[NH+](C)C)n1 61858894 630874572 /nfs/dbraw/zinc/87/45/72/630874572.db2.gz PHXXCIAIWRBBDA-UHFFFAOYSA-N 1 0 194.282 1.149 20 0 ADADRO COCCC[NH2+]Cc1ccc(C)nc1 62053218 630874578 /nfs/dbraw/zinc/87/45/78/630874578.db2.gz MAWDOBCVQVTWOK-UHFFFAOYSA-N 1 0 194.278 1.516 20 0 ADADRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc[nH]n1 922511517 630874650 /nfs/dbraw/zinc/87/46/50/630874650.db2.gz NRJSFINVOUAXBZ-CZULRBLNSA-N 1 0 191.278 1.544 20 0 ADADRO Cc1ncoc1C[NH2+][C@H]1COC[C@H]1C 922638294 630874684 /nfs/dbraw/zinc/87/46/84/630874684.db2.gz HZQRWVHPYZALBB-APPZFPTMSA-N 1 0 196.250 1.108 20 0 ADADRO CC1(CNC(=O)C[C@@H]([NH3+])C2CC2)CC1 230063226 630874717 /nfs/dbraw/zinc/87/47/17/630874717.db2.gz YCBBBEZZZVYTIC-SECBINFHSA-N 1 0 196.294 1.030 20 0 ADADRO CC[C@@H](O)C[NH2+]C[C@H]1CCC=CO1 229970650 630874721 /nfs/dbraw/zinc/87/47/21/630874721.db2.gz LXPSGHRSFLZLQG-NXEZZACHSA-N 1 0 185.267 1.040 20 0 ADADRO COC(=O)/C=C(\C)C[N@H+](C)CC1CC1 929289464 630874808 /nfs/dbraw/zinc/87/48/08/630874808.db2.gz CLFIQYRHJAQEIV-RMKNXTFCSA-N 1 0 197.278 1.448 20 0 ADADRO Cc1ncoc1C[NH2+][C@H]1COC[C@@H]1C 922638296 630874833 /nfs/dbraw/zinc/87/48/33/630874833.db2.gz HZQRWVHPYZALBB-CBAPKCEASA-N 1 0 196.250 1.108 20 0 ADADRO CCC1CC[NH+]([C@@H](CC)CO)CC1 929299115 630875049 /nfs/dbraw/zinc/87/50/49/630875049.db2.gz WTPYRIGASYJZQA-NSHDSACASA-N 1 0 185.311 1.879 20 0 ADADRO CCC[C@@H](CC)[NH2+][C@@H]1CCN(C)C1 61989837 630875075 /nfs/dbraw/zinc/87/50/75/630875075.db2.gz GPBNNGBNUHHRHZ-GHMZBOCLSA-N 1 0 184.327 1.859 20 0 ADADRO CCOCC[NH2+]Cc1ccc(C)nc1 62053095 630875199 /nfs/dbraw/zinc/87/51/99/630875199.db2.gz KQYMPWMUKSCLNN-UHFFFAOYSA-N 1 0 194.278 1.516 20 0 ADADRO CC1(C)CCN(C[C@H]2CCC[NH2+]2)CC1 61820116 630875278 /nfs/dbraw/zinc/87/52/78/630875278.db2.gz AQSGFLFGPSLFKR-LLVKDONJSA-N 1 0 196.338 1.860 20 0 ADADRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cnc[nH]1 922509253 630875445 /nfs/dbraw/zinc/87/54/45/630875445.db2.gz DHIDGWGZCDXYCS-CZULRBLNSA-N 1 0 191.278 1.544 20 0 ADADRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ncc[nH]1 922511530 630875757 /nfs/dbraw/zinc/87/57/57/630875757.db2.gz NVQUCLRMBUKVKC-DOLQZWNJSA-N 1 0 191.278 1.544 20 0 ADADRO Cc1ncoc1C[NH2+][C@@H]1COC[C@@H]1C 922638298 630875889 /nfs/dbraw/zinc/87/58/89/630875889.db2.gz HZQRWVHPYZALBB-IONNQARKSA-N 1 0 196.250 1.108 20 0 ADADRO CC(C)C[NH2+]C[C@H]1COC(C)(C)O1 230206380 630875997 /nfs/dbraw/zinc/87/59/97/630875997.db2.gz AHJAYQSTCCFDBA-VIFPVBQESA-N 1 0 187.283 1.384 20 0 ADADRO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)C1CC1 230211661 630876061 /nfs/dbraw/zinc/87/60/61/630876061.db2.gz KCAXETOKWZQEJG-WPRPVWTQSA-N 1 0 199.294 1.526 20 0 ADADRO CCCC[NH2+][C@H](C)CC[S@](C)=O 230088110 630876151 /nfs/dbraw/zinc/87/61/51/630876151.db2.gz LHLIWPOGMGGZRO-SKDRFNHKSA-N 1 0 191.340 1.533 20 0 ADADRO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)C1CC1 230211659 630876165 /nfs/dbraw/zinc/87/61/65/630876165.db2.gz KCAXETOKWZQEJG-SCZZXKLOSA-N 1 0 199.294 1.526 20 0 ADADRO CCCC[NH2+]C[C@](C)(O)CCOC 230205058 630876220 /nfs/dbraw/zinc/87/62/20/630876220.db2.gz ZGJVQRBIZZJOBP-SNVBAGLBSA-N 1 0 189.299 1.164 20 0 ADADRO CCCC[NH2+][C@@H](C)CC[S@@](C)=O 230088097 630876296 /nfs/dbraw/zinc/87/62/96/630876296.db2.gz LHLIWPOGMGGZRO-JOYOIKCWSA-N 1 0 191.340 1.533 20 0 ADADRO CCC[C@@H](O)CC[NH2+]CC(C)C 922824929 630876304 /nfs/dbraw/zinc/87/63/04/630876304.db2.gz KMFLGGGQSHBJPM-SNVBAGLBSA-N 1 0 173.300 1.783 20 0 ADADRO CCC[C@@H](O)CC[NH2+]Cc1ccco1 922826337 630876309 /nfs/dbraw/zinc/87/63/09/630876309.db2.gz YMZQZFWZNSQJQM-SNVBAGLBSA-N 1 0 197.278 1.920 20 0 ADADRO CCCC1(CNC(=[NH2+])NC)CC1 230144884 630876397 /nfs/dbraw/zinc/87/63/97/630876397.db2.gz YLKJJSBGLOOGAL-UHFFFAOYSA-N 1 0 169.272 1.310 20 0 ADADRO CCCNC(=[NH2+])NC[C@H]1CC[C@@H](C)C1 230430093 630876431 /nfs/dbraw/zinc/87/64/31/630876431.db2.gz NYHLCADYRMLGFL-ZJUUUORDSA-N 1 0 197.326 1.947 20 0 ADADRO CCC[C@@H](O)CC[NH2+]Cc1cc[nH]n1 922825597 630876547 /nfs/dbraw/zinc/87/65/47/630876547.db2.gz RBKAEWAKMDQEEA-SNVBAGLBSA-N 1 0 197.282 1.050 20 0 ADADRO CC[NH+](CC)C[C@@H](O)c1ccccn1 62356216 630876515 /nfs/dbraw/zinc/87/65/15/630876515.db2.gz MKXYEENNJASSGA-LLVKDONJSA-N 1 0 194.278 1.457 20 0 ADADRO C[C@H]1CC[C@H](C[NH2+]Cc2cnc[nH]2)C1 230404748 630876607 /nfs/dbraw/zinc/87/66/07/630876607.db2.gz IKYXEXSPNWBCGI-UWVGGRQHSA-N 1 0 193.294 1.936 20 0 ADADRO Cc1occc1C[NH2+][C@H](C)[C@@H](C)O 321298871 630876814 /nfs/dbraw/zinc/87/68/14/630876814.db2.gz VGNXAMKNBSZKFE-HTQZYQBOSA-N 1 0 183.251 1.447 20 0 ADADRO CCC[C@H](O)CC[NH2+]Cc1cc[nH]c1 922822147 630876853 /nfs/dbraw/zinc/87/68/53/630876853.db2.gz QOEGHZXEQFUXFN-NSHDSACASA-N 1 0 196.294 1.655 20 0 ADADRO CCC[C@@H](O)CC[NH2+]Cc1ncc[nH]1 922826343 630876909 /nfs/dbraw/zinc/87/69/09/630876909.db2.gz XWYQUIINVSTDRT-SECBINFHSA-N 1 0 197.282 1.050 20 0 ADADRO CCC[C@@H](O)CC[NH2+][C@H](C)C1CC1 922818823 630876933 /nfs/dbraw/zinc/87/69/33/630876933.db2.gz DQGSVOANGXRTQG-MWLCHTKSSA-N 1 0 185.311 1.926 20 0 ADADRO C1COC2(CC(C[NH2+]CC3CC3)C2)O1 922799938 630876971 /nfs/dbraw/zinc/87/69/71/630876971.db2.gz SPUXRYXTPIUCBU-UHFFFAOYSA-N 1 0 197.278 1.139 20 0 ADADRO CC(C)NC(=[NH2+])NC[C@H]1CC[C@@H](C)C1 230430058 630877048 /nfs/dbraw/zinc/87/70/48/630877048.db2.gz WGXUVXQGKLUGMH-ZJUUUORDSA-N 1 0 197.326 1.945 20 0 ADADRO C[C@@H]1CC[C@H](C[NH2+]Cc2cnc[nH]2)C1 230404746 630877099 /nfs/dbraw/zinc/87/70/99/630877099.db2.gz IKYXEXSPNWBCGI-ZJUUUORDSA-N 1 0 193.294 1.936 20 0 ADADRO CCC[C@@H](O)CC[NH2+]CC1(C)CC1 922819278 630877184 /nfs/dbraw/zinc/87/71/84/630877184.db2.gz AJCQNJBCNAGAGR-SNVBAGLBSA-N 1 0 185.311 1.927 20 0 ADADRO CCC[C@H](O)CC[NH2+][C@@H](C)C1CC1 922818824 630877271 /nfs/dbraw/zinc/87/72/71/630877271.db2.gz DQGSVOANGXRTQG-ONGXEEELSA-N 1 0 185.311 1.926 20 0 ADADRO CC[C@H](C)[NH2+]C[C@H]1COC(C)(C)O1 230212466 630877318 /nfs/dbraw/zinc/87/73/18/630877318.db2.gz DRTIHJWYDIYDMH-IUCAKERBSA-N 1 0 187.283 1.526 20 0 ADADRO CCCC[NH2+][C@@H](C)CC[S@](C)=O 230088107 630877366 /nfs/dbraw/zinc/87/73/66/630877366.db2.gz LHLIWPOGMGGZRO-CABZTGNLSA-N 1 0 191.340 1.533 20 0 ADADRO CCC[C@H](O)CC[NH2+]CC1(C)CC1 922819277 630877508 /nfs/dbraw/zinc/87/75/08/630877508.db2.gz AJCQNJBCNAGAGR-JTQLQIEISA-N 1 0 185.311 1.927 20 0 ADADRO CCCN(CC)c1cc(NC)ncn1 87809063 630877516 /nfs/dbraw/zinc/87/75/16/630877516.db2.gz GMOYUYWGNGRPCZ-UHFFFAOYSA-N 1 0 194.282 1.755 20 0 ADADRO CCC[C@H](O)CC[NH2+]Cc1cc[nH]n1 922825596 630877520 /nfs/dbraw/zinc/87/75/20/630877520.db2.gz RBKAEWAKMDQEEA-JTQLQIEISA-N 1 0 197.282 1.050 20 0 ADADRO CC1(C)OC[C@H](C[NH2+]CC2CCC2)O1 230207422 630878839 /nfs/dbraw/zinc/87/88/39/630878839.db2.gz ZEGVLPQBOUBNFN-JTQLQIEISA-N 1 0 199.294 1.528 20 0 ADADRO CCC1(CNC(=[NH2+])NC)CCCC1 230169682 630877553 /nfs/dbraw/zinc/87/75/53/630877553.db2.gz QNICVLDAYBITQP-UHFFFAOYSA-N 1 0 183.299 1.701 20 0 ADADRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cnc[nH]2)C1 230404741 630877585 /nfs/dbraw/zinc/87/75/85/630877585.db2.gz IKYXEXSPNWBCGI-NXEZZACHSA-N 1 0 193.294 1.936 20 0 ADADRO CCC[C@@H](O)CC[NH2+][C@@H](C)C1CC1 922818821 630877597 /nfs/dbraw/zinc/87/75/97/630877597.db2.gz DQGSVOANGXRTQG-GXSJLCMTSA-N 1 0 185.311 1.926 20 0 ADADRO CCC[C@@H](O)CC[NH2+]Cc1cnc[nH]1 922819369 630877603 /nfs/dbraw/zinc/87/76/03/630877603.db2.gz BDICTKLBHQYHRQ-SNVBAGLBSA-N 1 0 197.282 1.050 20 0 ADADRO CCC[C@H](O)CC[NH2+]CC(C)C 922824928 630877616 /nfs/dbraw/zinc/87/76/16/630877616.db2.gz KMFLGGGQSHBJPM-JTQLQIEISA-N 1 0 173.300 1.783 20 0 ADADRO CCN(CCC[NH+](C)C)C(=O)OC 230420928 630877639 /nfs/dbraw/zinc/87/76/39/630877639.db2.gz VFJWBWVCRSARCH-UHFFFAOYSA-N 1 0 188.271 1.026 20 0 ADADRO CC(C)C[NH2+]CC1CC2(C1)OCCO2 922798861 630877677 /nfs/dbraw/zinc/87/76/77/630877677.db2.gz NAPVRGFOZJPBTE-UHFFFAOYSA-N 1 0 199.294 1.385 20 0 ADADRO CCCNC(=[NH2+])NC[C@@H]1CC[C@@H](C)C1 230430089 630877693 /nfs/dbraw/zinc/87/76/93/630877693.db2.gz NYHLCADYRMLGFL-NXEZZACHSA-N 1 0 197.326 1.947 20 0 ADADRO Cc1occc1C[NH2+][C@@H](C)[C@H](C)O 321298879 630877772 /nfs/dbraw/zinc/87/77/72/630877772.db2.gz VGNXAMKNBSZKFE-YUMQZZPRSA-N 1 0 183.251 1.447 20 0 ADADRO CCC[C@@H](O)CC[NH2+]Cc1cc[nH]c1 922822145 630877786 /nfs/dbraw/zinc/87/77/86/630877786.db2.gz QOEGHZXEQFUXFN-LLVKDONJSA-N 1 0 196.294 1.655 20 0 ADADRO CCC[C@H](O)CC[NH2+]Cc1cnc[nH]1 922819367 630877794 /nfs/dbraw/zinc/87/77/94/630877794.db2.gz BDICTKLBHQYHRQ-JTQLQIEISA-N 1 0 197.282 1.050 20 0 ADADRO CCC[C@H](O)CC[NH2+]Cc1ncc[nH]1 922826345 630877821 /nfs/dbraw/zinc/87/78/21/630877821.db2.gz XWYQUIINVSTDRT-VIFPVBQESA-N 1 0 197.282 1.050 20 0 ADADRO CCC[C@H](O)CC[NH2+]Cc1ccco1 922826335 630878039 /nfs/dbraw/zinc/87/80/39/630878039.db2.gz YMZQZFWZNSQJQM-JTQLQIEISA-N 1 0 197.278 1.920 20 0 ADADRO 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/nfs/dbraw/zinc/03/49/74/631034974.db2.gz GDLVYLFIPULEAL-RNFRBKRXSA-N 1 0 183.255 1.827 20 0 ADADRO Cc1cccc2c1[C@@H]([NH2+]CCO)CC2 924569532 631035050 /nfs/dbraw/zinc/03/50/50/631035050.db2.gz JCQXIWJRSPANMR-NSHDSACASA-N 1 0 191.274 1.564 20 0 ADADRO C[C@H]1C[C@@H]([NH2+]C2CC2)c2ncnn21 924532816 631035109 /nfs/dbraw/zinc/03/51/09/631035109.db2.gz UVUJDCVDUCQTHE-POYBYMJQSA-N 1 0 178.239 1.036 20 0 ADADRO COCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 924537577 631035168 /nfs/dbraw/zinc/03/51/68/631035168.db2.gz KNUHDWNGUHITIM-QMMMGPOBSA-N 1 0 196.250 1.084 20 0 ADADRO CCC(CC)[NH2+][C@H](C)c1cnnn1C 924534551 631035182 /nfs/dbraw/zinc/03/51/82/631035182.db2.gz MMBSXIHVWGOAEC-MRVPVSSYSA-N 1 0 196.298 1.654 20 0 ADADRO CCCCC[NH2+][C@H]1C(=O)NCC1(C)C 924543278 631035208 /nfs/dbraw/zinc/03/52/08/631035208.db2.gz QRCWDWINWVPTRV-VIFPVBQESA-N 1 0 198.310 1.291 20 0 ADADRO CC(C)C[NH2+][C@H](C)c1cnn(C)n1 924532216 631035216 /nfs/dbraw/zinc/03/52/16/631035216.db2.gz SNYWQSFZWZNJIU-MRVPVSSYSA-N 1 0 182.271 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/nfs/dbraw/zinc/03/54/25/631035425.db2.gz VGCVMYCZSVQAAR-MRVPVSSYSA-N 1 0 194.282 1.408 20 0 ADADRO CC(C)CC[NH2+][C@H](C)c1cnn(C)n1 924540134 631035446 /nfs/dbraw/zinc/03/54/46/631035446.db2.gz VZSYSYIFERXYEF-SECBINFHSA-N 1 0 196.298 1.512 20 0 ADADRO C[C@H]([NH2+]C1CCCC1)c1cnn(C)n1 924535667 631035508 /nfs/dbraw/zinc/03/55/08/631035508.db2.gz SCTSGTZHWGFOSQ-QMMMGPOBSA-N 1 0 194.282 1.408 20 0 ADADRO CCC(CC)[NH2+][C@H](C)c1cnn(C)n1 924535750 631035537 /nfs/dbraw/zinc/03/55/37/631035537.db2.gz STFHSTCJYSFPJU-MRVPVSSYSA-N 1 0 196.298 1.654 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2ncnn21 924532813 631035546 /nfs/dbraw/zinc/03/55/46/631035546.db2.gz UVUJDCVDUCQTHE-HTRCEHHLSA-N 1 0 178.239 1.036 20 0 ADADRO CC(C)CC[NH2+][C@@H](C)c1cnn(C)n1 924540136 631035692 /nfs/dbraw/zinc/03/56/92/631035692.db2.gz VZSYSYIFERXYEF-VIFPVBQESA-N 1 0 196.298 1.512 20 0 ADADRO CC[C@H](C)[NH2+][C@H](C)c1nonc1C 924537252 631035739 /nfs/dbraw/zinc/03/57/39/631035739.db2.gz GDLVYLFIPULEAL-NKWVEPMBSA-N 1 0 183.255 1.827 20 0 ADADRO CCCCC[NH2+][C@@H]1C(=O)NCC1(C)C 924543277 631035896 /nfs/dbraw/zinc/03/58/96/631035896.db2.gz QRCWDWINWVPTRV-SECBINFHSA-N 1 0 198.310 1.291 20 0 ADADRO CC[C@@H](C)[NH2+][C@H](C)c1cc(CO)on1 924538638 631035927 /nfs/dbraw/zinc/03/59/27/631035927.db2.gz YLEPBMLYCYHLPX-HTQZYQBOSA-N 1 0 198.266 1.616 20 0 ADADRO CCCCC[NH2+][C@@H](C)c1cnnn1C 924541370 631035943 /nfs/dbraw/zinc/03/59/43/631035943.db2.gz IGYPGPTVDFJBNH-VIFPVBQESA-N 1 0 196.298 1.656 20 0 ADADRO CCCCC[NH2+][C@H](C)c1cnnn1C 924541369 631036086 /nfs/dbraw/zinc/03/60/86/631036086.db2.gz IGYPGPTVDFJBNH-SECBINFHSA-N 1 0 196.298 1.656 20 0 ADADRO CCCCC[NH2+][C@H](C)c1cnn(C)n1 924542345 631036099 /nfs/dbraw/zinc/03/60/99/631036099.db2.gz KZPRAJIUTJDDRK-SECBINFHSA-N 1 0 196.298 1.656 20 0 ADADRO CC[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 924537087 631036172 /nfs/dbraw/zinc/03/61/72/631036172.db2.gz DMVSSFLNWQZUIF-HTQZYQBOSA-N 1 0 182.271 1.264 20 0 ADADRO CC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)n1 924537089 631036256 /nfs/dbraw/zinc/03/62/56/631036256.db2.gz DMVSSFLNWQZUIF-SFYZADRCSA-N 1 0 182.271 1.264 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](C)c1nonc1C 924537251 631036300 /nfs/dbraw/zinc/03/63/00/631036300.db2.gz GDLVYLFIPULEAL-BQBZGAKWSA-N 1 0 183.255 1.827 20 0 ADADRO C[C@@H]([NH2+]C1CCCC1)c1cnn(C)n1 924535666 631036322 /nfs/dbraw/zinc/03/63/22/631036322.db2.gz SCTSGTZHWGFOSQ-MRVPVSSYSA-N 1 0 194.282 1.408 20 0 ADADRO COc1cc([C@@H](C)[NH2+]CC(C)C)on1 924532973 631036405 /nfs/dbraw/zinc/03/64/05/631036405.db2.gz ZTDKGYVROHDFEJ-MRVPVSSYSA-N 1 0 198.266 1.990 20 0 ADADRO CC(C)CC[NH2+][C@H](C)c1cnnn1C 924538234 631036397 /nfs/dbraw/zinc/03/63/97/631036397.db2.gz GZRBUXUCVJVAMK-SECBINFHSA-N 1 0 196.298 1.512 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 924537090 631036418 /nfs/dbraw/zinc/03/64/18/631036418.db2.gz DMVSSFLNWQZUIF-YUMQZZPRSA-N 1 0 182.271 1.264 20 0 ADADRO Cc1cccc2c1[C@H]([NH2+]CCO)CC2 924569527 631036453 /nfs/dbraw/zinc/03/64/53/631036453.db2.gz JCQXIWJRSPANMR-LLVKDONJSA-N 1 0 191.274 1.564 20 0 ADADRO C[C@H]([NH2+]C1CCCC1)c1cnnn1C 924535951 631036461 /nfs/dbraw/zinc/03/64/61/631036461.db2.gz VGCVMYCZSVQAAR-QMMMGPOBSA-N 1 0 194.282 1.408 20 0 ADADRO CCCC[NH2+][C@H](C)c1cnnn1C 924532222 631036468 /nfs/dbraw/zinc/03/64/68/631036468.db2.gz SRZZVCBMQWESPJ-MRVPVSSYSA-N 1 0 182.271 1.266 20 0 ADADRO CC[C@H](C)[NH2+][C@@H](C)c1cc(CO)on1 924538641 631036478 /nfs/dbraw/zinc/03/64/78/631036478.db2.gz YLEPBMLYCYHLPX-YUMQZZPRSA-N 1 0 198.266 1.616 20 0 ADADRO COCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 924537576 631036536 /nfs/dbraw/zinc/03/65/36/631036536.db2.gz KNUHDWNGUHITIM-MRVPVSSYSA-N 1 0 196.250 1.084 20 0 ADADRO COc1cc([C@H](C)[NH2+]CC(C)C)on1 924532974 631036572 /nfs/dbraw/zinc/03/65/72/631036572.db2.gz ZTDKGYVROHDFEJ-QMMMGPOBSA-N 1 0 198.266 1.990 20 0 ADADRO CC(C)C[NH2+][C@@H](C)c1cnn(C)n1 924532217 631036590 /nfs/dbraw/zinc/03/65/90/631036590.db2.gz SNYWQSFZWZNJIU-QMMMGPOBSA-N 1 0 182.271 1.122 20 0 ADADRO CCCCC[NH2+][C@@H](C)c1cnn(C)n1 924542346 631036600 /nfs/dbraw/zinc/03/66/00/631036600.db2.gz KZPRAJIUTJDDRK-VIFPVBQESA-N 1 0 196.298 1.656 20 0 ADADRO C[C@@H]1C[C@H]([NH2+]C2CC2)c2ncnn21 924532817 631036671 /nfs/dbraw/zinc/03/66/71/631036671.db2.gz UVUJDCVDUCQTHE-SVRRBLITSA-N 1 0 178.239 1.036 20 0 ADADRO C[C@H](N[C@@H]1CC[N@H+](C)C1)c1ncco1 924955442 631037146 /nfs/dbraw/zinc/03/71/46/631037146.db2.gz QHDNHQBARCYBBL-DTWKUNHWSA-N 1 0 195.266 1.029 20 0 ADADRO CC[C@@H](CCO)[NH2+][C@H](C)c1ncco1 925124362 631037195 /nfs/dbraw/zinc/03/71/95/631037195.db2.gz XZTIUTQYWPIJAH-BDAKNGLRSA-N 1 0 198.266 1.486 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 924799634 631037306 /nfs/dbraw/zinc/03/73/06/631037306.db2.gz WOINPKRZXCLQOG-FJXKBIBVSA-N 1 0 195.266 1.685 20 0 ADADRO C[C@H](CO)[NH2+]C1CC2(CCCC2)C1 924751412 631037346 /nfs/dbraw/zinc/03/73/46/631037346.db2.gz KOVIEUJWWSVXHB-SECBINFHSA-N 1 0 183.295 1.680 20 0 ADADRO COc1cc([C@@H](C)[NH2+]CC2CC2)on1 924629215 631037420 /nfs/dbraw/zinc/03/74/20/631037420.db2.gz PSKQTFGMFHOYOD-SSDOTTSWSA-N 1 0 196.250 1.744 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C 924799633 631037506 /nfs/dbraw/zinc/03/75/06/631037506.db2.gz WOINPKRZXCLQOG-BKPPORCPSA-N 1 0 195.266 1.685 20 0 ADADRO C[C@H](CO)[NH2+]C1[C@H](C)CC[C@H]1C 924752465 631037558 /nfs/dbraw/zinc/03/75/58/631037558.db2.gz PJDSOIIXEYSVBB-IWSPIJDZSA-N 1 0 171.284 1.391 20 0 ADADRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ncco1 925124365 631037585 /nfs/dbraw/zinc/03/75/85/631037585.db2.gz XZTIUTQYWPIJAH-IUCAKERBSA-N 1 0 198.266 1.486 20 0 ADADRO C[C@@H](CN[C@H](C)c1ncco1)[NH+](C)C 924959838 631037673 /nfs/dbraw/zinc/03/76/73/631037673.db2.gz XBXBRMPCBYJUNO-DTWKUNHWSA-N 1 0 197.282 1.275 20 0 ADADRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCN(C)C1 924955507 631037703 /nfs/dbraw/zinc/03/77/03/631037703.db2.gz RPYKHDYLXLISIT-MXWKQRLJSA-N 1 0 196.338 1.715 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+][C@H]1CCN(C)C1 924955509 631037752 /nfs/dbraw/zinc/03/77/52/631037752.db2.gz RPYKHDYLXLISIT-WHOHXGKFSA-N 1 0 196.338 1.715 20 0 ADADRO C[C@@H](N[C@H]1CC[N@H+](C)C1)c1ncco1 924955441 631037830 /nfs/dbraw/zinc/03/78/30/631037830.db2.gz QHDNHQBARCYBBL-BDAKNGLRSA-N 1 0 195.266 1.029 20 0 ADADRO C[C@@H]([NH2+]CC1CCC1)c1cnn(C)n1 924801706 631037925 /nfs/dbraw/zinc/03/79/25/631037925.db2.gz IDGBPFWYYQDRGP-MRVPVSSYSA-N 1 0 194.282 1.266 20 0 ADADRO COc1cc([C@H](C)[NH2+]CC2CC2)on1 924629216 631038087 /nfs/dbraw/zinc/03/80/87/631038087.db2.gz PSKQTFGMFHOYOD-ZETCQYMHSA-N 1 0 196.250 1.744 20 0 ADADRO C[C@@H]([NH2+]CC1CCC1)c1cnnn1C 924803210 631038212 /nfs/dbraw/zinc/03/82/12/631038212.db2.gz PZVHVNSJFDIVHD-MRVPVSSYSA-N 1 0 194.282 1.266 20 0 ADADRO C[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ncco1 924955444 631038303 /nfs/dbraw/zinc/03/83/03/631038303.db2.gz QHDNHQBARCYBBL-RKDXNWHRSA-N 1 0 195.266 1.029 20 0 ADADRO C[C@H](NC[C@H](C)[NH+](C)C)c1ncco1 924959839 631038374 /nfs/dbraw/zinc/03/83/74/631038374.db2.gz XBXBRMPCBYJUNO-IUCAKERBSA-N 1 0 197.282 1.275 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+][C@@H]1CCN(C)C1 924955506 631038436 /nfs/dbraw/zinc/03/84/36/631038436.db2.gz RPYKHDYLXLISIT-KXNHARMFSA-N 1 0 196.338 1.715 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 924799632 631038545 /nfs/dbraw/zinc/03/85/45/631038545.db2.gz WOINPKRZXCLQOG-ACLDMZEESA-N 1 0 195.266 1.685 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 924799635 631038689 /nfs/dbraw/zinc/03/86/89/631038689.db2.gz WOINPKRZXCLQOG-ZKWXMUAHSA-N 1 0 195.266 1.685 20 0 ADADRO C[C@H]1CC[C@H](C)C1[NH2+][C@H](C)CO 924752470 631038787 /nfs/dbraw/zinc/03/87/87/631038787.db2.gz PJDSOIIXEYSVBB-XHNCKOQMSA-N 1 0 171.284 1.391 20 0 ADADRO Cc1nonc1[C@@H](C)[NH2+]CC1CC1 924628598 631038830 /nfs/dbraw/zinc/03/88/30/631038830.db2.gz KDVQNLFBQCPXLD-ZCFIWIBFSA-N 1 0 181.239 1.439 20 0 ADADRO C[C@H](N[C@H]1CC[N@H+](C)C1)c1ncco1 924955443 631038927 /nfs/dbraw/zinc/03/89/27/631038927.db2.gz QHDNHQBARCYBBL-IUCAKERBSA-N 1 0 195.266 1.029 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+][C@H](C)CO 924752469 631038984 /nfs/dbraw/zinc/03/89/84/631038984.db2.gz PJDSOIIXEYSVBB-RGOKHQFPSA-N 1 0 171.284 1.391 20 0 ADADRO CC[C@H](CCO)[NH2+][C@@H](C)c1ncco1 925124363 631039000 /nfs/dbraw/zinc/03/90/00/631039000.db2.gz XZTIUTQYWPIJAH-DTWKUNHWSA-N 1 0 198.266 1.486 20 0 ADADRO CC[C@H](CCO)[NH2+][C@H](C)c1ncco1 925124369 631039021 /nfs/dbraw/zinc/03/90/21/631039021.db2.gz XZTIUTQYWPIJAH-RKDXNWHRSA-N 1 0 198.266 1.486 20 0 ADADRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCN(C)C1 924955505 631039150 /nfs/dbraw/zinc/03/91/50/631039150.db2.gz RPYKHDYLXLISIT-GMTAPVOTSA-N 1 0 196.338 1.715 20 0 ADADRO C[C@H]([NH2+]CC1CCC1)c1cnnn1C 924803211 631039156 /nfs/dbraw/zinc/03/91/56/631039156.db2.gz PZVHVNSJFDIVHD-QMMMGPOBSA-N 1 0 194.282 1.266 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]CC1CC1 924628596 631039328 /nfs/dbraw/zinc/03/93/28/631039328.db2.gz KDVQNLFBQCPXLD-LURJTMIESA-N 1 0 181.239 1.439 20 0 ADADRO C[C@H]([NH2+]CC1CCC1)c1cnn(C)n1 924801707 631039471 /nfs/dbraw/zinc/03/94/71/631039471.db2.gz IDGBPFWYYQDRGP-QMMMGPOBSA-N 1 0 194.282 1.266 20 0 ADADRO C[C@H](NC[C@@H](C)[NH+](C)C)c1ncco1 924959837 631039510 /nfs/dbraw/zinc/03/95/10/631039510.db2.gz XBXBRMPCBYJUNO-BDAKNGLRSA-N 1 0 197.282 1.275 20 0 ADADRO C[C@@H](NC[C@@H](C)[NH+](C)C)c1ncco1 924959840 631039512 /nfs/dbraw/zinc/03/95/12/631039512.db2.gz XBXBRMPCBYJUNO-RKDXNWHRSA-N 1 0 197.282 1.275 20 0 ADADRO C[C@H]([NH2+]CCC1CC1)c1cnnn1C 925481160 631039802 /nfs/dbraw/zinc/03/98/02/631039802.db2.gz PJBRZQXBBDRRGT-QMMMGPOBSA-N 1 0 194.282 1.266 20 0 ADADRO C[C@@H]([NH2+]C1CC=CC1)c1cnnn1C 925268608 631039922 /nfs/dbraw/zinc/03/99/22/631039922.db2.gz BDABPBGLKCGBJF-MRVPVSSYSA-N 1 0 192.266 1.184 20 0 ADADRO C[C@@H](CO)[NH2+]C1[C@H](C)CC[C@H]1C 925279416 631040137 /nfs/dbraw/zinc/04/01/37/631040137.db2.gz PJDSOIIXEYSVBB-HLTSFMKQSA-N 1 0 171.284 1.391 20 0 ADADRO C[C@H](CCCO)[NH2+][C@H](C)c1ncco1 925259385 631040187 /nfs/dbraw/zinc/04/01/87/631040187.db2.gz VUBJORDDJKEDRZ-RKDXNWHRSA-N 1 0 198.266 1.486 20 0 ADADRO C[C@H]([NH2+][C@H](C)CCCO)c1ncco1 925259382 631040209 /nfs/dbraw/zinc/04/02/09/631040209.db2.gz VUBJORDDJKEDRZ-BDAKNGLRSA-N 1 0 198.266 1.486 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]C1CCC1 925377556 631040248 /nfs/dbraw/zinc/04/02/48/631040248.db2.gz QOALRWSBVMRCTI-LURJTMIESA-N 1 0 181.239 1.581 20 0 ADADRO Cc1nonc1[C@@H](C)[NH2+]C1CC=CC1 925266288 631040450 /nfs/dbraw/zinc/04/04/50/631040450.db2.gz BAWVWRUCNZQFOE-SSDOTTSWSA-N 1 0 193.250 1.747 20 0 ADADRO C[C@@H](CO)[NH2+][C@@H]1[C@@H](C)CC[C@H]1C 925161293 631040585 /nfs/dbraw/zinc/04/05/85/631040585.db2.gz PJDSOIIXEYSVBB-QCLAVDOMSA-N 1 0 171.284 1.391 20 0 ADADRO Cc1nonc1[C@@H](C)[NH2+]C1CCC1 925377560 631040602 /nfs/dbraw/zinc/04/06/02/631040602.db2.gz QOALRWSBVMRCTI-ZCFIWIBFSA-N 1 0 181.239 1.581 20 0 ADADRO C[C@H]([NH2+]C1CCC1)c1cc(CO)on1 925378627 631040616 /nfs/dbraw/zinc/04/06/16/631040616.db2.gz ZERPRXYZTVBRFM-ZETCQYMHSA-N 1 0 196.250 1.370 20 0 ADADRO C[C@H]([NH2+]C1CCC1)c1cnn(C)n1 925376347 631040710 /nfs/dbraw/zinc/04/07/10/631040710.db2.gz LDHMNBHEMTXPPW-ZETCQYMHSA-N 1 0 180.255 1.018 20 0 ADADRO C[C@H]([NH2+]C[C@H](C)CCO)c1ncco1 925182845 631040784 /nfs/dbraw/zinc/04/07/84/631040784.db2.gz UCLKWWZJVCKFHC-BDAKNGLRSA-N 1 0 198.266 1.344 20 0 ADADRO COc1cc([C@H](C)[NH2+]C2CCC2)on1 925378511 631040809 /nfs/dbraw/zinc/04/08/09/631040809.db2.gz XWPFDESIZJDPEM-ZETCQYMHSA-N 1 0 196.250 1.886 20 0 ADADRO C[C@@H]1CC[C@@H](C)C1[NH2+]CC1(CO)CC1 925205760 631041114 /nfs/dbraw/zinc/04/11/14/631041114.db2.gz WNDUDDRFLVFKEE-NXEZZACHSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@H]1CC[C@H](C)C1[NH2+]CC1(CO)CC1 925205762 631041256 /nfs/dbraw/zinc/04/12/56/631041256.db2.gz WNDUDDRFLVFKEE-UWVGGRQHSA-N 1 0 197.322 1.783 20 0 ADADRO C[C@@H](CCO)C[NH2+][C@H](C)c1ncco1 925182847 631041386 /nfs/dbraw/zinc/04/13/86/631041386.db2.gz UCLKWWZJVCKFHC-DTWKUNHWSA-N 1 0 198.266 1.344 20 0 ADADRO C[C@@H](CCCO)[NH2+][C@H](C)c1ncco1 925259383 631041405 /nfs/dbraw/zinc/04/14/05/631041405.db2.gz VUBJORDDJKEDRZ-DTWKUNHWSA-N 1 0 198.266 1.486 20 0 ADADRO C[C@@H]([NH2+]CCC1CC1)c1cnn(C)n1 925479598 631041494 /nfs/dbraw/zinc/04/14/94/631041494.db2.gz IQEQAMBCWUZCEB-MRVPVSSYSA-N 1 0 194.282 1.266 20 0 ADADRO C[C@H]([NH2+]CCC1CC1)c1cnn(C)n1 925479602 631041511 /nfs/dbraw/zinc/04/15/11/631041511.db2.gz IQEQAMBCWUZCEB-QMMMGPOBSA-N 1 0 194.282 1.266 20 0 ADADRO C[C@H]([NH2+]C1CC=CC1)c1cnnn1C 925268610 631041600 /nfs/dbraw/zinc/04/16/00/631041600.db2.gz BDABPBGLKCGBJF-QMMMGPOBSA-N 1 0 192.266 1.184 20 0 ADADRO C[C@@H]([NH2+]C1CCC1)c1cnn(C)n1 925376345 631041605 /nfs/dbraw/zinc/04/16/05/631041605.db2.gz LDHMNBHEMTXPPW-SSDOTTSWSA-N 1 0 180.255 1.018 20 0 ADADRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ncco1 925259384 631041690 /nfs/dbraw/zinc/04/16/90/631041690.db2.gz VUBJORDDJKEDRZ-IUCAKERBSA-N 1 0 198.266 1.486 20 0 ADADRO C[C@@H]([NH2+]CCC1CC1)c1cnnn1C 925481159 631041797 /nfs/dbraw/zinc/04/17/97/631041797.db2.gz PJBRZQXBBDRRGT-MRVPVSSYSA-N 1 0 194.282 1.266 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]CC1(CO)CC1 925205761 631041907 /nfs/dbraw/zinc/04/19/07/631041907.db2.gz WNDUDDRFLVFKEE-URLYPYJESA-N 1 0 197.322 1.783 20 0 ADADRO COc1cc([C@@H](C)[NH2+]C2CCC2)on1 925378509 631041991 /nfs/dbraw/zinc/04/19/91/631041991.db2.gz XWPFDESIZJDPEM-SSDOTTSWSA-N 1 0 196.250 1.886 20 0 ADADRO CC[NH2+]CCCN[C@H](C)c1ncc[nH]1 925689097 631047764 /nfs/dbraw/zinc/04/77/64/631047764.db2.gz GIFGOWNYKGLSFO-SECBINFHSA-N 1 0 196.298 1.060 20 0 ADADRO C[C@@H]([NH2+]C1CCC1)c1cc(CO)on1 925378626 631042257 /nfs/dbraw/zinc/04/22/57/631042257.db2.gz ZERPRXYZTVBRFM-SSDOTTSWSA-N 1 0 196.250 1.370 20 0 ADADRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ncco1 925182849 631042278 /nfs/dbraw/zinc/04/22/78/631042278.db2.gz UCLKWWZJVCKFHC-IUCAKERBSA-N 1 0 198.266 1.344 20 0 ADADRO C[C@@H](CO)[NH2+]C1[C@@H](C)CC[C@@H]1C 925279414 631042339 /nfs/dbraw/zinc/04/23/39/631042339.db2.gz PJDSOIIXEYSVBB-CIUDSAMLSA-N 1 0 171.284 1.391 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]C1CC=CC1 925266289 631042353 /nfs/dbraw/zinc/04/23/53/631042353.db2.gz BAWVWRUCNZQFOE-ZETCQYMHSA-N 1 0 193.250 1.747 20 0 ADADRO C[C@H](CCO)C[NH2+][C@H](C)c1ncco1 925182850 631042385 /nfs/dbraw/zinc/04/23/85/631042385.db2.gz UCLKWWZJVCKFHC-RKDXNWHRSA-N 1 0 198.266 1.344 20 0 ADADRO CSCCN[C@H]1CC[NH2+]C1(C)C 925506843 631043753 /nfs/dbraw/zinc/04/37/53/631043753.db2.gz SMFZGPSDGVYFBF-QMMMGPOBSA-N 1 0 188.340 1.080 20 0 ADADRO C[C@@H]1CC[C@H]([NH2+]CC2(C)COC2)C1 85444943 524702451 /nfs/dbraw/zinc/70/24/51/524702451.db2.gz AAUCZOFXPGRPLY-ZJUUUORDSA-N 1 0 183.295 1.801 20 0 ADADRO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]CCN1CCC1 925608410 631042983 /nfs/dbraw/zinc/04/29/83/631042983.db2.gz XKQZDSAKTPFNCD-GDNZZTSVSA-N 1 0 196.338 1.716 20 0 ADADRO C[C@H]1C[C@@H]([NH2+]CCCF)c2ncnn21 925555397 631043171 /nfs/dbraw/zinc/04/31/71/631043171.db2.gz FRKRWQCVJCXKSG-JGVFFNPUSA-N 1 0 198.245 1.233 20 0 ADADRO Cc1nonc1[C@@H](C)[NH2+]CCCF 925557069 631043426 /nfs/dbraw/zinc/04/34/26/631043426.db2.gz MOVTUSIAGTYBCS-ZCFIWIBFSA-N 1 0 187.218 1.388 20 0 ADADRO Cc1nonc1[C@H](C)[NH2+]CCCF 925557067 631043583 /nfs/dbraw/zinc/04/35/83/631043583.db2.gz MOVTUSIAGTYBCS-LURJTMIESA-N 1 0 187.218 1.388 20 0 ADADRO C[C@H]1C[C@H]([NH2+]CCCF)c2ncnn21 925555399 631044036 /nfs/dbraw/zinc/04/40/36/631044036.db2.gz FRKRWQCVJCXKSG-YUMQZZPRSA-N 1 0 198.245 1.233 20 0 ADADRO C[C@@H]1CC[C@@H](C)C1[NH2+]CCN1CCC1 925608411 631044710 /nfs/dbraw/zinc/04/47/10/631044710.db2.gz XKQZDSAKTPFNCD-GHMZBOCLSA-N 1 0 196.338 1.716 20 0 ADADRO C[C@@H]1C[C@@H]([NH2+]CCCF)c2ncnn21 925555396 631044791 /nfs/dbraw/zinc/04/47/91/631044791.db2.gz FRKRWQCVJCXKSG-HTQZYQBOSA-N 1 0 198.245 1.233 20 0 ADADRO C[C@@H]1C[C@H]([NH2+]CCCF)c2ncnn21 925555398 631045325 /nfs/dbraw/zinc/04/53/25/631045325.db2.gz FRKRWQCVJCXKSG-SFYZADRCSA-N 1 0 198.245 1.233 20 0 ADADRO CSCCN[C@@H]1CC[NH2+]C1(C)C 925506842 631045428 /nfs/dbraw/zinc/04/54/28/631045428.db2.gz SMFZGPSDGVYFBF-MRVPVSSYSA-N 1 0 188.340 1.080 20 0 ADADRO C[C@H]1CC[C@H](C)C1[NH2+]CCN1CCC1 925608412 631045450 /nfs/dbraw/zinc/04/54/50/631045450.db2.gz XKQZDSAKTPFNCD-QWRGUYRKSA-N 1 0 196.338 1.716 20 0 ADADRO C[C@@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CC1 925682668 631045979 /nfs/dbraw/zinc/04/59/79/631045979.db2.gz ZFUIFEABDFIJEJ-KKZNHRDASA-N 1 0 182.311 1.515 20 0 ADADRO CC1(C)[NH2+]CC[C@@H]1NCc1ccoc1 925613873 631046178 /nfs/dbraw/zinc/04/61/78/631046178.db2.gz ULNICFPVQBCMHQ-JTQLQIEISA-N 1 0 194.278 1.510 20 0 ADADRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc[nH]1 925644206 631046193 /nfs/dbraw/zinc/04/61/93/631046193.db2.gz IXQXTDKGNAKLLC-QXEWZRGKSA-N 1 0 194.278 1.700 20 0 ADADRO CC[NH2+]CCCN[C@@H](C)c1ncc[nH]1 925689101 631046804 /nfs/dbraw/zinc/04/68/04/631046804.db2.gz GIFGOWNYKGLSFO-VIFPVBQESA-N 1 0 196.298 1.060 20 0 ADADRO CC/C=C\CN[C@@H]1CC[NH2+]C1(C)C 925679784 631046985 /nfs/dbraw/zinc/04/69/85/631046985.db2.gz FAXCYBCFZRXFDV-WWQCOOJYSA-N 1 0 182.311 1.683 20 0 ADADRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc[nH]1 925644208 631047040 /nfs/dbraw/zinc/04/70/40/631047040.db2.gz IXQXTDKGNAKLLC-WCABBAIRSA-N 1 0 194.278 1.700 20 0 ADADRO CC/C=C/CN[C@H]1CC[NH2+]C1(C)C 925679783 631047070 /nfs/dbraw/zinc/04/70/70/631047070.db2.gz FAXCYBCFZRXFDV-PORFMDCZSA-N 1 0 182.311 1.683 20 0 ADADRO CC(C)=CCN[C@@H]1CC[NH2+]C1(C)C 925659125 631047271 /nfs/dbraw/zinc/04/72/71/631047271.db2.gz UGRFHXFJARLCNC-SNVBAGLBSA-N 1 0 182.311 1.683 20 0 ADADRO CC/C=C/CN[C@@H]1CC[NH2+]C1(C)C 925679781 631047622 /nfs/dbraw/zinc/04/76/22/631047622.db2.gz FAXCYBCFZRXFDV-BRAIEQGRSA-N 1 0 182.311 1.683 20 0 ADADRO CC1(C)[NH2+]CC[C@H]1NCc1ccoc1 925613875 631047672 /nfs/dbraw/zinc/04/76/72/631047672.db2.gz ULNICFPVQBCMHQ-SNVBAGLBSA-N 1 0 194.278 1.510 20 0 ADADRO C[C@@H]1NCCC[C@@H]1[NH2+][C@H](C)C1CC1 925682670 631047942 /nfs/dbraw/zinc/04/79/42/631047942.db2.gz ZFUIFEABDFIJEJ-YWVKMMECSA-N 1 0 182.311 1.515 20 0 ADADRO C[C@@H]1NCCC[C@H]1[NH2+][C@H](C)C1CC1 925682669 631048147 /nfs/dbraw/zinc/04/81/47/631048147.db2.gz ZFUIFEABDFIJEJ-WCABBAIRSA-N 1 0 182.311 1.515 20 0 ADADRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc[nH]1 925644210 631048209 /nfs/dbraw/zinc/04/82/09/631048209.db2.gz IXQXTDKGNAKLLC-YWVKMMECSA-N 1 0 194.278 1.700 20 0 ADADRO C[C@@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CC1 925682667 631048223 /nfs/dbraw/zinc/04/82/23/631048223.db2.gz ZFUIFEABDFIJEJ-FXPVBKGRSA-N 1 0 182.311 1.515 20 0 ADADRO CC/C=C\CN[C@H]1CC[NH2+]C1(C)C 925679782 631048356 /nfs/dbraw/zinc/04/83/56/631048356.db2.gz FAXCYBCFZRXFDV-OMMCCPJFSA-N 1 0 182.311 1.683 20 0 ADADRO CC(C)=CCN[C@H]1CC[NH2+]C1(C)C 925659123 631048458 /nfs/dbraw/zinc/04/84/58/631048458.db2.gz UGRFHXFJARLCNC-JTQLQIEISA-N 1 0 182.311 1.683 20 0 ADADRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc[nH]1 925644204 631048558 /nfs/dbraw/zinc/04/85/58/631048558.db2.gz IXQXTDKGNAKLLC-ATZCPNFKSA-N 1 0 194.278 1.700 20 0 ADADRO CC[NH2+][C@H](C)CN[C@@H](C)c1ncc[nH]1 925699962 631049192 /nfs/dbraw/zinc/04/91/92/631049192.db2.gz MJWJTXVCFJYQFV-BDAKNGLRSA-N 1 0 196.298 1.058 20 0 ADADRO CC[NH2+][C@H](C)CN[C@H](C)c1ncc[nH]1 925699964 631050281 /nfs/dbraw/zinc/05/02/81/631050281.db2.gz MJWJTXVCFJYQFV-RKDXNWHRSA-N 1 0 196.298 1.058 20 0 ADADRO CC1(C)[NH2+]CC[C@@H]1NCC1=CCCC1 925705176 631050708 /nfs/dbraw/zinc/05/07/08/631050708.db2.gz GQFUKOQBYGZKHZ-NSHDSACASA-N 1 0 194.322 1.827 20 0 ADADRO CC1(C)[NH2+]CC[C@H]1NCC1=CCCC1 925705175 631051283 /nfs/dbraw/zinc/05/12/83/631051283.db2.gz GQFUKOQBYGZKHZ-LLVKDONJSA-N 1 0 194.322 1.827 20 0 ADADRO CC(C)=CC[NH2+][C@H](C)c1cnnn1C 926267106 631059264 /nfs/dbraw/zinc/05/92/64/631059264.db2.gz WFPWQPUJKLLHOY-SECBINFHSA-N 1 0 194.282 1.432 20 0 ADADRO C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2CNOC2)C1 925859952 631052000 /nfs/dbraw/zinc/05/20/00/631052000.db2.gz LVYOJQQSMHLNNR-MXWKQRLJSA-N 1 0 196.294 1.058 20 0 ADADRO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1C=CCC1 925733511 631052027 /nfs/dbraw/zinc/05/20/27/631052027.db2.gz WJNUHBOZIOMZFO-IJLUTSLNSA-N 1 0 194.322 1.540 20 0 ADADRO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1C=CCC1 925733512 631052990 /nfs/dbraw/zinc/05/29/90/631052990.db2.gz WJNUHBOZIOMZFO-UTUOFQBUSA-N 1 0 194.322 1.540 20 0 ADADRO C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2CNOC2)C1 925859951 631053006 /nfs/dbraw/zinc/05/30/06/631053006.db2.gz LVYOJQQSMHLNNR-GMTAPVOTSA-N 1 0 196.294 1.058 20 0 ADADRO C[C@@H]1CC[NH2+][C@H]([C@H]2CC[C@@H](C)O2)C1 238850660 524711808 /nfs/dbraw/zinc/71/18/08/524711808.db2.gz CKEHXIUOLOMRFM-CHWFTXMASA-N 1 0 183.295 1.942 20 0 ADADRO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CNOC2)C1 925859954 631054056 /nfs/dbraw/zinc/05/40/56/631054056.db2.gz LVYOJQQSMHLNNR-VWYCJHECSA-N 1 0 196.294 1.058 20 0 ADADRO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1C=CCC1 925733510 631054148 /nfs/dbraw/zinc/05/41/48/631054148.db2.gz WJNUHBOZIOMZFO-GRYCIOLGSA-N 1 0 194.322 1.540 20 0 ADADRO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CNOC2)C1 925859953 631054159 /nfs/dbraw/zinc/05/41/59/631054159.db2.gz LVYOJQQSMHLNNR-OUAUKWLOSA-N 1 0 196.294 1.058 20 0 ADADRO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1C=CCC1 925733513 631054816 /nfs/dbraw/zinc/05/48/16/631054816.db2.gz WJNUHBOZIOMZFO-WOPDTQHZSA-N 1 0 194.322 1.540 20 0 ADADRO C[C@H]1COC[C@H]1[NH2+]C1(C2CC2)CC1 925896194 631055539 /nfs/dbraw/zinc/05/55/39/631055539.db2.gz KBEFCGWHCXAVHV-WCBMZHEXSA-N 1 0 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306260292 631168356 /nfs/dbraw/zinc/16/83/56/631168356.db2.gz JZEWPNFZYUEINK-BDAKNGLRSA-N 1 0 175.247 1.049 20 0 ADADRO C[C@@H]1CN(C/C=C/Cl)CCO1 306195554 631168391 /nfs/dbraw/zinc/16/83/91/631168391.db2.gz VFIMXJCGWYUWNB-UFUPEUMYSA-N 1 0 175.659 1.460 20 0 ADADRO C[C@H]([NH2+][C@H]1CC[C@H]1C)C(C)(C)O 306196744 631168427 /nfs/dbraw/zinc/16/84/27/631168427.db2.gz MXHXRNOFVQSGEL-VGMNWLOBSA-N 1 0 171.284 1.534 20 0 ADADRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 306228483 631168429 /nfs/dbraw/zinc/16/84/29/631168429.db2.gz HRCLKXVVHVFKHF-DBIOUOCHSA-N 1 0 183.295 1.536 20 0 ADADRO CC1(C)C[N@H+](CCF)CCCO1 306192520 631168450 /nfs/dbraw/zinc/16/84/50/631168450.db2.gz SDHAJXUYNZUOQH-UHFFFAOYSA-N 1 0 175.247 1.457 20 0 ADADRO C[C@@H]1C[NH+]=C(NC[C@H]2CC=CCC2)N1 306200072 631168518 /nfs/dbraw/zinc/16/85/18/631168518.db2.gz LOHJWQUYGVBGPR-ZJUUUORDSA-N 1 0 193.294 1.280 20 0 ADADRO C[C@H]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 306191691 631168533 /nfs/dbraw/zinc/16/85/33/631168533.db2.gz 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RXVGSWHVWPRUEF-UTLUCORTSA-N 1 0 198.310 1.240 20 0 ADADRO CC(C)[NH2+]CCNC(=O)CC1(C)CC1 401342610 1224342014 /nfs/dbraw/zinc/34/20/14/1224342014.db2.gz KVYULZNNUVKSNQ-UHFFFAOYSA-N 1 0 198.310 1.291 20 0 ADADRO CCCC[N@H+]1[C@@H](C)[C@H](C)NC[C@H]1C 401373142 1224342234 /nfs/dbraw/zinc/34/22/34/1224342234.db2.gz IXHRFUSOTIMFTB-VWYCJHECSA-N 1 0 184.327 1.857 20 0 ADADRO CCCC[N@@H+]1[C@H](C)CN[C@@H](C)[C@H]1C 401373140 1224342302 /nfs/dbraw/zinc/34/23/02/1224342302.db2.gz IXHRFUSOTIMFTB-OUAUKWLOSA-N 1 0 184.327 1.857 20 0 ADADRO CCCC[N@@H+]1[C@H](C)CN[C@H](C)[C@H]1C 401373137 1224342333 /nfs/dbraw/zinc/34/23/33/1224342333.db2.gz IXHRFUSOTIMFTB-GMTAPVOTSA-N 1 0 184.327 1.857 20 0 ADADRO CC(C)C(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C 401304205 1224342366 /nfs/dbraw/zinc/34/23/66/1224342366.db2.gz RXVGSWHVWPRUEF-KXUCPTDWSA-N 1 0 198.310 1.240 20 0 ADADRO CCC[NH2+]CCNC(=O)CC1(C)CC1 401335367 1224342659 /nfs/dbraw/zinc/34/26/59/1224342659.db2.gz HQEXLOUDISURDY-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO CC(C)C(=O)N1[C@@H](C)[C@@H](C)[NH2+]C[C@H]1C 401304201 1224342752 /nfs/dbraw/zinc/34/27/52/1224342752.db2.gz RXVGSWHVWPRUEF-BBBLOLIVSA-N 1 0 198.310 1.240 20 0 ADADRO C[C@H](O)CC[NH+]1CCC(F)(F)CC1 405176511 1224343290 /nfs/dbraw/zinc/34/32/90/1224343290.db2.gz CBGVVMYCTDBTHS-QMMMGPOBSA-N 1 0 193.237 1.488 20 0 ADADRO C[C@@H](O)CC[NH+]1CCC(F)(F)CC1 405176510 1224343903 /nfs/dbraw/zinc/34/39/03/1224343903.db2.gz CBGVVMYCTDBTHS-MRVPVSSYSA-N 1 0 193.237 1.488 20 0 ADADRO CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@]1(C)OC 694334427 1224350379 /nfs/dbraw/zinc/35/03/79/1224350379.db2.gz RYVKBQKFGCRNQH-YTWAJWBKSA-N 1 0 199.294 1.178 20 0 ADADRO CC[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@]1(C)OC 694334420 1224350416 /nfs/dbraw/zinc/35/04/16/1224350416.db2.gz RYVKBQKFGCRNQH-DBIOUOCHSA-N 1 0 199.294 1.178 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@@H]1CCCOC1 694322909 1224350606 /nfs/dbraw/zinc/35/06/06/1224350606.db2.gz OAWJEPZBLPPYIE-AXFHLTTASA-N 1 0 199.294 1.180 20 0 ADADRO CC[C@H]1COC[C@H]1[NH2+][C@@H]1C[C@]1(C)OC 694334430 1224350617 /nfs/dbraw/zinc/35/06/17/1224350617.db2.gz RYVKBQKFGCRNQH-ZDCRXTMVSA-N 1 0 199.294 1.178 20 0 ADADRO CC[C@H]1COC[C@@H]1[NH2+][C@@H]1C[C@]1(C)OC 694334423 1224350566 /nfs/dbraw/zinc/35/05/66/1224350566.db2.gz RYVKBQKFGCRNQH-MMWGEVLESA-N 1 0 199.294 1.178 20 0 ADADRO COCC[NH2+][C@H](C)Cc1ccccn1 694083168 1224350645 /nfs/dbraw/zinc/35/06/45/1224350645.db2.gz VYKZEHGMWBOGPJ-SNVBAGLBSA-N 1 0 194.278 1.249 20 0 ADADRO COCC[NH2+][C@@H](C)Cc1ccccn1 694083166 1224350852 /nfs/dbraw/zinc/35/08/52/1224350852.db2.gz VYKZEHGMWBOGPJ-JTQLQIEISA-N 1 0 194.278 1.249 20 0 ADADRO CO[C@@]1(C)C[C@H]1[NH2+]C[C@H]1CCCOC1 694322916 1224350878 /nfs/dbraw/zinc/35/08/78/1224350878.db2.gz OAWJEPZBLPPYIE-MXWKQRLJSA-N 1 0 199.294 1.180 20 0 ADADRO CC1(C)CC[N@H+](CCN2CCCC2)C1 760842049 1224352359 /nfs/dbraw/zinc/35/23/59/1224352359.db2.gz VFFBICVMUPNMJU-UHFFFAOYSA-N 1 0 196.338 1.814 20 0 ADADRO CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(C)C)C1 885918619 1224362129 /nfs/dbraw/zinc/36/21/29/1224362129.db2.gz GESUDIATBKZNJA-UWVGGRQHSA-N 1 0 198.310 1.241 20 0 ADADRO CCCC[N@H+](C)C[C@@](C)(O)C(F)F 885931368 1224362162 /nfs/dbraw/zinc/36/21/62/1224362162.db2.gz SLTMXCPKSLMMQJ-SECBINFHSA-N 1 0 195.253 1.734 20 0 ADADRO CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)C)C1 885918621 1224362215 /nfs/dbraw/zinc/36/22/15/1224362215.db2.gz GESUDIATBKZNJA-ZJUUUORDSA-N 1 0 198.310 1.241 20 0 ADADRO CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(C)C)C1 885918618 1224362514 /nfs/dbraw/zinc/36/25/14/1224362514.db2.gz GESUDIATBKZNJA-NXEZZACHSA-N 1 0 198.310 1.241 20 0 ADADRO CCCC[N@H+](C)C[C@](C)(O)C(F)F 885931369 1224362522 /nfs/dbraw/zinc/36/25/22/1224362522.db2.gz SLTMXCPKSLMMQJ-VIFPVBQESA-N 1 0 195.253 1.734 20 0 ADADRO CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(C)C)C1 885918620 1224362539 /nfs/dbraw/zinc/36/25/39/1224362539.db2.gz GESUDIATBKZNJA-VHSXEESVSA-N 1 0 198.310 1.241 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1COC[C@H]1C 926453208 1224364494 /nfs/dbraw/zinc/36/44/94/1224364494.db2.gz MNMSIRRZXKZJEZ-KYXWUPHJSA-N 1 0 187.283 1.034 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1COC[C@H]1C 926453211 1224364553 /nfs/dbraw/zinc/36/45/53/1224364553.db2.gz MNMSIRRZXKZJEZ-ZYUZMQFOSA-N 1 0 187.283 1.034 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1COC[C@@H]1C 926453206 1224364661 /nfs/dbraw/zinc/36/46/61/1224364661.db2.gz MNMSIRRZXKZJEZ-JLIMGVALSA-N 1 0 187.283 1.034 20 0 ADADRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1COC[C@@H]1C 926453209 1224364712 /nfs/dbraw/zinc/36/47/12/1224364712.db2.gz MNMSIRRZXKZJEZ-SGIHWFKDSA-N 1 0 187.283 1.034 20 0 ADADRO CC[C@@H](CO)[N@@H+]1CCCC2(CC2)C1 1119819065 1224365959 /nfs/dbraw/zinc/36/59/59/1224365959.db2.gz GQIQKJRYZKQMIC-JTQLQIEISA-N 1 0 183.295 1.633 20 0 ADADRO CC[C@H](CO)[N@@H+]1CCCC2(CC2)C1 1119819066 1224366397 /nfs/dbraw/zinc/36/63/97/1224366397.db2.gz GQIQKJRYZKQMIC-SNVBAGLBSA-N 1 0 183.295 1.633 20 0 ADADRO CC(C)C[NH2+]CCNC(=O)C1(C)CC1 1127865141 1224367639 /nfs/dbraw/zinc/36/76/39/1224367639.db2.gz AZCFVYMDKHFNPX-UHFFFAOYSA-N 1 0 198.310 1.148 20 0 ADADRO CCCC[NH2+]CCNC(=O)C1(C)CC1 1127839202 1224367888 /nfs/dbraw/zinc/36/78/88/1224367888.db2.gz BVDCJSWXBJFEGW-UHFFFAOYSA-N 1 0 198.310 1.292 20 0 ADADRO Cc1c(C[NH2+]C2CCC2)cnn1C 86552061 525721994 /nfs/dbraw/zinc/72/19/94/525721994.db2.gz SWWPSMMEXOFFRF-UHFFFAOYSA-N 1 0 179.267 1.371 20 0 ADADRO Cc1c(C[NH2+]C2CC(C)C2)cnn1C 160162108 525723033 /nfs/dbraw/zinc/72/30/33/525723033.db2.gz QMHKFILKXYJUKJ-UHFFFAOYSA-N 1 0 193.294 1.617 20 0 ADADRO Cc1ccc([C@@H](C)NC2C[NH2+]C2)cc1 84418382 525723381 /nfs/dbraw/zinc/72/33/81/525723381.db2.gz UYPDTYOGQGOWIM-SNVBAGLBSA-N 1 0 190.290 1.617 20 0 ADADRO C[C@H](O)C[N@@H+]1CCC[C@@H](C)CC1 156559765 525750809 /nfs/dbraw/zinc/75/08/09/525750809.db2.gz MSDOZNXBYBHSLA-ZJUUUORDSA-N 1 0 171.284 1.489 20 0 ADADRO CC(C)([NH3+])CNc1ccc(F)c(N)c1 1326518912 1224433103 /nfs/dbraw/zinc/43/31/03/1224433103.db2.gz NVIULFYEUKQWGQ-UHFFFAOYSA-N 1 0 197.257 1.557 20 0 ADADRO Cc1ccc([C@@H](O)C[NH3+])cc1F 82503302 525778858 /nfs/dbraw/zinc/77/88/58/525778858.db2.gz CRXVAJLVRGFELS-VIFPVBQESA-N 1 0 169.199 1.126 20 0 ADADRO CC(C)CC[NH2+][C@@H](CO)CCF 1326527097 1224435145 /nfs/dbraw/zinc/43/51/45/1224435145.db2.gz KMLAJLFFCAKOSN-SECBINFHSA-N 1 0 177.263 1.343 20 0 ADADRO CC(C)CC[NH2+][C@H](CO)CCF 1326527197 1224435205 /nfs/dbraw/zinc/43/52/05/1224435205.db2.gz KMLAJLFFCAKOSN-VIFPVBQESA-N 1 0 177.263 1.343 20 0 ADADRO CC[NH2+][C@@H]1CCCn2ccnc21 1326844585 1224435813 /nfs/dbraw/zinc/43/58/13/1224435813.db2.gz UZEKNJVYRWLHGA-MRVPVSSYSA-N 1 0 165.240 1.328 20 0 ADADRO CC[NH2+][C@H]1CCCn2ccnc21 1326844586 1224435903 /nfs/dbraw/zinc/43/59/03/1224435903.db2.gz UZEKNJVYRWLHGA-QMMMGPOBSA-N 1 0 165.240 1.328 20 0 ADADRO COC(=O)[C@H]1C[C@H]([NH2+]CCC(C)C)C1 1328334333 1224438286 /nfs/dbraw/zinc/43/82/86/1224438286.db2.gz CUMPGOSPMDHSBE-MGCOHNPYSA-N 1 0 199.294 1.574 20 0 ADADRO C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C 86842944 525784822 /nfs/dbraw/zinc/78/48/22/525784822.db2.gz ILHGWSIVJZTZSS-VHSXEESVSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C 86842950 525784333 /nfs/dbraw/zinc/78/43/33/525784333.db2.gz ILHGWSIVJZTZSS-UWVGGRQHSA-N 1 0 185.311 1.926 20 0 ADADRO C[C@@H](NC/C=C/C1CC1)[C@H]1CCC[NH2+]1 1329023368 1224441257 /nfs/dbraw/zinc/44/12/57/1224441257.db2.gz KLQGLRBZDUJBGQ-DHAXOIOKSA-N 1 0 194.322 1.683 20 0 ADADRO C[C@@H](NC/C=C\C1CC1)[C@H]1CCC[NH2+]1 1329023369 1224441993 /nfs/dbraw/zinc/44/19/93/1224441993.db2.gz KLQGLRBZDUJBGQ-INLBZTQWSA-N 1 0 194.322 1.683 20 0 ADADRO [NH2+]=C(NC/C=C/C1CC1)NC1CCC1 1329226439 1224444258 /nfs/dbraw/zinc/44/42/58/1224444258.db2.gz ZQSHRDWYZKYJLV-NSCUHMNNSA-N 1 0 193.294 1.619 20 0 ADADRO [NH2+]=C(NC/C=C\C1CC1)NC1CCC1 1329226438 1224444741 /nfs/dbraw/zinc/44/47/41/1224444741.db2.gz ZQSHRDWYZKYJLV-IHWYPQMZSA-N 1 0 193.294 1.619 20 0 ADADRO C[C@@]1(C(=O)NC2CCC2)CCC[NH2+]C1 62860959 525790401 /nfs/dbraw/zinc/79/04/01/525790401.db2.gz KZLYJZQQJDQBRI-LLVKDONJSA-N 1 0 196.294 1.045 20 0 ADADRO CC1([NH2+]Cc2ccc(=O)[nH]c2)CC1 1329349319 1224447005 /nfs/dbraw/zinc/44/70/05/1224447005.db2.gz MFWRHGTUDUYZLT-UHFFFAOYSA-N 1 0 178.235 1.429 20 0 ADADRO C=CC=CCC[NH2+]Cc1cc(C)n[nH]1 1330841565 1224449462 /nfs/dbraw/zinc/44/94/62/1224449462.db2.gz PVQNHPWTFJEMJN-SNAWJCMRSA-N 1 0 191.278 1.940 20 0 ADADRO C=CC=CCC[NH2+]Cc1cc(C)n[nH]1 1330841559 1224449601 /nfs/dbraw/zinc/44/96/01/1224449601.db2.gz PVQNHPWTFJEMJN-PLNGDYQASA-N 1 0 191.278 1.940 20 0 ADADRO CC1CC(C[N@@H+]2CCC[C@H]2CCO)C1 1333375347 1224456068 /nfs/dbraw/zinc/45/60/68/1224456068.db2.gz LSIORHQRVKTDMO-MCIGGMRASA-N 1 0 197.322 1.879 20 0 ADADRO CC1CC(C[N@@H+]2CCC[C@@H]2CCO)C1 1333375346 1224456173 /nfs/dbraw/zinc/45/61/73/1224456173.db2.gz LSIORHQRVKTDMO-HTAVTVPLSA-N 1 0 197.322 1.879 20 0 ADADRO COc1cc([C@H](C)[NH2+]C2(C)CC2)on1 1334389490 1224458371 /nfs/dbraw/zinc/45/83/71/1224458371.db2.gz IAYDYXRWKPQFMI-ZETCQYMHSA-N 1 0 196.250 1.886 20 0 ADADRO COc1cc([C@@H](C)[NH2+]C2(C)CC2)on1 1334389489 1224458386 /nfs/dbraw/zinc/45/83/86/1224458386.db2.gz IAYDYXRWKPQFMI-SSDOTTSWSA-N 1 0 196.250 1.886 20 0 ADADRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccncc1 1334725763 1224461000 /nfs/dbraw/zinc/46/10/00/1224461000.db2.gz RPMNNPKBZFCENJ-MWLCHTKSSA-N 1 0 192.262 1.037 20 0 ADADRO Cc1cc(C[NH2+][C@@]23CCC[C@@H]2C3)[nH]n1 1336783544 1224461814 /nfs/dbraw/zinc/46/18/14/1224461814.db2.gz BWGJYXLUDDYMSJ-MWLCHTKSSA-N 1 0 191.278 1.750 20 0 ADADRO CSC[C@@H](O)C[NH2+][C@@H](C)C1CC1 1336785521 1224461843 /nfs/dbraw/zinc/46/18/43/1224461843.db2.gz PVAVZXFTGGTNRR-CBAPKCEASA-N 1 0 189.324 1.098 20 0 ADADRO CC[C@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F 1336796266 1224461920 /nfs/dbraw/zinc/46/19/20/1224461920.db2.gz IYXFKVOXEOLTFH-RRKCRQDMSA-N 1 0 197.200 1.298 20 0 ADADRO CSC[C@H](O)C[NH2+][C@@H](C)C1CC1 1336785522 1224461927 /nfs/dbraw/zinc/46/19/27/1224461927.db2.gz PVAVZXFTGGTNRR-IONNQARKSA-N 1 0 189.324 1.098 20 0 ADADRO C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C 86856252 525806318 /nfs/dbraw/zinc/80/63/18/525806318.db2.gz QWAKMVUJAQRMPQ-RKDXNWHRSA-N 1 0 171.284 1.536 20 0 ADADRO 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