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347969434 /nfs/dbraw/zinc/96/94/34/347969434.db2.gz XWKXUESNSQQGOO-MRVPVSSYSA-N 1 2 215.278 -0.314 10 0 BBAELO O=S1(=O)CC[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000036899960 182912875 /nfs/dbraw/zinc/91/28/75/182912875.db2.gz XWKXUESNSQQGOO-QMMMGPOBSA-N 1 2 215.278 -0.314 10 0 BBAELO CN(C)C(=O)C[NH2+]Cc1csnn1 ZINC000036902198 172369701 /nfs/dbraw/zinc/36/97/01/172369701.db2.gz WCYAKSSZHNXTRE-UHFFFAOYSA-N 1 2 200.267 -0.284 10 0 BBAELO C[NH+]1CCN(C(=O)c2c[nH]nc2N)CC1 ZINC000036939346 173071498 /nfs/dbraw/zinc/07/14/98/173071498.db2.gz IHEOQGPVIOEMJU-UHFFFAOYSA-N 1 2 209.253 -0.621 10 0 BBAELO Nc1cccc2c1C(=O)N(C(=O)C[NH3+])C2=O ZINC000037015745 181348305 /nfs/dbraw/zinc/34/83/05/181348305.db2.gz STNFWDLRERPPMB-UHFFFAOYSA-N 1 2 219.200 -0.650 10 0 BBAELO Cc1cc(NS(=O)(=O)CC[NH3+])no1 ZINC000037116315 348021002 /nfs/dbraw/zinc/02/10/02/348021002.db2.gz KRWUSWQYWMVCHM-UHFFFAOYSA-N 1 2 205.239 -0.317 10 0 BBAELO NC(=O)NC(=O)CSc1ccc(N)[nH+]c1 ZINC000037192640 181255872 /nfs/dbraw/zinc/25/58/72/181255872.db2.gz HCRBERLVMXJCGK-UHFFFAOYSA-N 1 2 226.261 -0.049 10 0 BBAELO CNC(=O)C[NH2+]Cc1ncc(Cl)n1C ZINC000037207918 173277207 /nfs/dbraw/zinc/27/72/07/173277207.db2.gz FDRJLOXAMDQHOJ-UHFFFAOYSA-N 1 2 216.672 -0.091 10 0 BBAELO CNC(=O)CNc1cc(C(N)=S)cc[nH+]1 ZINC000037225027 173278716 /nfs/dbraw/zinc/27/87/16/173278716.db2.gz CHJZPKJOBBFVCH-UHFFFAOYSA-N 1 2 224.289 -0.126 10 0 BBAELO CNC(=O)CNc1[nH+]cccc1C(N)=S ZINC000037225029 173278957 /nfs/dbraw/zinc/27/89/57/173278957.db2.gz DULAXTSDRRHLTP-UHFFFAOYSA-N 1 2 224.289 -0.126 10 0 BBAELO CNC(=O)C[N@@H+](C)CCn1cc(N)ccc1=O ZINC000037269556 173267406 /nfs/dbraw/zinc/26/74/06/173267406.db2.gz JDJRCQOMWVHFNO-UHFFFAOYSA-N 1 2 238.291 -0.892 10 0 BBAELO CNC(=O)C[N@H+](C)CCn1cc(N)ccc1=O ZINC000037269556 173267404 /nfs/dbraw/zinc/26/74/04/173267404.db2.gz JDJRCQOMWVHFNO-UHFFFAOYSA-N 1 2 238.291 -0.892 10 0 BBAELO C[C@H](O)[C@H]([NH3+])c1nc(-c2cnccn2)no1 ZINC000037370061 177012894 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ZINC000037693898 388574226 /nfs/dbraw/zinc/57/42/26/388574226.db2.gz UJDJBRRABKXSNG-SFYZADRCSA-N 1 2 205.279 -0.762 10 0 BBAELO C[N@@H+](C1CC1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693899 388574895 /nfs/dbraw/zinc/57/48/95/388574895.db2.gz UJDJBRRABKXSNG-YUMQZZPRSA-N 1 2 205.279 -0.762 10 0 BBAELO C[N@H+](C1CC1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037693899 388574893 /nfs/dbraw/zinc/57/48/93/388574893.db2.gz UJDJBRRABKXSNG-YUMQZZPRSA-N 1 2 205.279 -0.762 10 0 BBAELO CC(=O)N1CCC([NH2+]Cc2ncn[nH]2)CC1 ZINC000037919711 188115155 /nfs/dbraw/zinc/11/51/55/188115155.db2.gz MVCVKNSRWKWYCG-UHFFFAOYSA-N 1 2 223.280 -0.095 10 0 BBAELO O=C(NCc1nnc[nH]1)[C@@H]1CSC[NH2+]1 ZINC000037920012 182275543 /nfs/dbraw/zinc/27/55/43/182275543.db2.gz IJHHLJCZIDHWOJ-YFKPBYRVSA-N 1 2 213.266 -0.917 10 0 BBAELO O=C(NCc1nc[nH]n1)[C@@H]1CSC[NH2+]1 ZINC000037920012 182275541 /nfs/dbraw/zinc/27/55/41/182275541.db2.gz IJHHLJCZIDHWOJ-YFKPBYRVSA-N 1 2 213.266 -0.917 10 0 BBAELO O=C(NCc1nnc[nH]1)[C@H]1CSC[NH2+]1 ZINC000037920013 182275295 /nfs/dbraw/zinc/27/52/95/182275295.db2.gz IJHHLJCZIDHWOJ-RXMQYKEDSA-N 1 2 213.266 -0.917 10 0 BBAELO O=C(NCc1nc[nH]n1)[C@H]1CSC[NH2+]1 ZINC000037920013 182275294 /nfs/dbraw/zinc/27/52/94/182275294.db2.gz IJHHLJCZIDHWOJ-RXMQYKEDSA-N 1 2 213.266 -0.917 10 0 BBAELO Cn1cnnc1C[NH2+]Cc1ccnn1C ZINC000038007806 180794919 /nfs/dbraw/zinc/79/49/19/180794919.db2.gz HKTNCSVPZPONOX-UHFFFAOYSA-N 1 2 206.253 -0.162 10 0 BBAELO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC000038034698 173289008 /nfs/dbraw/zinc/28/90/08/173289008.db2.gz KQFHZZPCBJWXAC-YFKPBYRVSA-N 1 2 241.251 -0.688 10 0 BBAELO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC000038034699 173288023 /nfs/dbraw/zinc/28/80/23/173288023.db2.gz KQFHZZPCBJWXAC-RXMQYKEDSA-N 1 2 241.251 -0.688 10 0 BBAELO CCNC(=O)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC000038034716 170087650 /nfs/dbraw/zinc/08/76/50/170087650.db2.gz PGPIXGYPPDQMLW-ZCFIWIBFSA-N 1 2 212.253 -0.008 10 0 BBAELO CCNC(=O)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC000038034717 170095105 /nfs/dbraw/zinc/09/51/05/170095105.db2.gz PGPIXGYPPDQMLW-LURJTMIESA-N 1 2 212.253 -0.008 10 0 BBAELO Cc1nccc(C[NH2+][C@@H]2CC(=O)NC2=O)n1 ZINC000038037828 180191676 /nfs/dbraw/zinc/19/16/76/180191676.db2.gz XZQBZWIELXVMPC-MRVPVSSYSA-N 1 2 220.232 -0.710 10 0 BBAELO Cc1nccc(C[NH2+][C@H]2CC(=O)N(C)C2=O)n1 ZINC000038037833 180191009 /nfs/dbraw/zinc/19/10/09/180191009.db2.gz XNGLQDJZYCVUEC-VIFPVBQESA-N 1 2 234.259 -0.368 10 0 BBAELO COC(=O)[C@@H]([NH3+])CSCNC(C)=O ZINC000038612215 343378113 /nfs/dbraw/zinc/37/81/13/343378113.db2.gz NRTHUBCCPNZHNC-LURJTMIESA-N 1 2 206.267 -0.687 10 0 BBAELO Nc1nc(N)c(N)c(N2CCOCC2)[nH+]1 ZINC000038951868 132343661 /nfs/dbraw/zinc/34/36/61/132343661.db2.gz DUHATDNXRFRRFH-UHFFFAOYSA-N 1 2 210.241 -0.940 10 0 BBAELO O=C1CC[NH+](CC2=CC=C[C@@H](O)[C@H]2O)CC1 ZINC000039098642 343382323 /nfs/dbraw/zinc/38/23/23/343382323.db2.gz VGUJVMSOKRKBDW-NEPJUHHUSA-N 1 2 223.272 -0.131 10 0 BBAELO O=C1CC[NH+](CC2=CC=C[C@@H](O)[C@@H]2O)CC1 ZINC000039100420 343383660 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/nfs/dbraw/zinc/38/77/03/343387703.db2.gz VGRLTQLZJHEPMW-SSDOTTSWSA-N 1 2 219.237 -0.985 10 0 BBAELO COC(=O)C[C@H](C(=O)OC)[N@H+](C)CCO ZINC000039280794 343387699 /nfs/dbraw/zinc/38/76/99/343387699.db2.gz VGRLTQLZJHEPMW-SSDOTTSWSA-N 1 2 219.237 -0.985 10 0 BBAELO CC[N@@H+](C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000039287108 343388553 /nfs/dbraw/zinc/38/85/53/343388553.db2.gz PQCNEWDTRRFFTH-SECBINFHSA-N 1 2 248.348 -0.416 10 0 BBAELO CC[N@H+](C)CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000039287108 343388551 /nfs/dbraw/zinc/38/85/51/343388551.db2.gz PQCNEWDTRRFFTH-SECBINFHSA-N 1 2 248.348 -0.416 10 0 BBAELO CC[N@@H+](C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000039287109 372930550 /nfs/dbraw/zinc/93/05/50/372930550.db2.gz PQCNEWDTRRFFTH-VIFPVBQESA-N 1 2 248.348 -0.416 10 0 BBAELO CC[N@H+](C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000039287109 372930544 /nfs/dbraw/zinc/93/05/44/372930544.db2.gz PQCNEWDTRRFFTH-VIFPVBQESA-N 1 2 248.348 -0.416 10 0 BBAELO C[C@]12CS(=O)(=O)C[C@H]1S[C@H]([NH3+])N2 ZINC000040166338 385698651 /nfs/dbraw/zinc/69/86/51/385698651.db2.gz QQIFQQUBIWMPQE-PBXRRBTRSA-N 1 2 208.308 -0.879 10 0 BBAELO C[C@]12CS(=O)(=O)C[C@H]1S[C@@H]([NH3+])N2 ZINC000040166339 385699025 /nfs/dbraw/zinc/69/90/25/385699025.db2.gz QQIFQQUBIWMPQE-SRQIZXRXSA-N 1 2 208.308 -0.879 10 0 BBAELO CCC[NH+]1CCC(N)(c2nn[nH]n2)CC1 ZINC000040397063 169186394 /nfs/dbraw/zinc/18/63/94/169186394.db2.gz REKDNXVCNAMHKZ-UHFFFAOYSA-N 1 2 210.285 -0.141 10 0 BBAELO CCC[NH+]1CCC([NH3+])(c2nnn[n-]2)CC1 ZINC000040397063 169186393 /nfs/dbraw/zinc/18/63/93/169186393.db2.gz REKDNXVCNAMHKZ-UHFFFAOYSA-N 1 2 210.285 -0.141 10 0 BBAELO C[NH+]1CCN(c2cc(=O)nc(N)[nH]2)CC1 ZINC000040429611 536418103 /nfs/dbraw/zinc/41/81/03/536418103.db2.gz QLCJOXZPNHPFTJ-UHFFFAOYSA-N 1 2 209.253 -0.896 10 0 BBAELO C[NH+]1CCN(c2cc(=O)[nH]c(N)n2)CC1 ZINC000040429611 536418101 /nfs/dbraw/zinc/41/81/01/536418101.db2.gz QLCJOXZPNHPFTJ-UHFFFAOYSA-N 1 2 209.253 -0.896 10 0 BBAELO CC(C)(C)NC(=O)c1nnc2n1CC[NH2+]C2 ZINC000040434613 358236391 /nfs/dbraw/zinc/23/63/91/358236391.db2.gz NVHFJZVJZIDGPG-UHFFFAOYSA-N 1 2 223.280 -0.090 10 0 BBAELO CN1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000040537726 173092164 /nfs/dbraw/zinc/09/21/64/173092164.db2.gz JLMUIMQSGSGQKD-SECBINFHSA-N 1 2 218.322 -0.579 10 0 BBAELO CN1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000040537727 173093883 /nfs/dbraw/zinc/09/38/83/173093883.db2.gz JLMUIMQSGSGQKD-VIFPVBQESA-N 1 2 218.322 -0.579 10 0 BBAELO CNc1nc[nH+]c(N2CCOCC2)c1N ZINC000040706817 132348190 /nfs/dbraw/zinc/34/81/90/132348190.db2.gz ULOJXGOZWPUSOC-UHFFFAOYSA-N 1 2 209.253 -0.063 10 0 BBAELO CN(C)c1nc[nH+]c(N2CCOCC2)c1N ZINC000040723391 132348668 /nfs/dbraw/zinc/34/86/68/132348668.db2.gz XKSHGDDCQKAKTF-UHFFFAOYSA-N 1 2 223.280 -0.039 10 0 BBAELO CN(C)c1[nH+]cnc(N2CCOCC2)c1N ZINC000040723391 132348665 /nfs/dbraw/zinc/34/86/65/132348665.db2.gz XKSHGDDCQKAKTF-UHFFFAOYSA-N 1 2 223.280 -0.039 10 0 BBAELO C[C@H]1C[NH+](CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC000041363429 177243660 /nfs/dbraw/zinc/24/36/60/177243660.db2.gz MSOLFAFQTZEQEC-QWRGUYRKSA-N 1 2 242.319 -0.046 10 0 BBAELO C[C@@H]1C[NH+](CC(=O)N2CCOCC2)C[C@@H](C)O1 ZINC000041363432 176282735 /nfs/dbraw/zinc/28/27/35/176282735.db2.gz MSOLFAFQTZEQEC-GHMZBOCLSA-N 1 2 242.319 -0.046 10 0 BBAELO NC(=O)c1cc(N)cnc1-n1cc[nH+]c1 ZINC000042139487 181289971 /nfs/dbraw/zinc/28/99/71/181289971.db2.gz JIDAFBNSLYJCQD-UHFFFAOYSA-N 1 2 203.205 -0.052 10 0 BBAELO CC[NH2+]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000042332854 170108632 /nfs/dbraw/zinc/10/86/32/170108632.db2.gz UWOGZWGBFKFFKD-UHFFFAOYSA-N 1 2 235.305 -0.284 10 0 BBAELO C[NH2+]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC000042332858 173320885 /nfs/dbraw/zinc/32/08/85/173320885.db2.gz RVSZZGNUDKEWSV-UHFFFAOYSA-N 1 2 221.278 -0.674 10 0 BBAELO CCOC(=O)C1([NH2+]C)CCS(=O)(=O)CC1 ZINC000042332860 170190722 /nfs/dbraw/zinc/19/07/22/170190722.db2.gz UKBHUBGBCAKBQD-UHFFFAOYSA-N 1 2 235.305 -0.284 10 0 BBAELO Nc1n[nH]cc1C(=O)NCCn1cc[nH+]c1 ZINC000042543292 181774439 /nfs/dbraw/zinc/77/44/39/181774439.db2.gz GJMVOVLZMQQUKK-UHFFFAOYSA-N 1 2 220.236 -0.382 10 0 BBAELO CNC(=O)[C@H](C)[NH2+]Cc1csnn1 ZINC000042561622 173302851 /nfs/dbraw/zinc/30/28/51/173302851.db2.gz FRFVXLZUNKGBNZ-YFKPBYRVSA-N 1 2 200.267 -0.238 10 0 BBAELO CNC(=O)[C@@H](C)[NH2+]Cc1csnn1 ZINC000042561624 173295321 /nfs/dbraw/zinc/29/53/21/173295321.db2.gz FRFVXLZUNKGBNZ-RXMQYKEDSA-N 1 2 200.267 -0.238 10 0 BBAELO CNC(=O)[C@H](C)[NH2+]Cc1nnc(C)n1C ZINC000042562762 173302893 /nfs/dbraw/zinc/30/28/93/173302893.db2.gz NRSHPDMRFTYBOX-LURJTMIESA-N 1 2 211.269 -0.652 10 0 BBAELO CNC(=O)[C@@H](C)[NH2+]Cc1nnc(C)n1C ZINC000042562764 173295146 /nfs/dbraw/zinc/29/51/46/173295146.db2.gz NRSHPDMRFTYBOX-ZCFIWIBFSA-N 1 2 211.269 -0.652 10 0 BBAELO C[C@@H](C(N)=S)[NH+]1CCS(=O)CC1 ZINC000043514455 343116507 /nfs/dbraw/zinc/11/65/07/343116507.db2.gz YVMONMQJVHNPRP-LURJTMIESA-N 1 2 206.336 -0.275 10 0 BBAELO C[C@H](C(N)=S)[NH+]1CCS(=O)CC1 ZINC000043514456 343116563 /nfs/dbraw/zinc/11/65/63/343116563.db2.gz YVMONMQJVHNPRP-ZCFIWIBFSA-N 1 2 206.336 -0.275 10 0 BBAELO CN(C)N=c1cncc(C(N)=[NH+]N(C)C)[nH]1 ZINC000044548394 358391001 /nfs/dbraw/zinc/39/10/01/358391001.db2.gz JBHGKKLNCPSVRF-UHFFFAOYSA-N 1 2 223.284 -0.453 10 0 BBAELO Cc1cc(C[NH2+][C@H]2CC(=O)N(C)C2=O)no1 ZINC000044720763 178038959 /nfs/dbraw/zinc/03/89/59/178038959.db2.gz MBJKVOXGMWLAPX-QMMMGPOBSA-N 1 2 223.232 -0.170 10 0 BBAELO Cc1cc(C[NH2+][C@H]2CC(=O)NC2=O)no1 ZINC000044720842 178038651 /nfs/dbraw/zinc/03/86/51/178038651.db2.gz WJJBCGUGVZQKLM-ZETCQYMHSA-N 1 2 209.205 -0.512 10 0 BBAELO Cc1cc(C[NH2+][C@H]2CC(=O)NC2=O)on1 ZINC000044990752 178039085 /nfs/dbraw/zinc/03/90/85/178039085.db2.gz FUUMPAALPONOFD-ZETCQYMHSA-N 1 2 209.205 -0.512 10 0 BBAELO Cc1cc(C[NH2+][C@H]2CC(=O)N(C)C2=O)on1 ZINC000044990768 178038775 /nfs/dbraw/zinc/03/87/75/178038775.db2.gz YYVGWCVWCNXQIO-QMMMGPOBSA-N 1 2 223.232 -0.170 10 0 BBAELO Cc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)on1 ZINC000044990904 178034691 /nfs/dbraw/zinc/03/46/91/178034691.db2.gz QBVUOHJWOSNUQE-BDAKNGLRSA-N 1 2 246.288 -0.769 10 0 BBAELO Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)on1 ZINC000044990906 178041500 /nfs/dbraw/zinc/04/15/00/178041500.db2.gz QBVUOHJWOSNUQE-IUCAKERBSA-N 1 2 246.288 -0.769 10 0 BBAELO Cc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)on1 ZINC000044990908 178034431 /nfs/dbraw/zinc/03/44/31/178034431.db2.gz QBVUOHJWOSNUQE-RKDXNWHRSA-N 1 2 246.288 -0.769 10 0 BBAELO Cc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2O)on1 ZINC000044990910 178042110 /nfs/dbraw/zinc/04/21/10/178042110.db2.gz QBVUOHJWOSNUQE-DTWKUNHWSA-N 1 2 246.288 -0.769 10 0 BBAELO CCOC(=O)[C@H]([NH3+])CN1CCOCC1 ZINC000045375455 170275982 /nfs/dbraw/zinc/27/59/82/170275982.db2.gz SOJFQDVQRMVAAU-MRVPVSSYSA-N 1 2 202.254 -0.791 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])CN1CCOCC1 ZINC000045375457 170252662 /nfs/dbraw/zinc/25/26/62/170252662.db2.gz SOJFQDVQRMVAAU-QMMMGPOBSA-N 1 2 202.254 -0.791 10 0 BBAELO CCOC(=O)[C@H](N)C[N@H+]1CCOC[C@@H]1C ZINC000045389286 170275678 /nfs/dbraw/zinc/27/56/78/170275678.db2.gz KZCOGGIOVYFTAV-DTWKUNHWSA-N 1 2 216.281 -0.403 10 0 BBAELO CCOC(=O)[C@H](N)C[N@@H+]1CCOC[C@@H]1C ZINC000045389286 170275676 /nfs/dbraw/zinc/27/56/76/170275676.db2.gz KZCOGGIOVYFTAV-DTWKUNHWSA-N 1 2 216.281 -0.403 10 0 BBAELO CCOC(=O)[C@H]([NH3+])CN1CCOC[C@@H]1C ZINC000045389286 170275674 /nfs/dbraw/zinc/27/56/74/170275674.db2.gz KZCOGGIOVYFTAV-DTWKUNHWSA-N 1 2 216.281 -0.403 10 0 BBAELO CCOC(=O)[C@@H](N)C[N@H+]1CCOC[C@@H]1C ZINC000045389291 170252915 /nfs/dbraw/zinc/25/29/15/170252915.db2.gz KZCOGGIOVYFTAV-IUCAKERBSA-N 1 2 216.281 -0.403 10 0 BBAELO CCOC(=O)[C@@H](N)C[N@@H+]1CCOC[C@@H]1C ZINC000045389291 170252913 /nfs/dbraw/zinc/25/29/13/170252913.db2.gz KZCOGGIOVYFTAV-IUCAKERBSA-N 1 2 216.281 -0.403 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])CN1CCOC[C@@H]1C ZINC000045389291 170252910 /nfs/dbraw/zinc/25/29/10/170252910.db2.gz KZCOGGIOVYFTAV-IUCAKERBSA-N 1 2 216.281 -0.403 10 0 BBAELO CC[NH2+][C@@H](Cn1cncn1)C(=O)OCC ZINC000045435690 582879345 /nfs/dbraw/zinc/87/93/45/582879345.db2.gz IXVFAFQCSLERKK-QMMMGPOBSA-N 1 2 212.253 -0.181 10 0 BBAELO CC[NH2+][C@H](Cn1cncn1)C(=O)OCC ZINC000045435692 582879411 /nfs/dbraw/zinc/87/94/11/582879411.db2.gz IXVFAFQCSLERKK-MRVPVSSYSA-N 1 2 212.253 -0.181 10 0 BBAELO CCC[NH2+][C@@H](Cn1cncn1)C(=O)OC ZINC000045435698 582879181 /nfs/dbraw/zinc/87/91/81/582879181.db2.gz LQUJQFMVCDKLTH-QMMMGPOBSA-N 1 2 212.253 -0.181 10 0 BBAELO CCC[NH2+][C@H](Cn1cncn1)C(=O)OC ZINC000045435700 582814803 /nfs/dbraw/zinc/81/48/03/582814803.db2.gz LQUJQFMVCDKLTH-MRVPVSSYSA-N 1 2 212.253 -0.181 10 0 BBAELO COC(=O)[C@H](Cn1cncn1)[NH2+]C(C)C ZINC000045435710 582879467 /nfs/dbraw/zinc/87/94/67/582879467.db2.gz LVZFOUOIDUQGIV-QMMMGPOBSA-N 1 2 212.253 -0.182 10 0 BBAELO COC(=O)[C@@H](Cn1cncn1)[NH2+]C(C)C ZINC000045435712 582879020 /nfs/dbraw/zinc/87/90/20/582879020.db2.gz LVZFOUOIDUQGIV-MRVPVSSYSA-N 1 2 212.253 -0.182 10 0 BBAELO CCOC(=O)[C@@](C)(Cn1cncn1)[NH2+]C ZINC000045435789 582879557 /nfs/dbraw/zinc/87/95/57/582879557.db2.gz QLLYACBPHQXGIE-SECBINFHSA-N 1 2 212.253 -0.181 10 0 BBAELO CCOC(=O)[C@](C)(Cn1cncn1)[NH2+]C ZINC000045435791 582879147 /nfs/dbraw/zinc/87/91/47/582879147.db2.gz QLLYACBPHQXGIE-VIFPVBQESA-N 1 2 212.253 -0.181 10 0 BBAELO CC[NH2+][C@@](C)(Cn1cncn1)C(=O)OC ZINC000045435797 582879109 /nfs/dbraw/zinc/87/91/09/582879109.db2.gz DXEYSDBEOJRTGC-VIFPVBQESA-N 1 2 212.253 -0.181 10 0 BBAELO CC[NH2+][C@](C)(Cn1cncn1)C(=O)OC ZINC000045435799 582879373 /nfs/dbraw/zinc/87/93/73/582879373.db2.gz DXEYSDBEOJRTGC-SECBINFHSA-N 1 2 212.253 -0.181 10 0 BBAELO C[NH2+][C@](C)(CCn1cncn1)C(=O)OC ZINC000045435874 582879157 /nfs/dbraw/zinc/87/91/57/582879157.db2.gz ZETUAVGMTJXTMG-SECBINFHSA-N 1 2 212.253 -0.181 10 0 BBAELO C[NH2+][C@@](C)(CCn1cncn1)C(=O)OC ZINC000045435875 582879085 /nfs/dbraw/zinc/87/90/85/582879085.db2.gz ZETUAVGMTJXTMG-VIFPVBQESA-N 1 2 212.253 -0.181 10 0 BBAELO C[NH2+][C@@H](Cn1nc(C)nc1C)C(=O)OC ZINC000045459542 582880112 /nfs/dbraw/zinc/88/01/12/582880112.db2.gz ACCVAPGADLYJID-QMMMGPOBSA-N 1 2 212.253 -0.344 10 0 BBAELO C[NH2+][C@H](Cn1nc(C)nc1C)C(=O)OC ZINC000045459544 582880430 /nfs/dbraw/zinc/88/04/30/582880430.db2.gz ACCVAPGADLYJID-MRVPVSSYSA-N 1 2 212.253 -0.344 10 0 BBAELO CCOC(=O)[C@H]([NH3+])CN1C(=O)CCC1=O ZINC000045460983 170275024 /nfs/dbraw/zinc/27/50/24/170275024.db2.gz DCDRKDREXDDGMH-ZCFIWIBFSA-N 1 2 214.221 -0.974 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])CN1C(=O)CCC1=O ZINC000045460985 170252799 /nfs/dbraw/zinc/25/27/99/170252799.db2.gz DCDRKDREXDDGMH-LURJTMIESA-N 1 2 214.221 -0.974 10 0 BBAELO CCOC(=O)[C@](C)([NH3+])CN1C(=O)CCC1=O ZINC000045461039 631838050 /nfs/dbraw/zinc/83/80/50/631838050.db2.gz DWUVVRMPUDVJRY-SNVBAGLBSA-N 1 2 228.248 -0.584 10 0 BBAELO CCOC(=O)[C@@](C)([NH3+])CN1C(=O)CCC1=O ZINC000045461041 631837371 /nfs/dbraw/zinc/83/73/71/631837371.db2.gz DWUVVRMPUDVJRY-JTQLQIEISA-N 1 2 228.248 -0.584 10 0 BBAELO COC(=O)[C@](C)([NH3+])CN1C(=O)CCC1=O ZINC000045461266 582880471 /nfs/dbraw/zinc/88/04/71/582880471.db2.gz NQHCKFNPLARSCA-SECBINFHSA-N 1 2 214.221 -0.974 10 0 BBAELO COC(=O)[C@@](C)([NH3+])CN1C(=O)CCC1=O ZINC000045461268 582879939 /nfs/dbraw/zinc/87/99/39/582879939.db2.gz NQHCKFNPLARSCA-VIFPVBQESA-N 1 2 214.221 -0.974 10 0 BBAELO CCOC(=O)[C@H]([NH3+])COC[C@@H]1CCOC1 ZINC000045467940 170275817 /nfs/dbraw/zinc/27/58/17/170275817.db2.gz BQGDIAPKEZDRTH-RKDXNWHRSA-N 1 2 217.265 -0.070 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])COC[C@@H]1CCOC1 ZINC000045467942 170253577 /nfs/dbraw/zinc/25/35/77/170253577.db2.gz BQGDIAPKEZDRTH-BDAKNGLRSA-N 1 2 217.265 -0.070 10 0 BBAELO CCOC(=O)[C@H]([NH3+])COC[C@H]1CCOC1 ZINC000045467944 170274593 /nfs/dbraw/zinc/27/45/93/170274593.db2.gz BQGDIAPKEZDRTH-DTWKUNHWSA-N 1 2 217.265 -0.070 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])COC[C@H]1CCOC1 ZINC000045467946 170254105 /nfs/dbraw/zinc/25/41/05/170254105.db2.gz BQGDIAPKEZDRTH-IUCAKERBSA-N 1 2 217.265 -0.070 10 0 BBAELO CCOC(=O)[C@H]([NH3+])COCCCOC ZINC000045469575 170274671 /nfs/dbraw/zinc/27/46/71/170274671.db2.gz NVOJTEWFKCMVOZ-MRVPVSSYSA-N 1 2 205.254 -0.070 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])COCCCOC ZINC000045469577 170253683 /nfs/dbraw/zinc/25/36/83/170253683.db2.gz NVOJTEWFKCMVOZ-QMMMGPOBSA-N 1 2 205.254 -0.070 10 0 BBAELO CCOC(=O)[C@H]([NH3+])CSc1nc[nH]n1 ZINC000045557361 170275896 /nfs/dbraw/zinc/27/58/96/170275896.db2.gz XYSNPOFMKMXIRV-RXMQYKEDSA-N 1 2 216.266 -0.213 10 0 BBAELO CCOC(=O)[C@@H]([NH3+])CSc1nc[nH]n1 ZINC000045557362 170253844 /nfs/dbraw/zinc/25/38/44/170253844.db2.gz XYSNPOFMKMXIRV-YFKPBYRVSA-N 1 2 216.266 -0.213 10 0 BBAELO CC(C)(C)OC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000046344104 358574809 /nfs/dbraw/zinc/57/48/09/358574809.db2.gz RQBJNCDCFVEHKC-SECBINFHSA-N 1 2 230.308 -0.406 10 0 BBAELO CC(C)(C)OC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000046344104 358574806 /nfs/dbraw/zinc/57/48/06/358574806.db2.gz RQBJNCDCFVEHKC-SECBINFHSA-N 1 2 230.308 -0.406 10 0 BBAELO CC(C)(C)OC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000046344106 358575349 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C[C@H]1COCC[N@H+]1CC[C@H]([NH3+])C(=O)[O-] ZINC000062448122 177292591 /nfs/dbraw/zinc/29/25/91/177292591.db2.gz GOXWPCSHNHDGCW-YUMQZZPRSA-N 1 2 202.254 -0.491 10 0 BBAELO C[C@H]1COCC[N@@H+]1CC[C@H]([NH3+])C(=O)[O-] ZINC000062448122 177292590 /nfs/dbraw/zinc/29/25/90/177292590.db2.gz GOXWPCSHNHDGCW-YUMQZZPRSA-N 1 2 202.254 -0.491 10 0 BBAELO CC[NH2+][C@@H](CCn1cncn1)C(=O)OC ZINC000062535720 641059749 /nfs/dbraw/zinc/05/97/49/641059749.db2.gz MTONUJJFLWWLBA-QMMMGPOBSA-N 1 2 212.253 -0.181 10 0 BBAELO CC[NH2+][C@H](CCn1cncn1)C(=O)OC ZINC000062535725 641059340 /nfs/dbraw/zinc/05/93/40/641059340.db2.gz MTONUJJFLWWLBA-MRVPVSSYSA-N 1 2 212.253 -0.181 10 0 BBAELO COC(=O)[C@@H](CCn1cncn1)[NH2+]C1CC1 ZINC000062535773 641059539 /nfs/dbraw/zinc/05/95/39/641059539.db2.gz DGELTMUIRRVUJO-SECBINFHSA-N 1 2 224.264 -0.038 10 0 BBAELO COC(=O)[C@H](CCn1cncn1)[NH2+]C1CC1 ZINC000062535779 641059558 /nfs/dbraw/zinc/05/95/58/641059558.db2.gz DGELTMUIRRVUJO-VIFPVBQESA-N 1 2 224.264 -0.038 10 0 BBAELO 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346400289 /nfs/dbraw/zinc/40/02/89/346400289.db2.gz IWRYKPDYKGAASP-BDAKNGLRSA-N 1 2 219.306 -0.200 10 0 BBAELO O=S1(=O)CCC[NH2+][C@@H]([C@@H]2CCOC2)C1 ZINC000158682457 344721545 /nfs/dbraw/zinc/72/15/45/344721545.db2.gz IWRYKPDYKGAASP-RKDXNWHRSA-N 1 2 219.306 -0.200 10 0 BBAELO O=S1(=O)CCC[NH2+][C@H]([C@H]2CCOC2)C1 ZINC000158682621 344721601 /nfs/dbraw/zinc/72/16/01/344721601.db2.gz IWRYKPDYKGAASP-IUCAKERBSA-N 1 2 219.306 -0.200 10 0 BBAELO O=S1(=O)CCC[NH2+][C@@H]([C@H]2CCOC2)C1 ZINC000158682800 344721459 /nfs/dbraw/zinc/72/14/59/344721459.db2.gz IWRYKPDYKGAASP-DTWKUNHWSA-N 1 2 219.306 -0.200 10 0 BBAELO COC(=O)CCC[N@H+]1CCOC[C@@H]1CO ZINC000159107669 347117969 /nfs/dbraw/zinc/11/79/69/347117969.db2.gz MOHRCQSOOCTWES-VIFPVBQESA-N 1 2 217.265 -0.367 10 0 BBAELO COC(=O)CCC[N@@H+]1CCOC[C@@H]1CO ZINC000159107669 347117965 /nfs/dbraw/zinc/11/79/65/347117965.db2.gz MOHRCQSOOCTWES-VIFPVBQESA-N 1 2 217.265 -0.367 10 0 BBAELO COC(C[N@H+]1CCOC[C@@H]1CO)OC ZINC000159121367 641666175 /nfs/dbraw/zinc/66/61/75/641666175.db2.gz LKAHXUPKNMDEKM-QMMMGPOBSA-N 1 2 205.254 -0.702 10 0 BBAELO COC(C[N@@H+]1CCOC[C@@H]1CO)OC ZINC000159121367 641666170 /nfs/dbraw/zinc/66/61/70/641666170.db2.gz LKAHXUPKNMDEKM-QMMMGPOBSA-N 1 2 205.254 -0.702 10 0 BBAELO CC(C)OC[C@H](O)C[N@H+]1CCOC[C@@H]1CO ZINC000159194399 488003242 /nfs/dbraw/zinc/00/32/42/488003242.db2.gz FNDOPTOVRAHFOE-WDEREUQCSA-N 1 2 233.308 -0.535 10 0 BBAELO CC(C)OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CO ZINC000159194399 488003241 /nfs/dbraw/zinc/00/32/41/488003241.db2.gz FNDOPTOVRAHFOE-WDEREUQCSA-N 1 2 233.308 -0.535 10 0 BBAELO CC(C)OC[C@@H](O)C[N@H+]1CCOC[C@@H]1CO ZINC000159194524 488003307 /nfs/dbraw/zinc/00/33/07/488003307.db2.gz FNDOPTOVRAHFOE-QWRGUYRKSA-N 1 2 233.308 -0.535 10 0 BBAELO CC(C)OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CO ZINC000159194524 488003303 /nfs/dbraw/zinc/00/33/03/488003303.db2.gz FNDOPTOVRAHFOE-QWRGUYRKSA-N 1 2 233.308 -0.535 10 0 BBAELO Cn1cc(C[N@H+]2CCOC[C@@H]2CO)cn1 ZINC000159241029 487772036 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488019115 /nfs/dbraw/zinc/01/91/15/488019115.db2.gz UESRKSVGMIVMHR-BDAKNGLRSA-N 1 2 216.281 -0.844 10 0 BBAELO COCCOCC[N@H+]1CCOC[C@@H]1CO ZINC000159288418 488019571 /nfs/dbraw/zinc/01/95/71/488019571.db2.gz XNMFAJFGBJWHNV-JTQLQIEISA-N 1 2 219.281 -0.658 10 0 BBAELO COCCOCC[N@@H+]1CCOC[C@@H]1CO ZINC000159288418 488019567 /nfs/dbraw/zinc/01/95/67/488019567.db2.gz XNMFAJFGBJWHNV-JTQLQIEISA-N 1 2 219.281 -0.658 10 0 BBAELO Cn1c[nH+]cc1CN1CCOC[C@@H]1CO ZINC000159295173 488020110 /nfs/dbraw/zinc/02/01/10/488020110.db2.gz QCLHVTRNKBKFLW-JTQLQIEISA-N 1 2 211.265 -0.387 10 0 BBAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159316224 206088946 /nfs/dbraw/zinc/08/89/46/206088946.db2.gz DHYCXKNZPIHSHC-NXEZZACHSA-N 1 2 243.307 -0.595 10 0 BBAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159316224 206088941 /nfs/dbraw/zinc/08/89/41/206088941.db2.gz DHYCXKNZPIHSHC-NXEZZACHSA-N 1 2 243.307 -0.595 10 0 BBAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCOC2)C1 ZINC000159316381 206087600 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JTHDEWHVFSGLAY-UHFFFAOYSA-N 1 2 233.318 -0.267 10 0 BBAELO CNc1nc(N)nc(C(F)(F)C[NH3+])n1 ZINC000307509063 352628501 /nfs/dbraw/zinc/62/85/01/352628501.db2.gz SLCSHQVMOIYYBR-UHFFFAOYSA-N 1 2 204.184 -0.454 10 0 BBAELO C[C@H]([NH2+]C1CS(=O)(=O)C1)c1cn[nH]c1 ZINC000307537431 352642830 /nfs/dbraw/zinc/64/28/30/352642830.db2.gz QTMOIOOHLXNIIX-LURJTMIESA-N 1 2 215.278 -0.143 10 0 BBAELO C[C@@H]([NH2+]C1CS(=O)(=O)C1)c1cn[nH]c1 ZINC000307537434 352642657 /nfs/dbraw/zinc/64/26/57/352642657.db2.gz QTMOIOOHLXNIIX-ZCFIWIBFSA-N 1 2 215.278 -0.143 10 0 BBAELO O=S1(=O)CC([NH2+]Cc2ccccn2)C1 ZINC000307540970 352645127 /nfs/dbraw/zinc/64/51/27/352645127.db2.gz WZCFKZGFGBQKCN-UHFFFAOYSA-N 1 2 212.274 -0.032 10 0 BBAELO O=S1(=O)CC([NH2+]Cc2cnns2)C1 ZINC000307541359 353082558 /nfs/dbraw/zinc/08/25/58/353082558.db2.gz XPCIHVXHOXTYDB-UHFFFAOYSA-N 1 2 219.291 -0.575 10 0 BBAELO Cc1nn(C)cc1C(=O)[C@H]1COCC[NH2+]1 ZINC000307594265 352664666 /nfs/dbraw/zinc/66/46/66/352664666.db2.gz JZHDDPWCELFKRH-SECBINFHSA-N 1 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BBAELO C[C@H]([C@H]([NH3+])c1ncnn1C)S(C)(=O)=O ZINC000307665194 352748878 /nfs/dbraw/zinc/74/88/78/352748878.db2.gz LMDBSGFBYISPCY-RITPCOANSA-N 1 2 218.282 -0.752 10 0 BBAELO C[C@@H]([C@H]([NH3+])c1ncnn1C)S(C)(=O)=O ZINC000307665195 352748793 /nfs/dbraw/zinc/74/87/93/352748793.db2.gz LMDBSGFBYISPCY-WDSKDSINSA-N 1 2 218.282 -0.752 10 0 BBAELO CC[NH+]1CC(n2c(=O)[nH][nH]c2=S)C1 ZINC000307700502 353094315 /nfs/dbraw/zinc/09/43/15/353094315.db2.gz QIPHQVAPUKGGIK-UHFFFAOYSA-N 1 2 200.267 -0.263 10 0 BBAELO C[NH+]1CC(N2C(=S)N=NC2CO)C1 ZINC000307730491 353117280 /nfs/dbraw/zinc/11/72/80/353117280.db2.gz IFRIIKUDNHOOEU-UHFFFAOYSA-N 1 2 200.267 -0.454 10 0 BBAELO O=C(NC[C@@H]1C[C@@H](O)C[NH2+]1)C(F)(F)F ZINC000307756799 353130639 /nfs/dbraw/zinc/13/06/39/353130639.db2.gz IWCXDFQTSPTHLV-CRCLSJGQSA-N 1 2 212.171 -0.612 10 0 BBAELO OC[C@H]1COCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000307993912 488171289 /nfs/dbraw/zinc/17/12/89/488171289.db2.gz ZQMPNXOBBFFUTL-JGVFFNPUSA-N 1 2 243.225 -0.007 10 0 BBAELO OC[C@H]1COCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000307993912 488171287 /nfs/dbraw/zinc/17/12/87/488171287.db2.gz ZQMPNXOBBFFUTL-JGVFFNPUSA-N 1 2 243.225 -0.007 10 0 BBAELO OC[C@H]1COCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000307993917 488171406 /nfs/dbraw/zinc/17/14/06/488171406.db2.gz ZQMPNXOBBFFUTL-YUMQZZPRSA-N 1 2 243.225 -0.007 10 0 BBAELO OC[C@H]1COCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307993917 488171403 /nfs/dbraw/zinc/17/14/03/488171403.db2.gz ZQMPNXOBBFFUTL-YUMQZZPRSA-N 1 2 243.225 -0.007 10 0 BBAELO COC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000308567017 384817569 /nfs/dbraw/zinc/81/75/69/384817569.db2.gz BAKZVZDAWVNLFM-BQBZGAKWSA-N 1 2 200.238 -0.584 10 0 BBAELO COC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308567019 346884209 /nfs/dbraw/zinc/88/42/09/346884209.db2.gz BAKZVZDAWVNLFM-NKWVEPMBSA-N 1 2 200.238 -0.584 10 0 BBAELO COC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308567020 411381401 /nfs/dbraw/zinc/38/14/01/411381401.db2.gz BAKZVZDAWVNLFM-RNFRBKRXSA-N 1 2 200.238 -0.584 10 0 BBAELO COC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308567022 384816246 /nfs/dbraw/zinc/81/62/46/384816246.db2.gz BAKZVZDAWVNLFM-RQJHMYQMSA-N 1 2 200.238 -0.584 10 0 BBAELO COC(=O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000308593924 384835281 /nfs/dbraw/zinc/83/52/81/384835281.db2.gz XHFWQUAACATQMA-JGVFFNPUSA-N 1 2 203.238 -0.759 10 0 BBAELO COC(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308593924 384835273 /nfs/dbraw/zinc/83/52/73/384835273.db2.gz XHFWQUAACATQMA-JGVFFNPUSA-N 1 2 203.238 -0.759 10 0 BBAELO COC(=O)C=CNCC[NH+]1CCOCC1 ZINC000308781865 348550806 /nfs/dbraw/zinc/55/08/06/348550806.db2.gz QVDAIFJTKOHQPB-IHWYPQMZSA-N 1 2 214.265 -0.405 10 0 BBAELO COC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308905085 385277261 /nfs/dbraw/zinc/27/72/61/385277261.db2.gz CHTIXDXMLVGSMA-BIIVOSGPSA-N 1 2 214.265 -0.195 10 0 BBAELO COC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308905088 173786404 /nfs/dbraw/zinc/78/64/04/173786404.db2.gz CHTIXDXMLVGSMA-CSMHCCOUSA-N 1 2 214.265 -0.195 10 0 BBAELO 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537972896 /nfs/dbraw/zinc/97/28/96/537972896.db2.gz RUSUOMZJQNNGHS-NXEZZACHSA-N 1 2 228.292 -0.371 10 0 BBAELO O=C([O-])[C@@H]1C[NH2+]C[C@@H](C[NH+]2CCOCC2)C1 ZINC000669379000 537972825 /nfs/dbraw/zinc/97/28/25/537972825.db2.gz RUSUOMZJQNNGHS-UWVGGRQHSA-N 1 2 228.292 -0.371 10 0 BBAELO O=C([O-])[C@H]1C[NH2+]C[C@@H](C[NH+]2CCOCC2)C1 ZINC000669379001 537973446 /nfs/dbraw/zinc/97/34/46/537973446.db2.gz RUSUOMZJQNNGHS-VHSXEESVSA-N 1 2 228.292 -0.371 10 0 BBAELO O=C([O-])[C@@H]1C[NH2+]C[C@H](C[NH+]2CCOCC2)C1 ZINC000669379002 537972611 /nfs/dbraw/zinc/97/26/11/537972611.db2.gz RUSUOMZJQNNGHS-ZJUUUORDSA-N 1 2 228.292 -0.371 10 0 BBAELO COC(=O)CNC[C@]1(O)CC[NH2+]CC1(F)F ZINC000669383372 538010695 /nfs/dbraw/zinc/01/06/95/538010695.db2.gz UNHXLOIJGQKTJB-MRVPVSSYSA-N 1 2 238.234 -0.891 10 0 BBAELO COC(=O)CNC[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669383374 538011306 /nfs/dbraw/zinc/01/13/06/538011306.db2.gz UNHXLOIJGQKTJB-QMMMGPOBSA-N 1 2 238.234 -0.891 10 0 BBAELO 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[NH3+][C@H](Cc1cn(CCF)c[nH+]1)C(=O)[O-] ZINC000757131450 586426020 /nfs/dbraw/zinc/42/60/20/586426020.db2.gz KQGLCUJIGOYMSP-SSDOTTSWSA-N 1 2 201.201 -0.193 10 0 BBAELO [NH3+][C@@H](Cc1cn(CCF)c[nH+]1)C(=O)[O-] ZINC000757131456 586426353 /nfs/dbraw/zinc/42/63/53/586426353.db2.gz KQGLCUJIGOYMSP-ZETCQYMHSA-N 1 2 201.201 -0.193 10 0 BBAELO CN1CCOC[C@@]12C[NH2+]C1(COC1)OC2 ZINC000757138382 582517868 /nfs/dbraw/zinc/51/78/68/582517868.db2.gz BTCNAJSMVGQCQH-SECBINFHSA-N 1 2 214.265 -0.967 10 0 BBAELO CN1CCOC[C@]12C[NH2+]C1(COC1)OC2 ZINC000757138383 582518203 /nfs/dbraw/zinc/51/82/03/582518203.db2.gz BTCNAJSMVGQCQH-VIFPVBQESA-N 1 2 214.265 -0.967 10 0 BBAELO COC(=O)CCC[N@H+]1CC[C@@H]1C(N)=O ZINC000757139270 582519578 /nfs/dbraw/zinc/51/95/78/582519578.db2.gz AKJOPGQWBBEXNJ-SSDOTTSWSA-N 1 2 200.238 -0.501 10 0 BBAELO COC(=O)CCC[N@@H+]1CC[C@@H]1C(N)=O ZINC000757139270 582519576 /nfs/dbraw/zinc/51/95/76/582519576.db2.gz AKJOPGQWBBEXNJ-SSDOTTSWSA-N 1 2 200.238 -0.501 10 0 BBAELO 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