smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NCCO)nc(NCCO)[nH+]1 ZINC000005783400 180017423 /nfs/dbraw/zinc/01/74/23/180017423.db2.gz IMDKUSBWMYZSBV-UHFFFAOYSA-N 1 2 213.241 -1.012 20 0 BAADLO CCNC(=O)C[N@@H+](CC)CC(=O)NC(N)=O ZINC000016344915 342909970 /nfs/dbraw/zinc/90/99/70/342909970.db2.gz KOROXVYOZYJFIY-UHFFFAOYSA-N 1 2 230.268 -1.361 20 0 BAADLO CCNC(=O)C[N@H+](CC)CC(=O)NC(N)=O ZINC000016344915 342909969 /nfs/dbraw/zinc/90/99/69/342909969.db2.gz KOROXVYOZYJFIY-UHFFFAOYSA-N 1 2 230.268 -1.361 20 0 BAADLO CCNC(=O)C[N@@H+](CC)CC(=O)NC(=O)NC ZINC000016344926 170056295 /nfs/dbraw/zinc/05/62/95/170056295.db2.gz MXJIZSDBWDCMOZ-UHFFFAOYSA-N 1 2 244.295 -1.100 20 0 BAADLO CCNC(=O)C[N@H+](CC)CC(=O)NC(=O)NC ZINC000016344926 170056293 /nfs/dbraw/zinc/05/62/93/170056293.db2.gz MXJIZSDBWDCMOZ-UHFFFAOYSA-N 1 2 244.295 -1.100 20 0 BAADLO C[N@H+](CC(=O)NC(N)=O)CC(=O)NC1CC1 ZINC000016352479 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CS(=O)(=O)NCC[N@H+]1CCC[C@H]1C(N)=O ZINC000107367589 385195586 /nfs/dbraw/zinc/19/55/86/385195586.db2.gz YKMRSJSWPFCSPS-ZETCQYMHSA-N 1 2 235.309 -1.515 20 0 BAADLO CS(=O)(=O)NCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000107367589 385195579 /nfs/dbraw/zinc/19/55/79/385195579.db2.gz YKMRSJSWPFCSPS-ZETCQYMHSA-N 1 2 235.309 -1.515 20 0 BAADLO CNS(=O)(=O)CCC[N@H+]1CCNC(=O)[C@H]1C ZINC000111216853 384580082 /nfs/dbraw/zinc/58/00/82/384580082.db2.gz LPPKNQWEHJSEAE-MRVPVSSYSA-N 1 2 249.336 -1.254 20 0 BAADLO CNS(=O)(=O)CCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000111216853 384580076 /nfs/dbraw/zinc/58/00/76/384580076.db2.gz LPPKNQWEHJSEAE-MRVPVSSYSA-N 1 2 249.336 -1.254 20 0 BAADLO CNS(=O)(=O)CCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000111216855 384578452 /nfs/dbraw/zinc/57/84/52/384578452.db2.gz LPPKNQWEHJSEAE-QMMMGPOBSA-N 1 2 249.336 -1.254 20 0 BAADLO CNS(=O)(=O)CCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000111216855 384578447 /nfs/dbraw/zinc/57/84/47/384578447.db2.gz LPPKNQWEHJSEAE-QMMMGPOBSA-N 1 2 249.336 -1.254 20 0 BAADLO 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C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCCO2)C1 ZINC000194613055 367310176 /nfs/dbraw/zinc/31/01/76/367310176.db2.gz BBKDFMLLFQGWKT-UWVGGRQHSA-N 1 2 244.291 -1.151 20 0 BAADLO CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194621292 387888773 /nfs/dbraw/zinc/88/87/73/387888773.db2.gz JWLCFMATVUHHQM-SECBINFHSA-N 1 2 229.280 -1.431 20 0 BAADLO CC(=O)NCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194621292 387888765 /nfs/dbraw/zinc/88/87/65/387888765.db2.gz JWLCFMATVUHHQM-SECBINFHSA-N 1 2 229.280 -1.431 20 0 BAADLO CC(=O)NCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194621304 387888325 /nfs/dbraw/zinc/88/83/25/387888325.db2.gz JWLCFMATVUHHQM-VIFPVBQESA-N 1 2 229.280 -1.431 20 0 BAADLO CC(=O)NCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194621304 387888321 /nfs/dbraw/zinc/88/83/21/387888321.db2.gz JWLCFMATVUHHQM-VIFPVBQESA-N 1 2 229.280 -1.431 20 0 BAADLO C[N@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC000194621698 387888523 /nfs/dbraw/zinc/88/85/23/387888523.db2.gz NPUCIBCXXWHSJQ-MRVPVSSYSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@@H+]1CCO[C@H](CNC(=O)CCNC(N)=O)C1 ZINC000194621698 387888517 /nfs/dbraw/zinc/88/85/17/387888517.db2.gz NPUCIBCXXWHSJQ-MRVPVSSYSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC000194621712 387888931 /nfs/dbraw/zinc/88/89/31/387888931.db2.gz NPUCIBCXXWHSJQ-QMMMGPOBSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC000194621712 387888926 /nfs/dbraw/zinc/88/89/26/387888926.db2.gz NPUCIBCXXWHSJQ-QMMMGPOBSA-N 1 2 244.295 -1.508 20 0 BAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194635121 206101881 /nfs/dbraw/zinc/10/18/81/206101881.db2.gz CXALQTAARBTIJF-WCBMZHEXSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194635121 206101878 /nfs/dbraw/zinc/10/18/78/206101878.db2.gz CXALQTAARBTIJF-WCBMZHEXSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194635133 206102017 /nfs/dbraw/zinc/10/20/17/206102017.db2.gz CXALQTAARBTIJF-PSASIEDQSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194635133 206102011 /nfs/dbraw/zinc/10/20/11/206102011.db2.gz CXALQTAARBTIJF-PSASIEDQSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194635148 206101963 /nfs/dbraw/zinc/10/19/63/206101963.db2.gz CXALQTAARBTIJF-WPRPVWTQSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194635148 206101957 /nfs/dbraw/zinc/10/19/57/206101957.db2.gz CXALQTAARBTIJF-WPRPVWTQSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194635166 206101903 /nfs/dbraw/zinc/10/19/03/206101903.db2.gz CXALQTAARBTIJF-SCZZXKLOSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(=O)N[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194635166 206101897 /nfs/dbraw/zinc/10/18/97/206101897.db2.gz CXALQTAARBTIJF-SCZZXKLOSA-N 1 2 243.307 -1.042 20 0 BAADLO C[C@@H](NC(N)=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194725626 387893930 /nfs/dbraw/zinc/89/39/30/387893930.db2.gz 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/nfs/dbraw/zinc/11/46/32/348114632.db2.gz RZWXDBCVEABADV-UHFFFAOYSA-N 1 2 223.298 -1.546 20 0 BAADLO C[N@@H+](CC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000212972391 344133936 /nfs/dbraw/zinc/13/39/36/344133936.db2.gz UNXCPHKFNNUARK-SSDOTTSWSA-N 1 2 235.309 -1.563 20 0 BAADLO C[N@H+](CC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000212972391 344133933 /nfs/dbraw/zinc/13/39/33/344133933.db2.gz UNXCPHKFNNUARK-SSDOTTSWSA-N 1 2 235.309 -1.563 20 0 BAADLO C[N@@H+](CC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000212972459 411293274 /nfs/dbraw/zinc/29/32/74/411293274.db2.gz UNXCPHKFNNUARK-ZETCQYMHSA-N 1 2 235.309 -1.563 20 0 BAADLO C[N@H+](CC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000212972459 411293273 /nfs/dbraw/zinc/29/32/73/411293273.db2.gz UNXCPHKFNNUARK-ZETCQYMHSA-N 1 2 235.309 -1.563 20 0 BAADLO [NH3+][C@@H]1CC(=O)N(CCOCCO)C1=O ZINC000216551526 342838494 /nfs/dbraw/zinc/83/84/94/342838494.db2.gz NOTXWNCDCYBUMK-ZCFIWIBFSA-N 1 2 202.210 -1.919 20 0 BAADLO COC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000221141172 383959397 /nfs/dbraw/zinc/95/93/97/383959397.db2.gz CWNBBIQANIUYFP-SCZZXKLOSA-N 1 2 233.264 -1.397 20 0 BAADLO COC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000221141172 383959391 /nfs/dbraw/zinc/95/93/91/383959391.db2.gz CWNBBIQANIUYFP-SCZZXKLOSA-N 1 2 233.264 -1.397 20 0 BAADLO COC(=O)[C@](C)(O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000221141220 383959623 /nfs/dbraw/zinc/95/96/23/383959623.db2.gz CWNBBIQANIUYFP-PSASIEDQSA-N 1 2 233.264 -1.397 20 0 BAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000221141220 383959612 /nfs/dbraw/zinc/95/96/12/383959612.db2.gz CWNBBIQANIUYFP-PSASIEDQSA-N 1 2 233.264 -1.397 20 0 BAADLO CNC(=O)N1CC[NH+](CCOCCO)CC1 ZINC000221486120 345747613 /nfs/dbraw/zinc/74/76/13/345747613.db2.gz LZWPRFYINWBAKV-UHFFFAOYSA-N 1 2 231.296 -1.048 20 0 BAADLO O=C1CN(CC[NH+]2CCOCC2)CCN1 ZINC000225002221 350347312 /nfs/dbraw/zinc/34/73/12/350347312.db2.gz LWLXIGLJGRZVLW-UHFFFAOYSA-N 1 2 213.281 -1.250 20 0 BAADLO COC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226085635 174493614 /nfs/dbraw/zinc/49/36/14/174493614.db2.gz SNHKGCYMCNHPFR-DTWKUNHWSA-N 1 2 233.264 -1.133 20 0 BAADLO COC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226085635 174493612 /nfs/dbraw/zinc/49/36/12/174493612.db2.gz SNHKGCYMCNHPFR-DTWKUNHWSA-N 1 2 233.264 -1.133 20 0 BAADLO COC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226085646 388700421 /nfs/dbraw/zinc/70/04/21/388700421.db2.gz SNHKGCYMCNHPFR-RKDXNWHRSA-N 1 2 233.264 -1.133 20 0 BAADLO COC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000226085646 388700419 /nfs/dbraw/zinc/70/04/19/388700419.db2.gz SNHKGCYMCNHPFR-RKDXNWHRSA-N 1 2 233.264 -1.133 20 0 BAADLO COC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226575681 388723157 /nfs/dbraw/zinc/72/31/57/388723157.db2.gz RKQRBBWPWHEQRZ-XHNCKOQMSA-N 1 2 233.264 -1.398 20 0 BAADLO COC[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226575681 388723154 /nfs/dbraw/zinc/72/31/54/388723154.db2.gz RKQRBBWPWHEQRZ-XHNCKOQMSA-N 1 2 233.264 -1.398 20 0 BAADLO COC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226575689 388722458 /nfs/dbraw/zinc/72/24/58/388722458.db2.gz RKQRBBWPWHEQRZ-DJLDLDEBSA-N 1 2 233.264 -1.398 20 0 BAADLO COC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226575689 388722456 /nfs/dbraw/zinc/72/24/56/388722456.db2.gz RKQRBBWPWHEQRZ-DJLDLDEBSA-N 1 2 233.264 -1.398 20 0 BAADLO CCOC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226578814 134367209 /nfs/dbraw/zinc/36/72/09/134367209.db2.gz XLJWTPIWOYVMDQ-IVZWLZJFSA-N 1 2 247.291 -1.008 20 0 BAADLO CCOC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000226578814 134367208 /nfs/dbraw/zinc/36/72/08/134367208.db2.gz XLJWTPIWOYVMDQ-IVZWLZJFSA-N 1 2 247.291 -1.008 20 0 BAADLO CN1CC[C@@H]([N@H+]2CCO[C@@H](CO)C2)C1=O ZINC000226814252 388355262 /nfs/dbraw/zinc/35/52/62/388355262.db2.gz QMVPXDSLPCRAFM-RKDXNWHRSA-N 1 2 214.265 -1.090 20 0 BAADLO CN1CC[C@@H]([N@@H+]2CCO[C@@H](CO)C2)C1=O ZINC000226814252 388355259 /nfs/dbraw/zinc/35/52/59/388355259.db2.gz QMVPXDSLPCRAFM-RKDXNWHRSA-N 1 2 214.265 -1.090 20 0 BAADLO CN1CC[C@H]([N@H+]2CCO[C@@H](CO)C2)C1=O ZINC000226814258 388355551 /nfs/dbraw/zinc/35/55/51/388355551.db2.gz QMVPXDSLPCRAFM-BDAKNGLRSA-N 1 2 214.265 -1.090 20 0 BAADLO CN1CC[C@H]([N@@H+]2CCO[C@@H](CO)C2)C1=O ZINC000226814258 388355550 /nfs/dbraw/zinc/35/55/50/388355550.db2.gz QMVPXDSLPCRAFM-BDAKNGLRSA-N 1 2 214.265 -1.090 20 0 BAADLO CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](CO)C1 ZINC000226814396 388355130 /nfs/dbraw/zinc/35/51/30/388355130.db2.gz COKPQRLPVIZSFC-SFYZADRCSA-N 1 2 202.254 -1.057 20 0 BAADLO CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226814396 388355129 /nfs/dbraw/zinc/35/51/29/388355129.db2.gz COKPQRLPVIZSFC-SFYZADRCSA-N 1 2 202.254 -1.057 20 0 BAADLO CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](CO)C1 ZINC000226814405 388355198 /nfs/dbraw/zinc/35/51/98/388355198.db2.gz COKPQRLPVIZSFC-HTQZYQBOSA-N 1 2 202.254 -1.057 20 0 BAADLO CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226814405 388355194 /nfs/dbraw/zinc/35/51/94/388355194.db2.gz COKPQRLPVIZSFC-HTQZYQBOSA-N 1 2 202.254 -1.057 20 0 BAADLO COC(=O)[C@](C)(O)C[N@H+]1CCNC(=O)[C@@H]1C ZINC000227070803 388358966 /nfs/dbraw/zinc/35/89/66/388358966.db2.gz IARWKRJHPNNYTF-OIBJUYFYSA-N 1 2 230.264 -1.269 20 0 BAADLO COC(=O)[C@](C)(O)C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000227070803 388358963 /nfs/dbraw/zinc/35/89/63/388358963.db2.gz IARWKRJHPNNYTF-OIBJUYFYSA-N 1 2 230.264 -1.269 20 0 BAADLO CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000227099498 640815531 /nfs/dbraw/zinc/81/55/31/640815531.db2.gz YPEOIZZQEAYAFZ-DTORHVGOSA-N 1 2 237.321 -1.153 20 0 BAADLO CC(C)S(=O)(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000227099498 640815530 /nfs/dbraw/zinc/81/55/30/640815530.db2.gz YPEOIZZQEAYAFZ-DTORHVGOSA-N 1 2 237.321 -1.153 20 0 BAADLO CC[C@H](C(N)=O)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000227616936 388368253 /nfs/dbraw/zinc/36/82/53/388368253.db2.gz XZPUCWMKRBIMIR-JGVFFNPUSA-N 1 2 226.280 -1.040 20 0 BAADLO 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238.295 -1.275 20 0 BAADLO Cn1nnc(CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328686876 173105430 /nfs/dbraw/zinc/10/54/30/173105430.db2.gz YNPDPGABBARDLN-DTWKUNHWSA-N 1 2 238.295 -1.275 20 0 BAADLO Cn1nnc(CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328686877 386610324 /nfs/dbraw/zinc/61/03/24/386610324.db2.gz YNPDPGABBARDLN-IUCAKERBSA-N 1 2 238.295 -1.275 20 0 BAADLO Cn1nnc(CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328686877 386610318 /nfs/dbraw/zinc/61/03/18/386610318.db2.gz YNPDPGABBARDLN-IUCAKERBSA-N 1 2 238.295 -1.275 20 0 BAADLO Cn1nnc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328686879 173105527 /nfs/dbraw/zinc/10/55/27/173105527.db2.gz YNPDPGABBARDLN-RKDXNWHRSA-N 1 2 238.295 -1.275 20 0 BAADLO Cn1nnc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328686879 173105525 /nfs/dbraw/zinc/10/55/25/173105525.db2.gz YNPDPGABBARDLN-RKDXNWHRSA-N 1 2 238.295 -1.275 20 0 BAADLO OC1CN(c2cc(N3CC(O)C3)[nH+]cn2)C1 ZINC000328776679 183030956 /nfs/dbraw/zinc/03/09/56/183030956.db2.gz 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386844149 /nfs/dbraw/zinc/84/41/49/386844149.db2.gz UPOJNDPHVSBWKZ-IUCAKERBSA-N 1 2 238.295 -1.275 20 0 BAADLO Cn1nnnc1CN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000330281405 173104478 /nfs/dbraw/zinc/10/44/78/173104478.db2.gz UPOJNDPHVSBWKZ-RKDXNWHRSA-N 1 2 238.295 -1.275 20 0 BAADLO Cn1nnnc1CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000330281405 173104474 /nfs/dbraw/zinc/10/44/74/173104474.db2.gz UPOJNDPHVSBWKZ-RKDXNWHRSA-N 1 2 238.295 -1.275 20 0 BAADLO CCOC[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000330414565 387010162 /nfs/dbraw/zinc/01/01/62/387010162.db2.gz UBTVDEPTGSPQHP-MRVPVSSYSA-N 1 2 202.254 -1.184 20 0 BAADLO CCOC[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000330414565 387010158 /nfs/dbraw/zinc/01/01/58/387010158.db2.gz UBTVDEPTGSPQHP-MRVPVSSYSA-N 1 2 202.254 -1.184 20 0 BAADLO CCOC[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000330414569 386706752 /nfs/dbraw/zinc/70/67/52/386706752.db2.gz UBTVDEPTGSPQHP-QMMMGPOBSA-N 1 2 202.254 -1.184 20 0 BAADLO CCOC[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000330414569 386706743 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CNS(=O)(=O)NCc1[nH+]ccn1C ZINC000379399212 538106038 /nfs/dbraw/zinc/10/60/38/538106038.db2.gz GOCJRSZDWKPEIE-UHFFFAOYSA-N 1 2 204.255 -1.026 20 0 BAADLO Cc1nc(N)nc(NCC(=O)N(C)C)[nH+]1 ZINC000379818708 411945051 /nfs/dbraw/zinc/94/50/51/411945051.db2.gz RQHCKIAJVLRFRF-UHFFFAOYSA-N 1 2 210.241 -1.316 20 0 BAADLO Cc1nc(NCC(=O)N(C)C)nc(N)[nH+]1 ZINC000379818708 411945045 /nfs/dbraw/zinc/94/50/45/411945045.db2.gz RQHCKIAJVLRFRF-UHFFFAOYSA-N 1 2 210.241 -1.316 20 0 BAADLO Cc1nc(N)nc(NCCn2cncn2)[nH+]1 ZINC000381193713 710608281 /nfs/dbraw/zinc/60/82/81/710608281.db2.gz URTWOEULBGJJJJ-UHFFFAOYSA-N 1 2 220.240 -1.282 20 0 BAADLO Cc1nc(NCCn2cncn2)nc(N)[nH+]1 ZINC000381193713 710608276 /nfs/dbraw/zinc/60/82/76/710608276.db2.gz URTWOEULBGJJJJ-UHFFFAOYSA-N 1 2 220.240 -1.282 20 0 BAADLO C[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000381344965 398253588 /nfs/dbraw/zinc/25/35/88/398253588.db2.gz YSWFXFSMEXKMMW-BDAKNGLRSA-N 1 2 214.313 -1.318 20 0 BAADLO C[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000381344967 398253686 /nfs/dbraw/zinc/25/36/86/398253686.db2.gz YSWFXFSMEXKMMW-DTWKUNHWSA-N 1 2 214.313 -1.318 20 0 BAADLO C[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000381344969 398253569 /nfs/dbraw/zinc/25/35/69/398253569.db2.gz YSWFXFSMEXKMMW-IUCAKERBSA-N 1 2 214.313 -1.318 20 0 BAADLO C[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000381344970 398253653 /nfs/dbraw/zinc/25/36/53/398253653.db2.gz YSWFXFSMEXKMMW-RKDXNWHRSA-N 1 2 214.313 -1.318 20 0 BAADLO C[N@H+]1CCN(C(=O)CCC[NH3+])[C@H](C[NH3+])C1 ZINC000381373346 367390138 /nfs/dbraw/zinc/39/01/38/367390138.db2.gz IFGARKVEADSEPH-SECBINFHSA-N 1 2 214.313 -1.173 20 0 BAADLO C[N@H+]1CCN(C(=O)CCC[NH3+])[C@@H](C[NH3+])C1 ZINC000381373355 367390227 /nfs/dbraw/zinc/39/02/27/367390227.db2.gz IFGARKVEADSEPH-VIFPVBQESA-N 1 2 214.313 -1.173 20 0 BAADLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nnnn1C ZINC000381728350 344585626 /nfs/dbraw/zinc/58/56/26/344585626.db2.gz MYLHRZJTRVHESQ-HTRCEHHLSA-N 1 2 224.268 -1.176 20 0 BAADLO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nnnn1C ZINC000381728367 344585882 /nfs/dbraw/zinc/58/58/82/344585882.db2.gz MYLHRZJTRVHESQ-POYBYMJQSA-N 1 2 224.268 -1.176 20 0 BAADLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1nnnn1C ZINC000381728383 344585761 /nfs/dbraw/zinc/58/57/61/344585761.db2.gz MYLHRZJTRVHESQ-SVRRBLITSA-N 1 2 224.268 -1.176 20 0 BAADLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nnnn1C ZINC000381728399 344585658 /nfs/dbraw/zinc/58/56/58/344585658.db2.gz MYLHRZJTRVHESQ-XPUUQOCRSA-N 1 2 224.268 -1.176 20 0 BAADLO CN(C)S(=O)(=O)CC[NH2+]Cc1cnn(C)n1 ZINC000381862386 710756639 /nfs/dbraw/zinc/75/66/39/710756639.db2.gz WMYGJRSVXAYSOP-UHFFFAOYSA-N 1 2 247.324 -1.204 20 0 BAADLO CCS(=O)(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC000382429907 711760419 /nfs/dbraw/zinc/76/04/19/711760419.db2.gz ZNBPDZACNYUBHF-UHFFFAOYSA-N 1 2 247.324 -1.156 20 0 BAADLO COC[C@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000382539897 397956259 /nfs/dbraw/zinc/95/62/59/397956259.db2.gz CXQDWMSHFAUYCV-SECBINFHSA-N 1 2 227.268 -1.176 20 0 BAADLO COC[C@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000382539897 397956256 /nfs/dbraw/zinc/95/62/56/397956256.db2.gz CXQDWMSHFAUYCV-SECBINFHSA-N 1 2 227.268 -1.176 20 0 BAADLO COC[C@@](C)(O)CNc1nc(N)nc(C)[nH+]1 ZINC000382539898 397955826 /nfs/dbraw/zinc/95/58/26/397955826.db2.gz CXQDWMSHFAUYCV-VIFPVBQESA-N 1 2 227.268 -1.176 20 0 BAADLO COC[C@@](C)(O)CNc1nc(C)[nH+]c(N)n1 ZINC000382539898 397955821 /nfs/dbraw/zinc/95/58/21/397955821.db2.gz CXQDWMSHFAUYCV-VIFPVBQESA-N 1 2 227.268 -1.176 20 0 BAADLO O=C(N[C@@H]1CCC[N@H+](CCO)C1)c1cnn[nH]1 ZINC000384427072 710992876 /nfs/dbraw/zinc/99/28/76/710992876.db2.gz DKNRQDKXYYWTTH-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)c1cnn[nH]1 ZINC000384427072 710992872 /nfs/dbraw/zinc/99/28/72/710992872.db2.gz DKNRQDKXYYWTTH-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CCC[N@H+](CCO)C1)c1cnn[nH]1 ZINC000384427075 710915581 /nfs/dbraw/zinc/91/55/81/710915581.db2.gz DKNRQDKXYYWTTH-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1cnn[nH]1 ZINC000384427075 710915577 /nfs/dbraw/zinc/91/55/77/710915577.db2.gz DKNRQDKXYYWTTH-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@@H]1CCC[N@H+](CCO)C1)c1nc[nH]n1 ZINC000384539428 710917126 /nfs/dbraw/zinc/91/71/26/710917126.db2.gz GHMYCIZBWKCSQV-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)c1nc[nH]n1 ZINC000384539428 710917123 /nfs/dbraw/zinc/91/71/23/710917123.db2.gz GHMYCIZBWKCSQV-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)c1ncn[nH]1 ZINC000384539428 710917114 /nfs/dbraw/zinc/91/71/14/710917114.db2.gz GHMYCIZBWKCSQV-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CCC[N@H+](CCO)C1)c1nc[nH]n1 ZINC000384539429 710915921 /nfs/dbraw/zinc/91/59/21/710915921.db2.gz GHMYCIZBWKCSQV-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1nc[nH]n1 ZINC000384539429 710915917 /nfs/dbraw/zinc/91/59/17/710915917.db2.gz GHMYCIZBWKCSQV-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1ncn[nH]1 ZINC000384539429 710915914 /nfs/dbraw/zinc/91/59/14/710915914.db2.gz GHMYCIZBWKCSQV-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO Cc1nc(N)nc(N2CC(=O)N[C@H](C)C2)[nH+]1 ZINC000387019497 398225052 /nfs/dbraw/zinc/22/50/52/398225052.db2.gz OODTXINDKQKCKY-RXMQYKEDSA-N 1 2 222.252 -1.083 20 0 BAADLO Cc1nc(N2CC(=O)N[C@H](C)C2)nc(N)[nH+]1 ZINC000387019497 398225048 /nfs/dbraw/zinc/22/50/48/398225048.db2.gz OODTXINDKQKCKY-RXMQYKEDSA-N 1 2 222.252 -1.083 20 0 BAADLO Cc1nc(N)nc(N2CC(=O)N[C@@H](C)C2)[nH+]1 ZINC000387019499 398225476 /nfs/dbraw/zinc/22/54/76/398225476.db2.gz OODTXINDKQKCKY-YFKPBYRVSA-N 1 2 222.252 -1.083 20 0 BAADLO Cc1nc(N2CC(=O)N[C@@H](C)C2)nc(N)[nH+]1 ZINC000387019499 398225475 /nfs/dbraw/zinc/22/54/75/398225475.db2.gz OODTXINDKQKCKY-YFKPBYRVSA-N 1 2 222.252 -1.083 20 0 BAADLO COC(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000387362205 711043094 /nfs/dbraw/zinc/04/30/94/711043094.db2.gz DRNNCEVHGOBIHX-MRVPVSSYSA-N 1 2 218.253 -1.276 20 0 BAADLO COC(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000387362209 711042846 /nfs/dbraw/zinc/04/28/46/711042846.db2.gz DRNNCEVHGOBIHX-QMMMGPOBSA-N 1 2 218.253 -1.276 20 0 BAADLO CC1(C)C[N@@H+](Cc2nc(N)nc(N)n2)C[C@@H]1O ZINC000387892806 347121220 /nfs/dbraw/zinc/12/12/20/347121220.db2.gz RXWFONXAJWQGDO-LURJTMIESA-N 1 2 238.295 -1.101 20 0 BAADLO CC1(C)C[N@H+](Cc2nc(N)nc(N)n2)C[C@@H]1O ZINC000387892806 347121219 /nfs/dbraw/zinc/12/12/19/347121219.db2.gz RXWFONXAJWQGDO-LURJTMIESA-N 1 2 238.295 -1.101 20 0 BAADLO CC1(C)C[N@@H+](Cc2nc(N)nc(N)n2)C[C@H]1O ZINC000387892809 347120970 /nfs/dbraw/zinc/12/09/70/347120970.db2.gz RXWFONXAJWQGDO-ZCFIWIBFSA-N 1 2 238.295 -1.101 20 0 BAADLO CC1(C)C[N@H+](Cc2nc(N)nc(N)n2)C[C@H]1O ZINC000387892809 347120968 /nfs/dbraw/zinc/12/09/68/347120968.db2.gz RXWFONXAJWQGDO-ZCFIWIBFSA-N 1 2 238.295 -1.101 20 0 BAADLO C[C@@H](O)C[N@@H+](CCO)Cc1cnn(C)n1 ZINC000389683108 711086976 /nfs/dbraw/zinc/08/69/76/711086976.db2.gz FUFPVOKHSPRCGQ-MRVPVSSYSA-N 1 2 214.269 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+](CCO)Cc1cnn(C)n1 ZINC000389683108 711086975 /nfs/dbraw/zinc/08/69/75/711086975.db2.gz FUFPVOKHSPRCGQ-MRVPVSSYSA-N 1 2 214.269 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+](CCO)Cc1cnn(C)n1 ZINC000389683117 711086634 /nfs/dbraw/zinc/08/66/34/711086634.db2.gz FUFPVOKHSPRCGQ-QMMMGPOBSA-N 1 2 214.269 -1.010 20 0 BAADLO C[C@H](O)C[N@H+](CCO)Cc1cnn(C)n1 ZINC000389683117 711086631 /nfs/dbraw/zinc/08/66/31/711086631.db2.gz FUFPVOKHSPRCGQ-QMMMGPOBSA-N 1 2 214.269 -1.010 20 0 BAADLO CNC(=O)[C@H](O)CNc1cc[nH+]c(C)n1 ZINC000389863567 711093777 /nfs/dbraw/zinc/09/37/77/711093777.db2.gz FPAPLIYPZCDXCH-SSDOTTSWSA-N 1 2 210.237 -1.274 20 0 BAADLO CNC(=O)[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC000389863568 711094314 /nfs/dbraw/zinc/09/43/14/711094314.db2.gz FPAPLIYPZCDXCH-ZETCQYMHSA-N 1 2 210.237 -1.274 20 0 BAADLO O=S(=O)(NC[C@@H]1COCC[NH2+]1)c1ncc[nH]1 ZINC000390583742 346133757 /nfs/dbraw/zinc/13/37/57/346133757.db2.gz QBELBLQCNTUDBU-SSDOTTSWSA-N 1 2 246.292 -1.324 20 0 BAADLO O=S(=O)(NC[C@H]1COCC[NH2+]1)c1ncc[nH]1 ZINC000390583745 347398322 /nfs/dbraw/zinc/39/83/22/347398322.db2.gz QBELBLQCNTUDBU-ZETCQYMHSA-N 1 2 246.292 -1.324 20 0 BAADLO CCNS(=O)(=O)CC[NH2+]Cc1cnn(C)n1 ZINC000390796996 712427702 /nfs/dbraw/zinc/42/77/02/712427702.db2.gz STKIFQGUSRBZIA-UHFFFAOYSA-N 1 2 247.324 -1.156 20 0 BAADLO O=C(CNC(=O)[C@H]1COCC[NH2+]1)NCC1CC1 ZINC000393144373 259483029 /nfs/dbraw/zinc/48/30/29/259483029.db2.gz QTNVDWLSMGGICW-SECBINFHSA-N 1 2 241.291 -1.383 20 0 BAADLO O=C(CNC(=O)[C@@H]1COCC[NH2+]1)NCC1CC1 ZINC000393144374 387346306 /nfs/dbraw/zinc/34/63/06/387346306.db2.gz QTNVDWLSMGGICW-VIFPVBQESA-N 1 2 241.291 -1.383 20 0 BAADLO CC(CO)(CO)CNC(=O)Cn1cc[nH+]c1 ZINC000393891217 388444865 /nfs/dbraw/zinc/44/48/65/388444865.db2.gz ZAQIHCGVCHVEPK-UHFFFAOYSA-N 1 2 227.264 -1.010 20 0 BAADLO NS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394610568 411106493 /nfs/dbraw/zinc/10/64/93/411106493.db2.gz SUOCJXIDGZPUBN-SECBINFHSA-N 1 2 249.336 -1.014 20 0 BAADLO NS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000394610598 410811773 /nfs/dbraw/zinc/81/17/73/410811773.db2.gz SUOCJXIDGZPUBN-VIFPVBQESA-N 1 2 249.336 -1.014 20 0 BAADLO CO[C@@H]1CN(c2nc(N)nc(C)[nH+]2)C[C@H]1O ZINC000396017882 411896175 /nfs/dbraw/zinc/89/61/75/411896175.db2.gz ULDMFDFDVVFGPZ-RNFRBKRXSA-N 1 2 225.252 -1.042 20 0 BAADLO CO[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1O ZINC000396017882 411896172 /nfs/dbraw/zinc/89/61/72/411896172.db2.gz ULDMFDFDVVFGPZ-RNFRBKRXSA-N 1 2 225.252 -1.042 20 0 BAADLO COc1c(N)nc[nH+]c1NCc1nnn(C)n1 ZINC000398187288 411682902 /nfs/dbraw/zinc/68/29/02/411682902.db2.gz ZHHHJYHMKKWSHE-UHFFFAOYSA-N 1 2 236.239 -0.797 20 0 BAADLO COc1c(N)[nH+]cnc1NCc1nnn(C)n1 ZINC000398187288 411682898 /nfs/dbraw/zinc/68/28/98/411682898.db2.gz ZHHHJYHMKKWSHE-UHFFFAOYSA-N 1 2 236.239 -0.797 20 0 BAADLO CC1(C(=O)NCc2n[nH]c(=O)[nH]2)C[NH2+]C1 ZINC000399237928 411027026 /nfs/dbraw/zinc/02/70/26/411027026.db2.gz HRMPVCPGSQSMTM-UHFFFAOYSA-N 1 2 211.225 -1.264 20 0 BAADLO NS(=O)(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401773770 371817159 /nfs/dbraw/zinc/81/71/59/371817159.db2.gz LGMVPFRLUMRXOH-REOHCLBHSA-N 1 2 207.177 -1.331 20 0 BAADLO NS(=O)(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401773773 371817475 /nfs/dbraw/zinc/81/74/75/371817475.db2.gz LGMVPFRLUMRXOH-UWTATZPHSA-N 1 2 207.177 -1.331 20 0 BAADLO CN(C)S(=O)(=O)CC[N@H+]1CCNC(=O)CC1 ZINC000407948746 385091720 /nfs/dbraw/zinc/09/17/20/385091720.db2.gz RXRCSHUKKMRXIH-UHFFFAOYSA-N 1 2 249.336 -1.300 20 0 BAADLO CN(C)S(=O)(=O)CC[N@@H+]1CCNC(=O)CC1 ZINC000407948746 385091717 /nfs/dbraw/zinc/09/17/17/385091717.db2.gz RXRCSHUKKMRXIH-UHFFFAOYSA-N 1 2 249.336 -1.300 20 0 BAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CO ZINC000407996008 385338637 /nfs/dbraw/zinc/33/86/37/385338637.db2.gz AQPPZKSRIKXKEC-MRVPVSSYSA-N 1 2 202.254 -1.184 20 0 BAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CO ZINC000407996010 385337371 /nfs/dbraw/zinc/33/73/71/385337371.db2.gz AQPPZKSRIKXKEC-QMMMGPOBSA-N 1 2 202.254 -1.184 20 0 BAADLO CN(CC[NH+]1CCOCC1)C(=O)CO ZINC000407996307 385340605 /nfs/dbraw/zinc/34/06/05/385340605.db2.gz QVSYJTKGYFCZDQ-UHFFFAOYSA-N 1 2 202.254 -1.231 20 0 BAADLO C[C@@H](O)C[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000407998720 385346503 /nfs/dbraw/zinc/34/65/03/385346503.db2.gz RKGAGQRVEOFZMG-PRJMDXOYSA-N 1 2 202.254 -1.058 20 0 BAADLO C[C@@H](O)C[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000407998720 385346498 /nfs/dbraw/zinc/34/64/98/385346498.db2.gz RKGAGQRVEOFZMG-PRJMDXOYSA-N 1 2 202.254 -1.058 20 0 BAADLO C[C@H](O)C[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000407998724 385347404 /nfs/dbraw/zinc/34/74/04/385347404.db2.gz RKGAGQRVEOFZMG-RNJXMRFFSA-N 1 2 202.254 -1.058 20 0 BAADLO C[C@H](O)C[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000407998724 385347400 /nfs/dbraw/zinc/34/74/00/385347400.db2.gz RKGAGQRVEOFZMG-RNJXMRFFSA-N 1 2 202.254 -1.058 20 0 BAADLO CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000407999099 384005855 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-1.431 20 0 BAADLO CNC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000551375212 388627512 /nfs/dbraw/zinc/62/75/12/388627512.db2.gz ZGCKWLDECQJDKT-QMMMGPOBSA-N 1 2 229.280 -1.431 20 0 BAADLO CNC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000551375212 388627510 /nfs/dbraw/zinc/62/75/10/388627510.db2.gz ZGCKWLDECQJDKT-QMMMGPOBSA-N 1 2 229.280 -1.431 20 0 BAADLO CN(C[C@H](O)CO)C(=O)Cn1cc[nH+]c1 ZINC000555008204 397988366 /nfs/dbraw/zinc/98/83/66/397988366.db2.gz UECPSVWOQNDBSF-QMMMGPOBSA-N 1 2 213.237 -1.305 20 0 BAADLO O=S(=O)(N1CCC1)N1CC[NH+](CCO)CC1 ZINC000556809376 384495397 /nfs/dbraw/zinc/49/53/97/384495397.db2.gz LRNQMRYQUKOULY-UHFFFAOYSA-N 1 2 249.336 -1.453 20 0 BAADLO CNS(=O)(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000556817257 384502239 /nfs/dbraw/zinc/50/22/39/384502239.db2.gz ZTWMOBWVNIHNBG-MRVPVSSYSA-N 1 2 237.325 -1.239 20 0 BAADLO CNS(=O)(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000556817257 384502234 /nfs/dbraw/zinc/50/22/34/384502234.db2.gz ZTWMOBWVNIHNBG-MRVPVSSYSA-N 1 2 237.325 -1.239 20 0 BAADLO CNS(=O)(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000556817258 384504008 /nfs/dbraw/zinc/50/40/08/384504008.db2.gz ZTWMOBWVNIHNBG-QMMMGPOBSA-N 1 2 237.325 -1.239 20 0 BAADLO CNS(=O)(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000556817258 384504001 /nfs/dbraw/zinc/50/40/01/384504001.db2.gz ZTWMOBWVNIHNBG-QMMMGPOBSA-N 1 2 237.325 -1.239 20 0 BAADLO Cc1[nH]c(C(=O)N[C@@H]2CN(C)NC2=O)c[nH+]1 ZINC000558350750 383940168 /nfs/dbraw/zinc/94/01/68/383940168.db2.gz FRPJPTZZXRYVPH-SSDOTTSWSA-N 1 2 223.236 -1.207 20 0 BAADLO Cc1[nH]c(C(=O)N[C@H]2CN(C)NC2=O)c[nH+]1 ZINC000558350769 322948919 /nfs/dbraw/zinc/94/89/19/322948919.db2.gz FRPJPTZZXRYVPH-ZETCQYMHSA-N 1 2 223.236 -1.207 20 0 BAADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000560822683 384373672 /nfs/dbraw/zinc/37/36/72/384373672.db2.gz DRFVJRKRYQKRED-UHFFFAOYSA-N 1 2 243.307 -1.087 20 0 BAADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000560822683 384373667 /nfs/dbraw/zinc/37/36/67/384373667.db2.gz DRFVJRKRYQKRED-UHFFFAOYSA-N 1 2 243.307 -1.087 20 0 BAADLO CC1(C(N)=O)C[NH+](CC(=O)NC(N)=O)C1 ZINC000563067170 323084278 /nfs/dbraw/zinc/08/42/78/323084278.db2.gz DRBBZSCGJBPHIU-UHFFFAOYSA-N 1 2 214.225 -2.012 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000563101408 323092386 /nfs/dbraw/zinc/09/23/86/323092386.db2.gz CIJIWOUBSDMXRL-HLTSFMKQSA-N 1 2 212.297 -1.565 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000563101412 323092456 /nfs/dbraw/zinc/09/24/56/323092456.db2.gz CIJIWOUBSDMXRL-YIZRAAEISA-N 1 2 212.297 -1.565 20 0 BAADLO C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563101548 323092490 /nfs/dbraw/zinc/09/24/90/323092490.db2.gz KMFAVWMFNMWCAV-NXEZZACHSA-N 1 2 228.340 -1.057 20 0 BAADLO C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563101549 323092335 /nfs/dbraw/zinc/09/23/35/323092335.db2.gz KMFAVWMFNMWCAV-UWVGGRQHSA-N 1 2 228.340 -1.057 20 0 BAADLO C[NH2+]C[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563101550 323092430 /nfs/dbraw/zinc/09/24/30/323092430.db2.gz KMFAVWMFNMWCAV-VHSXEESVSA-N 1 2 228.340 -1.057 20 0 BAADLO C[NH2+]C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563101551 323092339 /nfs/dbraw/zinc/09/23/39/323092339.db2.gz KMFAVWMFNMWCAV-ZJUUUORDSA-N 1 2 228.340 -1.057 20 0 BAADLO COCCOCCN1C(=O)C[C@@H]([NH3+])C1=O ZINC000563348605 323119909 /nfs/dbraw/zinc/11/99/09/323119909.db2.gz KVPYOPKMIUKBIC-SSDOTTSWSA-N 1 2 216.237 -1.264 20 0 BAADLO COCCOCCN1C(=O)C[C@H]([NH3+])C1=O ZINC000563348612 323119850 /nfs/dbraw/zinc/11/98/50/323119850.db2.gz KVPYOPKMIUKBIC-ZETCQYMHSA-N 1 2 216.237 -1.264 20 0 BAADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@@H](O)CO ZINC000563428225 411958525 /nfs/dbraw/zinc/95/85/25/411958525.db2.gz VIMBVZROCXVABX-RXMQYKEDSA-N 1 2 238.251 -1.289 20 0 BAADLO Cn1ncc2c1nc(N)[nH+]c2NC[C@H](O)CO ZINC000563428241 411956910 /nfs/dbraw/zinc/95/69/10/411956910.db2.gz VIMBVZROCXVABX-YFKPBYRVSA-N 1 2 238.251 -1.289 20 0 BAADLO [NH3+]CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563432100 323125138 /nfs/dbraw/zinc/12/51/38/323125138.db2.gz KCDLHEAIGBWFDF-BDAKNGLRSA-N 1 2 212.297 -1.421 20 0 BAADLO [NH3+]CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563432101 323125219 /nfs/dbraw/zinc/12/52/19/323125219.db2.gz KCDLHEAIGBWFDF-DTWKUNHWSA-N 1 2 212.297 -1.421 20 0 BAADLO [NH3+]CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563432102 323125177 /nfs/dbraw/zinc/12/51/77/323125177.db2.gz KCDLHEAIGBWFDF-IUCAKERBSA-N 1 2 212.297 -1.421 20 0 BAADLO [NH3+]CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563432103 323125205 /nfs/dbraw/zinc/12/52/05/323125205.db2.gz KCDLHEAIGBWFDF-RKDXNWHRSA-N 1 2 212.297 -1.421 20 0 BAADLO Cc1cc(NC(=O)CN2CC[NH2+]CC2=O)n[nH]1 ZINC000564725407 410387743 /nfs/dbraw/zinc/38/77/43/410387743.db2.gz OUDWMYCDEIAFQC-UHFFFAOYSA-N 1 2 237.263 -0.912 20 0 BAADLO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000564924869 388897252 /nfs/dbraw/zinc/89/72/52/388897252.db2.gz RHFXDMQMXKXYII-NTSWFWBYSA-N 1 2 225.252 -1.094 20 0 BAADLO C[NH+]1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 ZINC000565064132 388909664 /nfs/dbraw/zinc/90/96/64/388909664.db2.gz HWOLKFLSJUKQRD-UHFFFAOYSA-N 1 2 247.320 -1.419 20 0 BAADLO CCN1CC[N@H+]([C@H]2COC[C@H]2O)CC1=O ZINC000565139239 388916829 /nfs/dbraw/zinc/91/68/29/388916829.db2.gz JHBUXGREEVKOOT-DTWKUNHWSA-N 1 2 214.265 -1.090 20 0 BAADLO CCN1CC[N@@H+]([C@H]2COC[C@H]2O)CC1=O ZINC000565139239 388916826 /nfs/dbraw/zinc/91/68/26/388916826.db2.gz JHBUXGREEVKOOT-DTWKUNHWSA-N 1 2 214.265 -1.090 20 0 BAADLO CCN1CC[N@H+]([C@@H]2COC[C@H]2O)CC1=O ZINC000565139283 388916852 /nfs/dbraw/zinc/91/68/52/388916852.db2.gz JHBUXGREEVKOOT-RKDXNWHRSA-N 1 2 214.265 -1.090 20 0 BAADLO CCN1CC[N@@H+]([C@@H]2COC[C@H]2O)CC1=O ZINC000565139283 388916850 /nfs/dbraw/zinc/91/68/50/388916850.db2.gz JHBUXGREEVKOOT-RKDXNWHRSA-N 1 2 214.265 -1.090 20 0 BAADLO COC(=O)[C@@H](O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000565191143 388924524 /nfs/dbraw/zinc/92/45/24/388924524.db2.gz OTUGWQGLVUYTCO-QMMMGPOBSA-N 1 2 244.291 -1.022 20 0 BAADLO NC(=O)NC(=O)CC[NH2+]CC(F)(F)CO ZINC000565716530 384892513 /nfs/dbraw/zinc/89/25/13/384892513.db2.gz IWNLJVUUZQVWCL-UHFFFAOYSA-N 1 2 225.195 -1.211 20 0 BAADLO CCNC(=O)NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000565948566 388980506 /nfs/dbraw/zinc/98/05/06/388980506.db2.gz FJBVIOHKWWMFDJ-UHFFFAOYSA-N 1 2 242.279 -1.361 20 0 BAADLO CC1(C(N)=O)C[NH+](CC(=O)N2CCOCC2)C1 ZINC000566173605 326006056 /nfs/dbraw/zinc/00/60/56/326006056.db2.gz MBQIREPDCFHDPT-UHFFFAOYSA-N 1 2 241.291 -1.348 20 0 BAADLO O=C1C[C@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1 ZINC000566412183 326041309 /nfs/dbraw/zinc/04/13/09/326041309.db2.gz CEPBUBMPVDBDRJ-BQBZGAKWSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1 ZINC000566412183 326041307 /nfs/dbraw/zinc/04/13/07/326041307.db2.gz CEPBUBMPVDBDRJ-BQBZGAKWSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@@H]([N@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1 ZINC000566412189 326041289 /nfs/dbraw/zinc/04/12/89/326041289.db2.gz CEPBUBMPVDBDRJ-NKWVEPMBSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@@H]([N@@H+]2CCN3C(=O)NC[C@H]3C2)C(=O)N1 ZINC000566412189 326041286 /nfs/dbraw/zinc/04/12/86/326041286.db2.gz CEPBUBMPVDBDRJ-NKWVEPMBSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1 ZINC000566412190 326041473 /nfs/dbraw/zinc/04/14/73/326041473.db2.gz CEPBUBMPVDBDRJ-RNFRBKRXSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1 ZINC000566412190 326041472 /nfs/dbraw/zinc/04/14/72/326041472.db2.gz CEPBUBMPVDBDRJ-RNFRBKRXSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@H]([N@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1 ZINC000566412191 326041494 /nfs/dbraw/zinc/04/14/94/326041494.db2.gz CEPBUBMPVDBDRJ-RQJHMYQMSA-N 1 2 238.247 -1.889 20 0 BAADLO O=C1C[C@H]([N@@H+]2CCN3C(=O)NC[C@@H]3C2)C(=O)N1 ZINC000566412191 326041493 /nfs/dbraw/zinc/04/14/93/326041493.db2.gz CEPBUBMPVDBDRJ-RQJHMYQMSA-N 1 2 238.247 -1.889 20 0 BAADLO NC(=O)NC(=O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000566426296 326045207 /nfs/dbraw/zinc/04/52/07/326045207.db2.gz 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CN1C[C@H](NC(=O)Cn2cc[nH+]c2)C(=O)N1 ZINC000581345816 367362752 /nfs/dbraw/zinc/36/27/52/367362752.db2.gz PFFDLUNNFLPDFP-ZETCQYMHSA-N 1 2 223.236 -1.656 20 0 BAADLO C[NH2+]CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581381250 367412258 /nfs/dbraw/zinc/41/22/58/367412258.db2.gz VPYWDYLVEIFEHQ-NXEZZACHSA-N 1 2 226.324 -1.160 20 0 BAADLO C[NH2+]CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581381251 367412408 /nfs/dbraw/zinc/41/24/08/367412408.db2.gz VPYWDYLVEIFEHQ-UWVGGRQHSA-N 1 2 226.324 -1.160 20 0 BAADLO C[NH2+]CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581381252 367412182 /nfs/dbraw/zinc/41/21/82/367412182.db2.gz VPYWDYLVEIFEHQ-VHSXEESVSA-N 1 2 226.324 -1.160 20 0 BAADLO C[NH2+]CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581381253 367412349 /nfs/dbraw/zinc/41/23/49/367412349.db2.gz VPYWDYLVEIFEHQ-ZJUUUORDSA-N 1 2 226.324 -1.160 20 0 BAADLO CC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@H](O)CO ZINC000581399767 367429452 /nfs/dbraw/zinc/42/94/52/367429452.db2.gz 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/nfs/dbraw/zinc/31/22/77/343312277.db2.gz QRUWJWXLYXJJOO-SSDOTTSWSA-N 1 2 236.231 -1.243 20 0 BAADLO CN1C(=O)C[C@H](NC(=O)Cn2cc[nH+]c2)C1=O ZINC000584063426 343312273 /nfs/dbraw/zinc/31/22/73/343312273.db2.gz QRUWJWXLYXJJOO-ZETCQYMHSA-N 1 2 236.231 -1.243 20 0 BAADLO O=C(CN1CC[NH2+]CC1=O)Nc1cc[nH]n1 ZINC000584169774 412313792 /nfs/dbraw/zinc/31/37/92/412313792.db2.gz MXYLLAMFIYOJIB-UHFFFAOYSA-N 1 2 223.236 -1.220 20 0 BAADLO CC(CO)(CO)NC(=O)NCCn1cc[nH+]c1 ZINC000584329475 582962802 /nfs/dbraw/zinc/96/28/02/582962802.db2.gz ICIRFQVWQZKATF-UHFFFAOYSA-N 1 2 242.279 -1.074 20 0 BAADLO C[C@@H]1C[N@@H+](CCNS(N)(=O)=O)CCO1 ZINC000590211055 346809843 /nfs/dbraw/zinc/80/98/43/346809843.db2.gz IQUNMEOOINLPDJ-SSDOTTSWSA-N 1 2 223.298 -1.500 20 0 BAADLO C[C@@H]1C[N@H+](CCNS(N)(=O)=O)CCO1 ZINC000590211055 346809839 /nfs/dbraw/zinc/80/98/39/346809839.db2.gz IQUNMEOOINLPDJ-SSDOTTSWSA-N 1 2 223.298 -1.500 20 0 BAADLO C[C@H]1C[N@@H+](CCNS(N)(=O)=O)CCO1 ZINC000590211056 346810070 /nfs/dbraw/zinc/81/00/70/346810070.db2.gz IQUNMEOOINLPDJ-ZETCQYMHSA-N 1 2 223.298 -1.500 20 0 BAADLO C[C@H]1C[N@H+](CCNS(N)(=O)=O)CCO1 ZINC000590211056 346810067 /nfs/dbraw/zinc/81/00/67/346810067.db2.gz IQUNMEOOINLPDJ-ZETCQYMHSA-N 1 2 223.298 -1.500 20 0 BAADLO COCC[N@@H+](CCO)CC(=O)Nc1ccon1 ZINC000591470306 412366911 /nfs/dbraw/zinc/36/69/11/412366911.db2.gz LPTVUORPQXLONR-UHFFFAOYSA-N 1 2 243.263 -0.446 20 0 BAADLO COCC[N@H+](CCO)CC(=O)Nc1ccon1 ZINC000591470306 412366908 /nfs/dbraw/zinc/36/69/08/412366908.db2.gz LPTVUORPQXLONR-UHFFFAOYSA-N 1 2 243.263 -0.446 20 0 BAADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(N)=O)C1 ZINC000592207995 347757759 /nfs/dbraw/zinc/75/77/59/347757759.db2.gz LWVGOLMTCBRUSI-BQBZGAKWSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(N)=O)C1 ZINC000592207995 347757758 /nfs/dbraw/zinc/75/77/58/347757758.db2.gz LWVGOLMTCBRUSI-BQBZGAKWSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(N)=O)C1 ZINC000592207996 347757928 /nfs/dbraw/zinc/75/79/28/347757928.db2.gz LWVGOLMTCBRUSI-NKWVEPMBSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(N)=O)C1 ZINC000592207996 347757925 /nfs/dbraw/zinc/75/79/25/347757925.db2.gz LWVGOLMTCBRUSI-NKWVEPMBSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(N)=O)C1 ZINC000592207997 347757799 /nfs/dbraw/zinc/75/77/99/347757799.db2.gz LWVGOLMTCBRUSI-RNFRBKRXSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(N)=O)C1 ZINC000592207997 347757798 /nfs/dbraw/zinc/75/77/98/347757798.db2.gz LWVGOLMTCBRUSI-RNFRBKRXSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(N)=O)C1 ZINC000592207998 347757401 /nfs/dbraw/zinc/75/74/01/347757401.db2.gz LWVGOLMTCBRUSI-RQJHMYQMSA-N 1 2 216.237 -1.673 20 0 BAADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(N)=O)C1 ZINC000592207998 347757399 /nfs/dbraw/zinc/75/73/99/347757399.db2.gz LWVGOLMTCBRUSI-RQJHMYQMSA-N 1 2 216.237 -1.673 20 0 BAADLO CNC(=O)NC(=O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O 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COC(=O)[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000594224053 348023232 /nfs/dbraw/zinc/02/32/32/348023232.db2.gz GAGLYUFSRAWTOG-MRVPVSSYSA-N 1 2 244.291 -1.022 20 0 BAADLO COC(=O)C[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000595288685 348213352 /nfs/dbraw/zinc/21/33/52/348213352.db2.gz RRPLACONPZQNOT-UHFFFAOYSA-N 1 2 243.263 -1.015 20 0 BAADLO COC(=O)C[N@H+](C)CCN1C(=O)CN(C)C1=O ZINC000595288685 348213348 /nfs/dbraw/zinc/21/33/48/348213348.db2.gz RRPLACONPZQNOT-UHFFFAOYSA-N 1 2 243.263 -1.015 20 0 BAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547454 348267864 /nfs/dbraw/zinc/26/78/64/348267864.db2.gz PFHDVUIEDKHFRI-BYPYZUCNSA-N 1 2 243.223 -1.210 20 0 BAADLO C[C@@H](C(=O)NC(N)=O)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547454 348267861 /nfs/dbraw/zinc/26/78/61/348267861.db2.gz PFHDVUIEDKHFRI-BYPYZUCNSA-N 1 2 243.223 -1.210 20 0 BAADLO C[C@H](C(=O)NC(N)=O)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547459 348267635 /nfs/dbraw/zinc/26/76/35/348267635.db2.gz PFHDVUIEDKHFRI-SCSAIBSYSA-N 1 2 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C[C@]1(F)C[NH2+]CCN(S(N)(=O)=O)C1 ZINC000623071054 350089629 /nfs/dbraw/zinc/08/96/29/350089629.db2.gz ZIMHHCYQVFMCJJ-LURJTMIESA-N 1 2 211.262 -1.177 20 0 BAADLO C[C@@]1(F)C[NH2+]CCN(S(N)(=O)=O)C1 ZINC000623071055 350089337 /nfs/dbraw/zinc/08/93/37/350089337.db2.gz ZIMHHCYQVFMCJJ-ZCFIWIBFSA-N 1 2 211.262 -1.177 20 0 BAADLO CN1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)NC1=O ZINC000623255697 355860856 /nfs/dbraw/zinc/86/08/56/355860856.db2.gz PXXGCMMYSLPEIR-APPZFPTMSA-N 1 2 249.274 -1.052 20 0 BAADLO CN1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)NC1=O ZINC000623255698 355860610 /nfs/dbraw/zinc/86/06/10/355860610.db2.gz PXXGCMMYSLPEIR-CBAPKCEASA-N 1 2 249.274 -1.052 20 0 BAADLO CN1C[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)NC1=O ZINC000623255699 355860689 /nfs/dbraw/zinc/86/06/89/355860689.db2.gz PXXGCMMYSLPEIR-IONNQARKSA-N 1 2 249.274 -1.052 20 0 BAADLO CN1C[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)NC1=O ZINC000623255700 355861025 /nfs/dbraw/zinc/86/10/25/355861025.db2.gz PXXGCMMYSLPEIR-VXNVDRBHSA-N 1 2 249.274 -1.052 20 0 BAADLO Nc1nc(Nc2ccn(CCO)n2)nc(N)[nH+]1 ZINC000623954426 411974438 /nfs/dbraw/zinc/97/44/38/411974438.db2.gz NVMKAMMLMJOFHB-UHFFFAOYSA-N 1 2 236.239 -1.779 20 0 BAADLO Cc1cc(CNc2nc(N)nc(N)[nH+]2)[nH]n1 ZINC000623970937 371206613 /nfs/dbraw/zinc/20/66/13/371206613.db2.gz FQOPCFLHQSXALV-UHFFFAOYSA-N 1 2 220.240 -1.238 20 0 BAADLO C[C@@H](CS(C)(=O)=O)Nc1nc(N)nc(N)[nH+]1 ZINC000623971244 371206855 /nfs/dbraw/zinc/20/68/55/371206855.db2.gz OQRQKPXABWYALF-BYPYZUCNSA-N 1 2 246.296 -2.036 20 0 BAADLO C[C@H](CS(C)(=O)=O)Nc1nc(N)nc(N)[nH+]1 ZINC000623971245 371206840 /nfs/dbraw/zinc/20/68/40/371206840.db2.gz OQRQKPXABWYALF-SCSAIBSYSA-N 1 2 246.296 -2.036 20 0 BAADLO Nc1nc(N)[nH+]c(N2CCc3c[nH]nc3C2)n1 ZINC000624057466 371282897 /nfs/dbraw/zinc/28/28/97/371282897.db2.gz LMDFSMOKDDOWHR-UHFFFAOYSA-N 1 2 232.251 -1.017 20 0 BAADLO C[C@@H](CNc1nc(N)nc(N)[nH+]1)S(C)(=O)=O ZINC000624062084 371286490 /nfs/dbraw/zinc/28/64/90/371286490.db2.gz TVBDLJYMBUVHNE-BYPYZUCNSA-N 1 2 246.296 -2.036 20 0 BAADLO C[C@H](CNc1nc(N)nc(N)[nH+]1)S(C)(=O)=O ZINC000624062085 371286090 /nfs/dbraw/zinc/28/60/90/371286090.db2.gz TVBDLJYMBUVHNE-SCSAIBSYSA-N 1 2 246.296 -2.036 20 0 BAADLO CCc1nnc([C@H](C)Nc2nc(N)nc(N)[nH+]2)[nH]1 ZINC000624073230 371292084 /nfs/dbraw/zinc/29/20/84/371292084.db2.gz SYTGNNGUXKWOMM-BYPYZUCNSA-N 1 2 249.282 -1.028 20 0 BAADLO CCc1nnc([C@H](C)Nc2nc(N)[nH+]c(N)n2)[nH]1 ZINC000624073230 371292081 /nfs/dbraw/zinc/29/20/81/371292081.db2.gz SYTGNNGUXKWOMM-BYPYZUCNSA-N 1 2 249.282 -1.028 20 0 BAADLO CCc1nnc([C@@H](C)Nc2nc(N)nc(N)[nH+]2)[nH]1 ZINC000624073231 371292889 /nfs/dbraw/zinc/29/28/89/371292889.db2.gz SYTGNNGUXKWOMM-SCSAIBSYSA-N 1 2 249.282 -1.028 20 0 BAADLO CCc1nnc([C@@H](C)Nc2nc(N)[nH+]c(N)n2)[nH]1 ZINC000624073231 371292884 /nfs/dbraw/zinc/29/28/84/371292884.db2.gz SYTGNNGUXKWOMM-SCSAIBSYSA-N 1 2 249.282 -1.028 20 0 BAADLO C[C@@H](Nc1nc(N)[nH+]c(N)n1)c1nc[nH]n1 ZINC000624076921 371293927 /nfs/dbraw/zinc/29/39/27/371293927.db2.gz IYOZAJFTEFMSDG-GSVOUGTGSA-N 1 2 221.228 -1.590 20 0 BAADLO C[C@H](Nc1nc(N)[nH+]c(N)n1)c1nc[nH]n1 ZINC000624076922 371293788 /nfs/dbraw/zinc/29/37/88/371293788.db2.gz IYOZAJFTEFMSDG-VKHMYHEASA-N 1 2 221.228 -1.590 20 0 BAADLO Nc1nc(N)[nH+]c(NCCc2nnc[nH]2)n1 ZINC000624159970 371352925 /nfs/dbraw/zinc/35/29/25/371352925.db2.gz WCAZOYOTEVQMRC-UHFFFAOYSA-N 1 2 221.228 -2.109 20 0 BAADLO Nc1nc(NCC[N@@H+]2CC=CCC2)nc(N)[nH+]1 ZINC000624176426 371368190 /nfs/dbraw/zinc/36/81/90/371368190.db2.gz LDAOWZAWFMFMOV-UHFFFAOYSA-N 1 2 235.295 -1.208 20 0 BAADLO Nc1nc(N)[nH+]c(NCCCc2nnc[nH]2)n1 ZINC000624180411 371371874 /nfs/dbraw/zinc/37/18/74/371371874.db2.gz MTDNKGCTNOFRRD-UHFFFAOYSA-N 1 2 235.255 -1.719 20 0 BAADLO Nc1nc(NCCCc2nnc[nH]2)nc(N)[nH+]1 ZINC000624180411 371371872 /nfs/dbraw/zinc/37/18/72/371371872.db2.gz MTDNKGCTNOFRRD-UHFFFAOYSA-N 1 2 235.255 -1.719 20 0 BAADLO CCc1nnc(CNc2nc(N)nc(N)[nH+]2)[nH]1 ZINC000624248070 371434112 /nfs/dbraw/zinc/43/41/12/371434112.db2.gz ZOIKSWIVWOVZSC-UHFFFAOYSA-N 1 2 235.255 -1.589 20 0 BAADLO CCc1nnc(CNc2nc(N)[nH+]c(N)n2)[nH]1 ZINC000624248070 371434102 /nfs/dbraw/zinc/43/41/02/371434102.db2.gz ZOIKSWIVWOVZSC-UHFFFAOYSA-N 1 2 235.255 -1.589 20 0 BAADLO CC(C)c1nnc(CNc2nc(N)nc(N)[nH+]2)[nH]1 ZINC000624248899 371434470 /nfs/dbraw/zinc/43/44/70/371434470.db2.gz IFXRXCNPJUWVSN-UHFFFAOYSA-N 1 2 249.282 -1.028 20 0 BAADLO CC(C)c1nnc(CNc2nc(N)[nH+]c(N)n2)[nH]1 ZINC000624248899 371434465 /nfs/dbraw/zinc/43/44/65/371434465.db2.gz IFXRXCNPJUWVSN-UHFFFAOYSA-N 1 2 249.282 -1.028 20 0 BAADLO Nc1nc(N)[nH+]c(NCc2nnc(C3CC3)[nH]2)n1 ZINC000624249197 371435774 /nfs/dbraw/zinc/43/57/74/371435774.db2.gz YIUFIMRUESWTNJ-UHFFFAOYSA-N 1 2 247.266 -1.274 20 0 BAADLO Nc1nc(NCc2nnc(C3CC3)[nH]2)nc(N)[nH+]1 ZINC000624249197 371435769 /nfs/dbraw/zinc/43/57/69/371435769.db2.gz YIUFIMRUESWTNJ-UHFFFAOYSA-N 1 2 247.266 -1.274 20 0 BAADLO CN(CC1N=NC(=O)O1)c1nc(N)[nH+]c(N)n1 ZINC000624291063 371460009 /nfs/dbraw/zinc/46/00/09/371460009.db2.gz LCUYVYCTMQNLGO-UHFFFAOYSA-N 1 2 238.211 -1.578 20 0 BAADLO [NH3+]CC(F)(F)CNS(=O)(=O)C1COC1 ZINC000624361401 371492988 /nfs/dbraw/zinc/49/29/88/371492988.db2.gz KDQVNEDAEKFFQX-UHFFFAOYSA-N 1 2 230.236 -1.101 20 0 BAADLO O[C@H]1CN(c2[nH+]cnc3c2OCCN3)C[C@@H]1O ZINC000624481205 343904326 /nfs/dbraw/zinc/90/43/26/343904326.db2.gz XCNOVODKBCAFMI-BQBZGAKWSA-N 1 2 238.247 -1.177 20 0 BAADLO O[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1O ZINC000624481205 343904323 /nfs/dbraw/zinc/90/43/23/343904323.db2.gz XCNOVODKBCAFMI-BQBZGAKWSA-N 1 2 238.247 -1.177 20 0 BAADLO Cn1[nH]cnc1=NC[C@@H]1COCC[N@H+]1C ZINC000624622350 344110323 /nfs/dbraw/zinc/11/03/23/344110323.db2.gz WWVHKQGGNCYFIH-MRVPVSSYSA-N 1 2 211.269 -1.021 20 0 BAADLO Cn1[nH]cnc1=NC[C@@H]1COCC[N@@H+]1C ZINC000624622350 344110322 /nfs/dbraw/zinc/11/03/22/344110322.db2.gz WWVHKQGGNCYFIH-MRVPVSSYSA-N 1 2 211.269 -1.021 20 0 BAADLO Cn1[nH]cnc1=NC[C@H]1COCC[N@H+]1C ZINC000624622351 344110039 /nfs/dbraw/zinc/11/00/39/344110039.db2.gz WWVHKQGGNCYFIH-QMMMGPOBSA-N 1 2 211.269 -1.021 20 0 BAADLO Cn1[nH]cnc1=NC[C@H]1COCC[N@@H+]1C ZINC000624622351 344110035 /nfs/dbraw/zinc/11/00/35/344110035.db2.gz WWVHKQGGNCYFIH-QMMMGPOBSA-N 1 2 211.269 -1.021 20 0 BAADLO CNC(=O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624743242 342823568 /nfs/dbraw/zinc/82/35/68/342823568.db2.gz MDGPEHASCMNQIG-MRVPVSSYSA-N 1 2 244.295 -1.638 20 0 BAADLO CNC(=O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624743242 342823567 /nfs/dbraw/zinc/82/35/67/342823567.db2.gz MDGPEHASCMNQIG-MRVPVSSYSA-N 1 2 244.295 -1.638 20 0 BAADLO CNC(=O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624743245 342823628 /nfs/dbraw/zinc/82/36/28/342823628.db2.gz MDGPEHASCMNQIG-QMMMGPOBSA-N 1 2 244.295 -1.638 20 0 BAADLO CNC(=O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624743245 342823627 /nfs/dbraw/zinc/82/36/27/342823627.db2.gz MDGPEHASCMNQIG-QMMMGPOBSA-N 1 2 244.295 -1.638 20 0 BAADLO C[C@H](C(N)=O)[NH+]1CCN(c2nccnn2)CC1 ZINC000625636664 487834015 /nfs/dbraw/zinc/83/40/15/487834015.db2.gz BRXMFNXQGIQKAM-MRVPVSSYSA-N 1 2 236.279 -1.133 20 0 BAADLO C[C@@H](C(N)=O)[NH+]1CCN(c2nccnn2)CC1 ZINC000625636665 487834075 /nfs/dbraw/zinc/83/40/75/487834075.db2.gz BRXMFNXQGIQKAM-QMMMGPOBSA-N 1 2 236.279 -1.133 20 0 BAADLO CCN1OC[C@@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000625712946 344051578 /nfs/dbraw/zinc/05/15/78/344051578.db2.gz CKEMUTULZNUXOT-CSMHCCOUSA-N 1 2 216.237 -1.814 20 0 BAADLO CCN1OC[C@H]([NH+]2C[C@H](O)[C@@H](O)C2)C1=O ZINC000625712950 344051531 /nfs/dbraw/zinc/05/15/31/344051531.db2.gz CKEMUTULZNUXOT-FXQIFTODSA-N 1 2 216.237 -1.814 20 0 BAADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)Nc1cnccn1 ZINC000625713670 344052056 /nfs/dbraw/zinc/05/20/56/344052056.db2.gz PMBPJVWQTWMJOB-YUMQZZPRSA-N 1 2 238.247 -1.548 20 0 BAADLO CNS(=O)(=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000625869375 344242264 /nfs/dbraw/zinc/24/22/64/344242264.db2.gz KIGGMYXOZKGHQP-ZETCQYMHSA-N 1 2 235.309 -1.515 20 0 BAADLO CNS(=O)(=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869375 344242262 /nfs/dbraw/zinc/24/22/62/344242262.db2.gz KIGGMYXOZKGHQP-ZETCQYMHSA-N 1 2 235.309 -1.515 20 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CCNS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632578561 373015315 /nfs/dbraw/zinc/01/53/15/373015315.db2.gz YLIHSENFVLSCLS-QMMMGPOBSA-N 1 2 237.325 -1.551 20 0 BAADLO CCNS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632578561 373015309 /nfs/dbraw/zinc/01/53/09/373015309.db2.gz YLIHSENFVLSCLS-QMMMGPOBSA-N 1 2 237.325 -1.551 20 0 BAADLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1COC1 ZINC000634252913 374052623 /nfs/dbraw/zinc/05/26/23/374052623.db2.gz GUYNXIWWZQIELR-UHFFFAOYSA-N 1 2 243.307 -1.042 20 0 BAADLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1COC1 ZINC000634252913 374052615 /nfs/dbraw/zinc/05/26/15/374052615.db2.gz GUYNXIWWZQIELR-UHFFFAOYSA-N 1 2 243.307 -1.042 20 0 BAADLO N[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC1(F)F ZINC000634277479 374089757 /nfs/dbraw/zinc/08/97/57/374089757.db2.gz YEIMXDCHNWWGFT-SECBINFHSA-N 1 2 249.261 -1.141 20 0 BAADLO N[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC1(F)F ZINC000634277480 374086418 /nfs/dbraw/zinc/08/64/18/374086418.db2.gz YEIMXDCHNWWGFT-VIFPVBQESA-N 1 2 249.261 -1.141 20 0 BAADLO C[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650089 343060678 /nfs/dbraw/zinc/06/06/78/343060678.db2.gz BALHVNUBEYKXKR-LURJTMIESA-N 1 2 208.283 -1.399 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650090 343060587 /nfs/dbraw/zinc/06/05/87/343060587.db2.gz BALHVNUBEYKXKR-ZCFIWIBFSA-N 1 2 208.283 -1.399 20 0 BAADLO CS(=O)(=O)NC1C[NH+](CCC(N)=O)C1 ZINC000634650544 343061180 /nfs/dbraw/zinc/06/11/80/343061180.db2.gz ONXLRLORHMGTJP-UHFFFAOYSA-N 1 2 221.282 -1.905 20 0 BAADLO CC(C)(O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650656 343061067 /nfs/dbraw/zinc/06/10/67/343061067.db2.gz RGWVTMJHVLSTTR-UHFFFAOYSA-N 1 2 222.310 -1.009 20 0 BAADLO CC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650860 343061025 /nfs/dbraw/zinc/06/10/25/343061025.db2.gz XFYLPNFZOAWWIG-MRVPVSSYSA-N 1 2 222.310 -1.009 20 0 BAADLO CC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650861 343061166 /nfs/dbraw/zinc/06/11/66/343061166.db2.gz XFYLPNFZOAWWIG-QMMMGPOBSA-N 1 2 222.310 -1.009 20 0 BAADLO COC[C@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650895 343061132 /nfs/dbraw/zinc/06/11/32/343061132.db2.gz YIMCKNZJWDOLTK-MRVPVSSYSA-N 1 2 238.309 -1.773 20 0 BAADLO COC[C@@H](O)C[NH+]1CC(NS(C)(=O)=O)C1 ZINC000634650896 343061075 /nfs/dbraw/zinc/06/10/75/343061075.db2.gz YIMCKNZJWDOLTK-QMMMGPOBSA-N 1 2 238.309 -1.773 20 0 BAADLO CC(C)(CNC(=O)C(N)=O)[NH+]1CCOCC1 ZINC000635109933 345249068 /nfs/dbraw/zinc/24/90/68/345249068.db2.gz MBVPVDVCXMQINQ-UHFFFAOYSA-N 1 2 229.280 -1.301 20 0 BAADLO NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000635115908 345250844 /nfs/dbraw/zinc/25/08/44/345250844.db2.gz LFGPEYZSDCTSRY-SECBINFHSA-N 1 2 241.291 -1.205 20 0 BAADLO NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000635115920 345251149 /nfs/dbraw/zinc/25/11/49/345251149.db2.gz LFGPEYZSDCTSRY-VIFPVBQESA-N 1 2 241.291 -1.205 20 0 BAADLO CC(C)[C@@H](CNC(=O)C(N)=O)[NH+]1CCOCC1 ZINC000635175288 345263864 /nfs/dbraw/zinc/26/38/64/345263864.db2.gz XGLYCDMQIVVIJS-SECBINFHSA-N 1 2 243.307 -1.055 20 0 BAADLO CC(C)[C@H](CNC(=O)C(N)=O)[NH+]1CCOCC1 ZINC000635175289 345264340 /nfs/dbraw/zinc/26/43/40/345264340.db2.gz XGLYCDMQIVVIJS-VIFPVBQESA-N 1 2 243.307 -1.055 20 0 BAADLO O=C([C@H]1C[C@@H](O)C1)N1CC[NH+](CCO)CC1 ZINC000635248044 345284880 /nfs/dbraw/zinc/28/48/80/345284880.db2.gz GSFNVJYWSJTOBP-AOOOYVTPSA-N 1 2 228.292 -1.106 20 0 BAADLO CC1(C)C[N@@H+](CCNC(=O)C(N)=O)CCO1 ZINC000635466240 345383826 /nfs/dbraw/zinc/38/38/26/345383826.db2.gz LMWXCWCKZBJCKD-UHFFFAOYSA-N 1 2 229.280 -1.301 20 0 BAADLO CC1(C)C[N@H+](CCNC(=O)C(N)=O)CCO1 ZINC000635466240 345383825 /nfs/dbraw/zinc/38/38/25/345383825.db2.gz LMWXCWCKZBJCKD-UHFFFAOYSA-N 1 2 229.280 -1.301 20 0 BAADLO CC1(C)COCC[N@H+]1CCNC(=O)C(N)=O ZINC000635495930 345399145 /nfs/dbraw/zinc/39/91/45/345399145.db2.gz VZRZGYVJDZXCSC-UHFFFAOYSA-N 1 2 229.280 -1.301 20 0 BAADLO CC1(C)COCC[N@@H+]1CCNC(=O)C(N)=O ZINC000635495930 345399143 /nfs/dbraw/zinc/39/91/43/345399143.db2.gz VZRZGYVJDZXCSC-UHFFFAOYSA-N 1 2 229.280 -1.301 20 0 BAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000635518776 345411515 /nfs/dbraw/zinc/41/15/15/345411515.db2.gz YXQQDQHBCAHBQM-SSDOTTSWSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000635518783 345411304 /nfs/dbraw/zinc/41/13/04/345411304.db2.gz YXQQDQHBCAHBQM-ZETCQYMHSA-N 1 2 215.253 -2.003 20 0 BAADLO CCOCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000635544512 345558097 /nfs/dbraw/zinc/55/80/97/345558097.db2.gz AHMZTRGZBWVURO-UHFFFAOYSA-N 1 2 229.280 -1.348 20 0 BAADLO COCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC000635556684 345708971 /nfs/dbraw/zinc/70/89/71/345708971.db2.gz QTFYFXUHHDJQMJ-UHFFFAOYSA-N 1 2 215.253 -1.738 20 0 BAADLO NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000635617544 345895472 /nfs/dbraw/zinc/89/54/72/345895472.db2.gz GTBCWTTURCAWDS-SECBINFHSA-N 1 2 241.291 -1.205 20 0 BAADLO NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000635617547 345895216 /nfs/dbraw/zinc/89/52/16/345895216.db2.gz GTBCWTTURCAWDS-VIFPVBQESA-N 1 2 241.291 -1.205 20 0 BAADLO CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(=O)N1 ZINC000635767833 346058292 /nfs/dbraw/zinc/05/82/92/346058292.db2.gz RTTJGODAPJVDNJ-BHNWBGBOSA-N 1 2 249.274 -1.025 20 0 BAADLO CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(=O)N1 ZINC000635767833 346058289 /nfs/dbraw/zinc/05/82/89/346058289.db2.gz RTTJGODAPJVDNJ-BHNWBGBOSA-N 1 2 249.274 -1.025 20 0 BAADLO CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(=O)N1 ZINC000635767838 346058283 /nfs/dbraw/zinc/05/82/83/346058283.db2.gz RTTJGODAPJVDNJ-ZXFLCMHBSA-N 1 2 249.274 -1.025 20 0 BAADLO CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(=O)N1 ZINC000635767838 346058280 /nfs/dbraw/zinc/05/82/80/346058280.db2.gz RTTJGODAPJVDNJ-ZXFLCMHBSA-N 1 2 249.274 -1.025 20 0 BAADLO Cc1nc(N2CCN(C(=O)C(N)=O)CC2)cc[nH+]1 ZINC000635798232 346067050 /nfs/dbraw/zinc/06/70/50/346067050.db2.gz OJXKGZRWHYUXPK-UHFFFAOYSA-N 1 2 249.274 -1.081 20 0 BAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[N@H+]1CCO ZINC000635823604 346078745 /nfs/dbraw/zinc/07/87/45/346078745.db2.gz QRQRJPFABNDBML-SSDOTTSWSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@@H]1CN(C(=O)C(N)=O)CC[N@@H+]1CCO ZINC000635823604 346078744 /nfs/dbraw/zinc/07/87/44/346078744.db2.gz QRQRJPFABNDBML-SSDOTTSWSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@H]1CN(C(=O)C(N)=O)CC[N@H+]1CCO ZINC000635823605 346078409 /nfs/dbraw/zinc/07/84/09/346078409.db2.gz QRQRJPFABNDBML-ZETCQYMHSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@H]1CN(C(=O)C(N)=O)CC[N@@H+]1CCO ZINC000635823605 346078407 /nfs/dbraw/zinc/07/84/07/346078407.db2.gz QRQRJPFABNDBML-ZETCQYMHSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(N)=O ZINC000635870020 346092499 /nfs/dbraw/zinc/09/24/99/346092499.db2.gz RAZCOMCKNSZBRF-MRVPVSSYSA-N 1 2 229.280 -1.349 20 0 BAADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(N)=O ZINC000635870021 346092364 /nfs/dbraw/zinc/09/23/64/346092364.db2.gz RAZCOMCKNSZBRF-QMMMGPOBSA-N 1 2 229.280 -1.349 20 0 BAADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(N)=O ZINC000635918448 346109494 /nfs/dbraw/zinc/10/94/94/346109494.db2.gz BYWWUCQSMSVGLL-BDAKNGLRSA-N 1 2 241.291 -1.207 20 0 BAADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(N)=O ZINC000635918450 346109420 /nfs/dbraw/zinc/10/94/20/346109420.db2.gz BYWWUCQSMSVGLL-DTWKUNHWSA-N 1 2 241.291 -1.207 20 0 BAADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(N)=O ZINC000635918451 346109778 /nfs/dbraw/zinc/10/97/78/346109778.db2.gz BYWWUCQSMSVGLL-IUCAKERBSA-N 1 2 241.291 -1.207 20 0 BAADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(N)=O ZINC000635918452 346109666 /nfs/dbraw/zinc/10/96/66/346109666.db2.gz BYWWUCQSMSVGLL-RKDXNWHRSA-N 1 2 241.291 -1.207 20 0 BAADLO NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000635974961 346130105 /nfs/dbraw/zinc/13/01/05/346130105.db2.gz FTTMGPNOPIPSMR-SECBINFHSA-N 1 2 241.291 -1.205 20 0 BAADLO NC(=O)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000635974962 346130100 /nfs/dbraw/zinc/13/01/00/346130100.db2.gz FTTMGPNOPIPSMR-VIFPVBQESA-N 1 2 241.291 -1.205 20 0 BAADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C(N)=O ZINC000636011190 346152933 /nfs/dbraw/zinc/15/29/33/346152933.db2.gz BZGOINQIJHPSMQ-SSDOTTSWSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)C(N)=O ZINC000636011190 346152930 /nfs/dbraw/zinc/15/29/30/346152930.db2.gz BZGOINQIJHPSMQ-SSDOTTSWSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)C(N)=O ZINC000636011191 346153157 /nfs/dbraw/zinc/15/31/57/346153157.db2.gz BZGOINQIJHPSMQ-ZETCQYMHSA-N 1 2 215.253 -2.003 20 0 BAADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)C(N)=O ZINC000636011191 346153154 /nfs/dbraw/zinc/15/31/54/346153154.db2.gz BZGOINQIJHPSMQ-ZETCQYMHSA-N 1 2 215.253 -2.003 20 0 BAADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C(N)=O ZINC000636026965 346161362 /nfs/dbraw/zinc/16/13/62/346161362.db2.gz VBCYRZAZRSWACW-UHFFFAOYSA-N 1 2 229.280 -1.301 20 0 BAADLO NC(=O)C(=O)N1CC[NH+](CCCF)CC1 ZINC000636101606 346319983 /nfs/dbraw/zinc/31/99/83/346319983.db2.gz JTNIUSLHMRIKLF-UHFFFAOYSA-N 1 2 217.244 -1.025 20 0 BAADLO C[C@@H]1C[N@@H+](CCNC(=O)C(N)=O)[C@H](C)CO1 ZINC000636171291 346344360 /nfs/dbraw/zinc/34/43/60/346344360.db2.gz HPGPAJRPXFIGDE-HTQZYQBOSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@@H]1C[N@H+](CCNC(=O)C(N)=O)[C@H](C)CO1 ZINC000636171291 346344357 /nfs/dbraw/zinc/34/43/57/346344357.db2.gz HPGPAJRPXFIGDE-HTQZYQBOSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@@H]1C[N@@H+](CCNC(=O)C(N)=O)[C@@H](C)CO1 ZINC000636171292 346344026 /nfs/dbraw/zinc/34/40/26/346344026.db2.gz HPGPAJRPXFIGDE-JGVFFNPUSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@@H]1C[N@H+](CCNC(=O)C(N)=O)[C@@H](C)CO1 ZINC000636171292 346344024 /nfs/dbraw/zinc/34/40/24/346344024.db2.gz HPGPAJRPXFIGDE-JGVFFNPUSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(N)=O ZINC000636171293 346344011 /nfs/dbraw/zinc/34/40/11/346344011.db2.gz HPGPAJRPXFIGDE-SFYZADRCSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(N)=O ZINC000636171293 346344007 /nfs/dbraw/zinc/34/40/07/346344007.db2.gz HPGPAJRPXFIGDE-SFYZADRCSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@H]1C[N@@H+](CCNC(=O)C(N)=O)[C@@H](C)CO1 ZINC000636171294 346343976 /nfs/dbraw/zinc/34/39/76/346343976.db2.gz HPGPAJRPXFIGDE-YUMQZZPRSA-N 1 2 229.280 -1.303 20 0 BAADLO C[C@H]1C[N@H+](CCNC(=O)C(N)=O)[C@@H](C)CO1 ZINC000636171294 346343974 /nfs/dbraw/zinc/34/39/74/346343974.db2.gz HPGPAJRPXFIGDE-YUMQZZPRSA-N 1 2 229.280 -1.303 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCC(N)=O ZINC000636530619 347315195 /nfs/dbraw/zinc/31/51/95/347315195.db2.gz IFWJWGALHMDHQG-MRVPVSSYSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC(N)=O ZINC000636530619 347315193 /nfs/dbraw/zinc/31/51/93/347315193.db2.gz IFWJWGALHMDHQG-MRVPVSSYSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC(N)=O ZINC000636530620 347315202 /nfs/dbraw/zinc/31/52/02/347315202.db2.gz IFWJWGALHMDHQG-QMMMGPOBSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC(N)=O ZINC000636530620 347315200 /nfs/dbraw/zinc/31/52/00/347315200.db2.gz IFWJWGALHMDHQG-QMMMGPOBSA-N 1 2 244.295 -1.508 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC(CO)C1 ZINC000637442798 350585987 /nfs/dbraw/zinc/58/59/87/350585987.db2.gz SIPVLAZKXAMGFY-JTQLQIEISA-N 1 2 243.307 -1.049 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC(CO)C1 ZINC000637442798 350585985 /nfs/dbraw/zinc/58/59/85/350585985.db2.gz SIPVLAZKXAMGFY-JTQLQIEISA-N 1 2 243.307 -1.049 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC(CO)C1 ZINC000637442809 350586164 /nfs/dbraw/zinc/58/61/64/350586164.db2.gz SIPVLAZKXAMGFY-SNVBAGLBSA-N 1 2 243.307 -1.049 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC(CO)C1 ZINC000637442809 350586161 /nfs/dbraw/zinc/58/61/61/350586161.db2.gz SIPVLAZKXAMGFY-SNVBAGLBSA-N 1 2 243.307 -1.049 20 0 BAADLO C[C@@H](O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443659 350585015 /nfs/dbraw/zinc/58/50/15/350585015.db2.gz YRKQZFLJZPSPRS-BDAKNGLRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@@H](O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443659 350585013 /nfs/dbraw/zinc/58/50/13/350585013.db2.gz YRKQZFLJZPSPRS-BDAKNGLRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@@H](O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443660 350585116 /nfs/dbraw/zinc/58/51/16/350585116.db2.gz YRKQZFLJZPSPRS-RKDXNWHRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@@H](O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443660 350585115 /nfs/dbraw/zinc/58/51/15/350585115.db2.gz YRKQZFLJZPSPRS-RKDXNWHRSA-N 1 2 231.296 -1.003 20 0 BAADLO CN(CCO)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444347 350585202 /nfs/dbraw/zinc/58/52/02/350585202.db2.gz QOQLWUCSZLQEGU-SECBINFHSA-N 1 2 231.296 -1.049 20 0 BAADLO CN(CCO)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444347 350585200 /nfs/dbraw/zinc/58/52/00/350585200.db2.gz QOQLWUCSZLQEGU-SECBINFHSA-N 1 2 231.296 -1.049 20 0 BAADLO CN(CCO)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444348 350585514 /nfs/dbraw/zinc/58/55/14/350585514.db2.gz QOQLWUCSZLQEGU-VIFPVBQESA-N 1 2 231.296 -1.049 20 0 BAADLO CN(CCO)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444348 350585512 /nfs/dbraw/zinc/58/55/12/350585512.db2.gz QOQLWUCSZLQEGU-VIFPVBQESA-N 1 2 231.296 -1.049 20 0 BAADLO C[C@H](O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445674 350586990 /nfs/dbraw/zinc/58/69/90/350586990.db2.gz YRKQZFLJZPSPRS-DTWKUNHWSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445674 350586988 /nfs/dbraw/zinc/58/69/88/350586988.db2.gz YRKQZFLJZPSPRS-DTWKUNHWSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445675 350586998 /nfs/dbraw/zinc/58/69/98/350586998.db2.gz YRKQZFLJZPSPRS-IUCAKERBSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445675 350586995 /nfs/dbraw/zinc/58/69/95/350586995.db2.gz YRKQZFLJZPSPRS-IUCAKERBSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](CO)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637446180 350587175 /nfs/dbraw/zinc/58/71/75/350587175.db2.gz JZQXUAIVHBQWGP-BDAKNGLRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](CO)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637446180 350587173 /nfs/dbraw/zinc/58/71/73/350587173.db2.gz JZQXUAIVHBQWGP-BDAKNGLRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](CO)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637446181 350587011 /nfs/dbraw/zinc/58/70/11/350587011.db2.gz JZQXUAIVHBQWGP-RKDXNWHRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[C@H](CO)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637446181 350587008 /nfs/dbraw/zinc/58/70/08/350587008.db2.gz JZQXUAIVHBQWGP-RKDXNWHRSA-N 1 2 231.296 -1.003 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NC(CO)CO ZINC000637446643 350586932 /nfs/dbraw/zinc/58/69/32/350586932.db2.gz KYGMDTZORHNSOV-SECBINFHSA-N 1 2 247.295 -2.031 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NC(CO)CO ZINC000637446643 350586929 /nfs/dbraw/zinc/58/69/29/350586929.db2.gz KYGMDTZORHNSOV-SECBINFHSA-N 1 2 247.295 -2.031 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC(CO)CO ZINC000637446645 350586903 /nfs/dbraw/zinc/58/69/03/350586903.db2.gz KYGMDTZORHNSOV-VIFPVBQESA-N 1 2 247.295 -2.031 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(CO)CO ZINC000637446645 350586901 /nfs/dbraw/zinc/58/69/01/350586901.db2.gz KYGMDTZORHNSOV-VIFPVBQESA-N 1 2 247.295 -2.031 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCCO ZINC000637446797 350587690 /nfs/dbraw/zinc/58/76/90/350587690.db2.gz SQHLBFPWQGMWIU-SECBINFHSA-N 1 2 231.296 -1.001 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCO ZINC000637446797 350587687 /nfs/dbraw/zinc/58/76/87/350587687.db2.gz SQHLBFPWQGMWIU-SECBINFHSA-N 1 2 231.296 -1.001 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCO ZINC000637446799 350587621 /nfs/dbraw/zinc/58/76/21/350587621.db2.gz SQHLBFPWQGMWIU-VIFPVBQESA-N 1 2 231.296 -1.001 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCO ZINC000637446799 350587618 /nfs/dbraw/zinc/58/76/18/350587618.db2.gz SQHLBFPWQGMWIU-VIFPVBQESA-N 1 2 231.296 -1.001 20 0 BAADLO COCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637867452 351731015 /nfs/dbraw/zinc/73/10/15/351731015.db2.gz IWKCYCKSGSDJKI-MRVPVSSYSA-N 1 2 229.280 -1.431 20 0 BAADLO COCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637867453 351731202 /nfs/dbraw/zinc/73/12/02/351731202.db2.gz IWKCYCKSGSDJKI-QMMMGPOBSA-N 1 2 229.280 -1.431 20 0 BAADLO COCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637871081 351737518 /nfs/dbraw/zinc/73/75/18/351737518.db2.gz ZMDKMTDWMRXCIG-SECBINFHSA-N 1 2 243.307 -1.041 20 0 BAADLO COCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637871082 351737260 /nfs/dbraw/zinc/73/72/60/351737260.db2.gz ZMDKMTDWMRXCIG-VIFPVBQESA-N 1 2 243.307 -1.041 20 0 BAADLO C[C@H](C(=O)N1CCOCC1)N1CC[NH2+]CC1=O ZINC000637871404 351737933 /nfs/dbraw/zinc/73/79/33/351737933.db2.gz PKAFGMIHLUHIEW-SECBINFHSA-N 1 2 241.291 -1.335 20 0 BAADLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH2+]CC1=O ZINC000637871405 351738340 /nfs/dbraw/zinc/73/83/40/351738340.db2.gz PKAFGMIHLUHIEW-VIFPVBQESA-N 1 2 241.291 -1.335 20 0 BAADLO COC[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637877186 351742694 /nfs/dbraw/zinc/74/26/94/351742694.db2.gz SASJPDAVFQWLIY-BDAKNGLRSA-N 1 2 243.307 -1.042 20 0 BAADLO COC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637877189 351742994 /nfs/dbraw/zinc/74/29/94/351742994.db2.gz SASJPDAVFQWLIY-RKDXNWHRSA-N 1 2 243.307 -1.042 20 0 BAADLO CNC(=O)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637887983 351755544 /nfs/dbraw/zinc/75/55/44/351755544.db2.gz AXSXAOMILSEDOM-SSDOTTSWSA-N 1 2 242.279 -2.331 20 0 BAADLO CNC(=O)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637887986 351755777 /nfs/dbraw/zinc/75/57/77/351755777.db2.gz AXSXAOMILSEDOM-ZETCQYMHSA-N 1 2 242.279 -2.331 20 0 BAADLO CCOCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637908009 351781104 /nfs/dbraw/zinc/78/11/04/351781104.db2.gz XNZMGURAZOQNOZ-SECBINFHSA-N 1 2 243.307 -1.041 20 0 BAADLO CCOCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637908010 351781048 /nfs/dbraw/zinc/78/10/48/351781048.db2.gz XNZMGURAZOQNOZ-VIFPVBQESA-N 1 2 243.307 -1.041 20 0 BAADLO COCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637908120 351781629 /nfs/dbraw/zinc/78/16/29/351781629.db2.gz YHVLUAAINNKTJR-SECBINFHSA-N 1 2 243.307 -1.089 20 0 BAADLO COCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637908122 351781516 /nfs/dbraw/zinc/78/15/16/351781516.db2.gz YHVLUAAINNKTJR-VIFPVBQESA-N 1 2 243.307 -1.089 20 0 BAADLO [NH3+]CC(F)(F)CNC(=O)C1CS(=O)(=O)C1 ZINC000638174218 352042906 /nfs/dbraw/zinc/04/29/06/352042906.db2.gz LHPFDAMRVUCKIQ-UHFFFAOYSA-N 1 2 242.247 -1.259 20 0 BAADLO CO[C@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638282664 352118756 /nfs/dbraw/zinc/11/87/56/352118756.db2.gz TYXOQWYVHQHVLT-BDAKNGLRSA-N 1 2 243.307 -1.042 20 0 BAADLO CO[C@@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638282665 352118711 /nfs/dbraw/zinc/11/87/11/352118711.db2.gz TYXOQWYVHQHVLT-DTWKUNHWSA-N 1 2 243.307 -1.042 20 0 BAADLO CO[C@@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638282666 352118902 /nfs/dbraw/zinc/11/89/02/352118902.db2.gz TYXOQWYVHQHVLT-IUCAKERBSA-N 1 2 243.307 -1.042 20 0 BAADLO CO[C@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638282667 352118822 /nfs/dbraw/zinc/11/88/22/352118822.db2.gz TYXOQWYVHQHVLT-RKDXNWHRSA-N 1 2 243.307 -1.042 20 0 BAADLO C[C@H](C(=O)N[C@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000638287366 352123906 /nfs/dbraw/zinc/12/39/06/352123906.db2.gz VLHVICZUBFSLEP-BDAKNGLRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H](C(=O)N[C@@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000638287373 352123921 /nfs/dbraw/zinc/12/39/21/352123921.db2.gz VLHVICZUBFSLEP-DTWKUNHWSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H](C(=O)N[C@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000638287377 352123761 /nfs/dbraw/zinc/12/37/61/352123761.db2.gz VLHVICZUBFSLEP-IUCAKERBSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H](C(=O)N[C@@H]1CCOC1)N1CC[NH2+]CC1=O ZINC000638287381 352123482 /nfs/dbraw/zinc/12/34/82/352123482.db2.gz VLHVICZUBFSLEP-RKDXNWHRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H](C(=O)N1CCCCN1)N1CC[NH2+]CC1=O ZINC000638382364 352193894 /nfs/dbraw/zinc/19/38/94/352193894.db2.gz VPGFMECBBMMAOL-SECBINFHSA-N 1 2 240.307 -1.066 20 0 BAADLO C[C@@H](C(=O)N1CCCCN1)N1CC[NH2+]CC1=O ZINC000638382365 352193930 /nfs/dbraw/zinc/19/39/30/352193930.db2.gz VPGFMECBBMMAOL-VIFPVBQESA-N 1 2 240.307 -1.066 20 0 BAADLO C[C@H](C(=O)NC/C=C/CO)N1CC[NH2+]CC1=O ZINC000638405682 352212247 /nfs/dbraw/zinc/21/22/47/352212247.db2.gz GAGCWPPVRWNLHK-GKQMSVHHSA-N 1 2 241.291 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-1.515 20 0 BAADLO C[C@H]1C[N@@H+](CCCS(N)(=O)=O)CC(=O)N1 ZINC000639667018 356573287 /nfs/dbraw/zinc/57/32/87/356573287.db2.gz YPQYSJVENHUJHL-ZETCQYMHSA-N 1 2 235.309 -1.515 20 0 BAADLO C[C@H]1C[N@H+](CCCS(N)(=O)=O)CC(=O)N1 ZINC000639667018 356573283 /nfs/dbraw/zinc/57/32/83/356573283.db2.gz YPQYSJVENHUJHL-ZETCQYMHSA-N 1 2 235.309 -1.515 20 0 BAADLO CN(C)C(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639669360 356583778 /nfs/dbraw/zinc/58/37/78/356583778.db2.gz SGBHOGLIMFLMQQ-IUCAKERBSA-N 1 2 241.291 -1.336 20 0 BAADLO CN(C)C(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639669360 356583774 /nfs/dbraw/zinc/58/37/74/356583774.db2.gz SGBHOGLIMFLMQQ-IUCAKERBSA-N 1 2 241.291 -1.336 20 0 BAADLO CN(C)C(=O)C[N@H+]1CCOC[C@H]1CC(N)=O ZINC000639670953 356586988 /nfs/dbraw/zinc/58/69/88/356586988.db2.gz JUSOPEIVMYGLTL-MRVPVSSYSA-N 1 2 229.280 -1.349 20 0 BAADLO CN(C)C(=O)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000639670953 356586985 /nfs/dbraw/zinc/58/69/85/356586985.db2.gz JUSOPEIVMYGLTL-MRVPVSSYSA-N 1 2 229.280 -1.349 20 0 BAADLO CN(C)C(=O)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000639670954 356586472 /nfs/dbraw/zinc/58/64/72/356586472.db2.gz JUSOPEIVMYGLTL-QMMMGPOBSA-N 1 2 229.280 -1.349 20 0 BAADLO CN(C)C(=O)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000639670954 356586469 /nfs/dbraw/zinc/58/64/69/356586469.db2.gz JUSOPEIVMYGLTL-QMMMGPOBSA-N 1 2 229.280 -1.349 20 0 BAADLO COC[C@@H](C)[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639671096 356587379 /nfs/dbraw/zinc/58/73/79/356587379.db2.gz RSKVWVSIAVOIAM-MRVPVSSYSA-N 1 2 229.280 -1.349 20 0 BAADLO COC[C@@H](C)[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639671096 356587377 /nfs/dbraw/zinc/58/73/77/356587377.db2.gz RSKVWVSIAVOIAM-MRVPVSSYSA-N 1 2 229.280 -1.349 20 0 BAADLO COC[C@H](C)[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639671097 356587444 /nfs/dbraw/zinc/58/74/44/356587444.db2.gz RSKVWVSIAVOIAM-QMMMGPOBSA-N 1 2 229.280 -1.349 20 0 BAADLO COC[C@H](C)[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000639671097 356587441 /nfs/dbraw/zinc/58/74/41/356587441.db2.gz RSKVWVSIAVOIAM-QMMMGPOBSA-N 1 2 229.280 -1.349 20 0 BAADLO C[C@H](C(N)=O)[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639727949 356621470 /nfs/dbraw/zinc/62/14/70/356621470.db2.gz BQXSJTLSDSNXLT-SSDOTTSWSA-N 1 2 224.268 -1.200 20 0 BAADLO C[C@@H](C(N)=O)[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639727968 356621397 /nfs/dbraw/zinc/62/13/97/356621397.db2.gz BQXSJTLSDSNXLT-ZETCQYMHSA-N 1 2 224.268 -1.200 20 0 BAADLO CNC(=O)C[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639729115 356623567 /nfs/dbraw/zinc/62/35/67/356623567.db2.gz UUDJGZPINTUAJK-UHFFFAOYSA-N 1 2 224.268 -1.327 20 0 BAADLO O=C1NCC[C@H]1[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639732135 356622318 /nfs/dbraw/zinc/62/23/18/356622318.db2.gz CIZGZLQSEHMWBE-MRVPVSSYSA-N 1 2 236.279 -1.185 20 0 BAADLO O=C1NCC[C@@H]1[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639732145 356623404 /nfs/dbraw/zinc/62/34/04/356623404.db2.gz CIZGZLQSEHMWBE-QMMMGPOBSA-N 1 2 236.279 -1.185 20 0 BAADLO CO[C@H]1C[N@@H+](CCCS(N)(=O)=O)CCO1 ZINC000639835147 356824737 /nfs/dbraw/zinc/82/47/37/356824737.db2.gz BDXMERIYLGLXTP-MRVPVSSYSA-N 1 2 238.309 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-1.230 20 0 BAADLO NC(=O)[C@H]1C[NH+](CC(F)F)C[C@@H]1C(N)=O ZINC000639848168 356846347 /nfs/dbraw/zinc/84/63/47/356846347.db2.gz XRQLELQAOGWNDT-WHFBIAKZSA-N 1 2 221.207 -1.230 20 0 BAADLO C[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@@H](CO)C1 ZINC000639872413 357042487 /nfs/dbraw/zinc/04/24/87/357042487.db2.gz QBKKWUJLUQXZPW-SSDOTTSWSA-N 1 2 227.268 -1.381 20 0 BAADLO C[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@@H](CO)C1 ZINC000639872413 357042485 /nfs/dbraw/zinc/04/24/85/357042485.db2.gz QBKKWUJLUQXZPW-SSDOTTSWSA-N 1 2 227.268 -1.381 20 0 BAADLO C[N@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@H](CO)C1 ZINC000639872414 357042508 /nfs/dbraw/zinc/04/25/08/357042508.db2.gz QBKKWUJLUQXZPW-ZETCQYMHSA-N 1 2 227.268 -1.381 20 0 BAADLO C[N@@H+]1CCN(Cc2n[nH]c(=O)[nH]2)[C@H](CO)C1 ZINC000639872414 357042506 /nfs/dbraw/zinc/04/25/06/357042506.db2.gz QBKKWUJLUQXZPW-ZETCQYMHSA-N 1 2 227.268 -1.381 20 0 BAADLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCO ZINC000640102241 358195514 /nfs/dbraw/zinc/19/55/14/358195514.db2.gz 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208.225 -1.047 20 0 BAADLO Cc1cc(N2CC(O)(C(N)=O)C2)nc[nH+]1 ZINC000641676795 362598443 /nfs/dbraw/zinc/59/84/43/362598443.db2.gz QSLDKWYGXBQFTP-UHFFFAOYSA-N 1 2 208.221 -1.179 20 0 BAADLO Cc1nc(N2CC(O)(C(N)=O)C2)cc[nH+]1 ZINC000641677323 362598695 /nfs/dbraw/zinc/59/86/95/362598695.db2.gz VCFJMOIYJKNDMF-UHFFFAOYSA-N 1 2 208.221 -1.179 20 0 BAADLO CNC(=O)NCC[NH+]1CCN(C(=O)NC)CC1 ZINC000642218453 362932636 /nfs/dbraw/zinc/93/26/36/362932636.db2.gz QYDGHZKOKPNZNY-UHFFFAOYSA-N 1 2 243.311 -1.128 20 0 BAADLO CC(C)OCCNC(=O)CN1CC[NH2+]CC1=O ZINC000646460743 388362054 /nfs/dbraw/zinc/36/20/54/388362054.db2.gz VUQRKXGXHYCAAX-UHFFFAOYSA-N 1 2 243.307 -1.041 20 0 BAADLO O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCOC1 ZINC000646469072 388362741 /nfs/dbraw/zinc/36/27/41/388362741.db2.gz ODRRYNMLLFNBNM-MRVPVSSYSA-N 1 2 227.264 -1.677 20 0 BAADLO O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCOC1 ZINC000646469073 388363138 /nfs/dbraw/zinc/36/31/38/388363138.db2.gz ODRRYNMLLFNBNM-QMMMGPOBSA-N 1 2 227.264 -1.677 20 0 BAADLO Cn1[nH]cnc1=NCC[NH+]1CCOCC1 ZINC000647845488 385885563 /nfs/dbraw/zinc/88/55/63/385885563.db2.gz MEGMVBRRNUFWKF-UHFFFAOYSA-N 1 2 211.269 -1.019 20 0 BAADLO OCCOCCNc1nc[nH+]c2c1OCCN2 ZINC000647846090 385887538 /nfs/dbraw/zinc/88/75/38/385887538.db2.gz OOLCIVVRLHQACK-UHFFFAOYSA-N 1 2 240.263 -1.186 20 0 BAADLO OCCOCCNc1[nH+]cnc2c1OCCN2 ZINC000647846090 385887534 /nfs/dbraw/zinc/88/75/34/385887534.db2.gz OOLCIVVRLHQACK-UHFFFAOYSA-N 1 2 240.263 -1.186 20 0 BAADLO CC(=O)NCCNc1nc[nH+]c2c1OCCN2 ZINC000647846834 385906204 /nfs/dbraw/zinc/90/62/04/385906204.db2.gz USXFGULFYOBHSM-UHFFFAOYSA-N 1 2 237.263 -1.059 20 0 BAADLO CC(=O)NCCNc1[nH+]cnc2c1OCCN2 ZINC000647846834 385906200 /nfs/dbraw/zinc/90/62/00/385906200.db2.gz USXFGULFYOBHSM-UHFFFAOYSA-N 1 2 237.263 -1.059 20 0 BAADLO CNC(=O)C[NH+]1CCN(c2ncnn2C)CC1 ZINC000647856213 385911663 /nfs/dbraw/zinc/91/16/63/385911663.db2.gz SXSCBYSCNIHPPC-UHFFFAOYSA-N 1 2 238.295 -1.317 20 0 BAADLO C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000647874461 386140771 /nfs/dbraw/zinc/14/07/71/386140771.db2.gz YJUPOAXXFXOQFZ-UKKRHICBSA-N 1 2 238.335 -1.447 20 0 BAADLO C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C[NH3+])C1 ZINC000647874462 386140740 /nfs/dbraw/zinc/14/07/40/386140740.db2.gz YJUPOAXXFXOQFZ-ZNSHCXBVSA-N 1 2 238.335 -1.447 20 0 BAADLO CCN1OC[C@H]([N@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000647971464 386507356 /nfs/dbraw/zinc/50/73/56/386507356.db2.gz JRWZXXWOFKYFKF-CIUDSAMLSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000647971464 386507353 /nfs/dbraw/zinc/50/73/53/386507353.db2.gz JRWZXXWOFKYFKF-CIUDSAMLSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@@H]([N@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000647971467 386506813 /nfs/dbraw/zinc/50/68/13/386506813.db2.gz JRWZXXWOFKYFKF-XHNCKOQMSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@@H]([N@@H+]2C[C@@H](O)C[C@H]2CO)C1=O ZINC000647971467 386506809 /nfs/dbraw/zinc/50/68/09/386506809.db2.gz JRWZXXWOFKYFKF-XHNCKOQMSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@H+]2C[C@H](O)C[C@H]2CO)C1=O ZINC000647971468 386507548 /nfs/dbraw/zinc/50/75/48/386507548.db2.gz JRWZXXWOFKYFKF-YIZRAAEISA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@@H+]2C[C@H](O)C[C@H]2CO)C1=O ZINC000647971468 386507543 /nfs/dbraw/zinc/50/75/43/386507543.db2.gz JRWZXXWOFKYFKF-YIZRAAEISA-N 1 2 230.264 -1.424 20 0 BAADLO C[C@@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000649159725 388882825 /nfs/dbraw/zinc/88/28/25/388882825.db2.gz UPCVZDJIYQYNOT-BDAKNGLRSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000649159725 388882823 /nfs/dbraw/zinc/88/28/23/388882823.db2.gz UPCVZDJIYQYNOT-BDAKNGLRSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@H]1C(=O)N(C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000649159726 388882916 /nfs/dbraw/zinc/88/29/16/388882916.db2.gz UPCVZDJIYQYNOT-DTWKUNHWSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@H]1C(=O)N(C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000649159726 388882915 /nfs/dbraw/zinc/88/29/15/388882915.db2.gz UPCVZDJIYQYNOT-DTWKUNHWSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000649159727 388882497 /nfs/dbraw/zinc/88/24/97/388882497.db2.gz UPCVZDJIYQYNOT-IUCAKERBSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@H]1C(=O)N(C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000649159727 388882494 /nfs/dbraw/zinc/88/24/94/388882494.db2.gz UPCVZDJIYQYNOT-IUCAKERBSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@@H]1C(=O)N(C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000649159728 388882323 /nfs/dbraw/zinc/88/23/23/388882323.db2.gz UPCVZDJIYQYNOT-RKDXNWHRSA-N 1 2 241.291 -1.036 20 0 BAADLO C[C@@H]1C(=O)N(C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000649159728 388882319 /nfs/dbraw/zinc/88/23/19/388882319.db2.gz UPCVZDJIYQYNOT-RKDXNWHRSA-N 1 2 241.291 -1.036 20 0 BAADLO CC(C)(O)CC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000649627231 398008992 /nfs/dbraw/zinc/00/89/92/398008992.db2.gz YTYQQLZZGGGMME-UHFFFAOYSA-N 1 2 243.307 -1.223 20 0 BAADLO CC(C)(O)CC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000649627231 398008991 /nfs/dbraw/zinc/00/89/91/398008991.db2.gz YTYQQLZZGGGMME-UHFFFAOYSA-N 1 2 243.307 -1.223 20 0 BAADLO CNS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000650208888 397987144 /nfs/dbraw/zinc/98/71/44/397987144.db2.gz FMEHNLPFIGTXQF-DTORHVGOSA-N 1 2 249.336 -1.097 20 0 BAADLO CNS(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000650208888 397987142 /nfs/dbraw/zinc/98/71/42/397987142.db2.gz FMEHNLPFIGTXQF-DTORHVGOSA-N 1 2 249.336 -1.097 20 0 BAADLO CN(C)S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651881870 411148976 /nfs/dbraw/zinc/14/89/76/411148976.db2.gz SGIDZQFBHBUFFJ-SECBINFHSA-N 1 2 249.336 -1.456 20 0 BAADLO CN(C)S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651881870 411148975 /nfs/dbraw/zinc/14/89/75/411148975.db2.gz SGIDZQFBHBUFFJ-SECBINFHSA-N 1 2 249.336 -1.456 20 0 BAADLO CS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651881894 411149028 /nfs/dbraw/zinc/14/90/28/411149028.db2.gz UCARVUWORSVQOH-MRVPVSSYSA-N 1 2 220.294 -1.303 20 0 BAADLO CS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651881894 411149027 /nfs/dbraw/zinc/14/90/27/411149027.db2.gz UCARVUWORSVQOH-MRVPVSSYSA-N 1 2 220.294 -1.303 20 0 BAADLO C[N@H+]1CCN(C(=O)CO)C[C@H]1CNC(=O)CO ZINC000652497769 411261256 /nfs/dbraw/zinc/26/12/56/411261256.db2.gz HILZXNDFDOULDK-MRVPVSSYSA-N 1 2 245.279 -2.770 20 0 BAADLO C[N@@H+]1CCN(C(=O)CO)C[C@H]1CNC(=O)CO ZINC000652497769 411261253 /nfs/dbraw/zinc/26/12/53/411261253.db2.gz HILZXNDFDOULDK-MRVPVSSYSA-N 1 2 245.279 -2.770 20 0 BAADLO C[N@H+]1CCN(C(=O)CO)C[C@@H]1CNC(=O)CO ZINC000652497770 411261886 /nfs/dbraw/zinc/26/18/86/411261886.db2.gz HILZXNDFDOULDK-QMMMGPOBSA-N 1 2 245.279 -2.770 20 0 BAADLO C[N@@H+]1CCN(C(=O)CO)C[C@@H]1CNC(=O)CO ZINC000652497770 411261882 /nfs/dbraw/zinc/26/18/82/411261882.db2.gz HILZXNDFDOULDK-QMMMGPOBSA-N 1 2 245.279 -2.770 20 0 BAADLO O=C(CN1CC[NH2+]CC1=O)N1CCCCN1 ZINC000653170503 410137787 /nfs/dbraw/zinc/13/77/87/410137787.db2.gz HHKMTFGHLWUPKH-UHFFFAOYSA-N 1 2 226.280 -1.455 20 0 BAADLO CC(C)(C)n1nnc(C[NH2+]C(CO)CO)n1 ZINC000653734324 411278723 /nfs/dbraw/zinc/27/87/23/411278723.db2.gz FDKLEGNYNRQLCY-UHFFFAOYSA-N 1 2 229.284 -1.129 20 0 BAADLO CCc1nnc(C[NH2+]C(CO)CO)[nH]1 ZINC000653734649 411279216 /nfs/dbraw/zinc/27/92/16/411279216.db2.gz PYYKDNAGEYNPTO-UHFFFAOYSA-N 1 2 200.242 -1.190 20 0 BAADLO CC1(C)C[NH+](CC(=O)NC(CO)CO)C1 ZINC000654976155 411469827 /nfs/dbraw/zinc/46/98/27/411469827.db2.gz CXRNADHHHNCHFB-UHFFFAOYSA-N 1 2 216.281 -1.202 20 0 BAADLO COc1c(N)nc[nH+]c1N1C[C@H](O)C[C@H](O)C1 ZINC000656135664 411184771 /nfs/dbraw/zinc/18/47/71/411184771.db2.gz KYTZCGKSNHLAKO-KNVOCYPGSA-N 1 2 240.263 -1.001 20 0 BAADLO COc1c(N)[nH+]cnc1N1C[C@H](O)C[C@H](O)C1 ZINC000656135664 411184770 /nfs/dbraw/zinc/18/47/70/411184770.db2.gz KYTZCGKSNHLAKO-KNVOCYPGSA-N 1 2 240.263 -1.001 20 0 BAADLO C[C@@H]1C[N@@H+](CCNS(N)(=O)=O)[C@H](C)CO1 ZINC000657089315 411403094 /nfs/dbraw/zinc/40/30/94/411403094.db2.gz MQBNSFYTIYKDEK-HTQZYQBOSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@@H]1C[N@H+](CCNS(N)(=O)=O)[C@H](C)CO1 ZINC000657089315 411403089 /nfs/dbraw/zinc/40/30/89/411403089.db2.gz MQBNSFYTIYKDEK-HTQZYQBOSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@@H]1C[N@@H+](CCNS(N)(=O)=O)[C@@H](C)CO1 ZINC000657089316 411403699 /nfs/dbraw/zinc/40/36/99/411403699.db2.gz MQBNSFYTIYKDEK-JGVFFNPUSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@@H]1C[N@H+](CCNS(N)(=O)=O)[C@@H](C)CO1 ZINC000657089316 411403697 /nfs/dbraw/zinc/40/36/97/411403697.db2.gz MQBNSFYTIYKDEK-JGVFFNPUSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(N)(=O)=O ZINC000657089317 411403290 /nfs/dbraw/zinc/40/32/90/411403290.db2.gz MQBNSFYTIYKDEK-SFYZADRCSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(N)(=O)=O ZINC000657089317 411403288 /nfs/dbraw/zinc/40/32/88/411403288.db2.gz MQBNSFYTIYKDEK-SFYZADRCSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@H]1C[N@@H+](CCNS(N)(=O)=O)[C@@H](C)CO1 ZINC000657089318 411403830 /nfs/dbraw/zinc/40/38/30/411403830.db2.gz MQBNSFYTIYKDEK-YUMQZZPRSA-N 1 2 237.325 -1.111 20 0 BAADLO C[C@H]1C[N@H+](CCNS(N)(=O)=O)[C@@H](C)CO1 ZINC000657089318 411403827 /nfs/dbraw/zinc/40/38/27/411403827.db2.gz MQBNSFYTIYKDEK-YUMQZZPRSA-N 1 2 237.325 -1.111 20 0 BAADLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)CO)n1 ZINC000657454391 411514631 /nfs/dbraw/zinc/51/46/31/411514631.db2.gz KCWGUSMSJQEKTG-SSDOTTSWSA-N 1 2 229.284 -1.129 20 0 BAADLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)CO)n1 ZINC000657454392 411514524 /nfs/dbraw/zinc/51/45/24/411514524.db2.gz KCWGUSMSJQEKTG-ZETCQYMHSA-N 1 2 229.284 -1.129 20 0 BAADLO OCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000659828578 411311869 /nfs/dbraw/zinc/31/18/69/411311869.db2.gz HPKFVUWXXPLRPA-UHFFFAOYSA-N 1 2 211.269 -1.085 20 0 BAADLO OCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000659828578 411311867 /nfs/dbraw/zinc/31/18/67/411311867.db2.gz HPKFVUWXXPLRPA-UHFFFAOYSA-N 1 2 211.269 -1.085 20 0 BAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCO ZINC000659834796 411469701 /nfs/dbraw/zinc/46/97/01/411469701.db2.gz SHDMTXRPDVGTTF-JGVFFNPUSA-N 1 2 223.294 -1.278 20 0 BAADLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCO ZINC000659834796 411469698 /nfs/dbraw/zinc/46/96/98/411469698.db2.gz SHDMTXRPDVGTTF-JGVFFNPUSA-N 1 2 223.294 -1.278 20 0 BAADLO CCN1CC[C@@H]([N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000659863060 411481058 /nfs/dbraw/zinc/48/10/58/411481058.db2.gz FXSFKAHGCQAUCN-BDAKNGLRSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@@H]([N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000659863060 411481056 /nfs/dbraw/zinc/48/10/56/411481056.db2.gz FXSFKAHGCQAUCN-BDAKNGLRSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@H]([N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000659863061 411481898 /nfs/dbraw/zinc/48/18/98/411481898.db2.gz FXSFKAHGCQAUCN-DTWKUNHWSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@H]([N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000659863061 411481896 /nfs/dbraw/zinc/48/18/96/411481896.db2.gz FXSFKAHGCQAUCN-DTWKUNHWSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@H]([N@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000659863063 411481206 /nfs/dbraw/zinc/48/12/06/411481206.db2.gz FXSFKAHGCQAUCN-IUCAKERBSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@H]([N@@H+]2CCO[C@H](C(N)=O)C2)C1=O ZINC000659863063 411481202 /nfs/dbraw/zinc/48/12/02/411481202.db2.gz FXSFKAHGCQAUCN-IUCAKERBSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@@H]([N@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000659863064 411481638 /nfs/dbraw/zinc/48/16/38/411481638.db2.gz FXSFKAHGCQAUCN-RKDXNWHRSA-N 1 2 241.291 -1.207 20 0 BAADLO CCN1CC[C@@H]([N@@H+]2CCO[C@@H](C(N)=O)C2)C1=O ZINC000659863064 411481636 /nfs/dbraw/zinc/48/16/36/411481636.db2.gz FXSFKAHGCQAUCN-RKDXNWHRSA-N 1 2 241.291 -1.207 20 0 BAADLO O=C(C[NH+](CCO)CCO)Nc1cnccn1 ZINC000659879213 411176472 /nfs/dbraw/zinc/17/64/72/411176472.db2.gz SDCIIZWPXVXNTD-UHFFFAOYSA-N 1 2 240.263 -1.298 20 0 BAADLO CCN1OC[C@@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000659977746 411516610 /nfs/dbraw/zinc/51/66/10/411516610.db2.gz WGJHXIADNJPIMZ-HRDYMLBCSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@@H]([N@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000659977746 411516608 /nfs/dbraw/zinc/51/66/08/411516608.db2.gz WGJHXIADNJPIMZ-HRDYMLBCSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000659977747 411516346 /nfs/dbraw/zinc/51/63/46/411516346.db2.gz WGJHXIADNJPIMZ-YIZRAAEISA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@H+]2C[C@H](O)C[C@H](O)C2)C1=O ZINC000659977747 411516342 /nfs/dbraw/zinc/51/63/42/411516342.db2.gz WGJHXIADNJPIMZ-YIZRAAEISA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000659978306 411516616 /nfs/dbraw/zinc/51/66/16/411516616.db2.gz CKEMUTULZNUXOT-BIIVOSGPSA-N 1 2 216.237 -1.814 20 0 BAADLO CCN1OC[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000659978306 411516614 /nfs/dbraw/zinc/51/66/14/411516614.db2.gz CKEMUTULZNUXOT-BIIVOSGPSA-N 1 2 216.237 -1.814 20 0 BAADLO CCN1OC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000659978307 411516714 /nfs/dbraw/zinc/51/67/14/411516714.db2.gz CKEMUTULZNUXOT-PRJMDXOYSA-N 1 2 216.237 -1.814 20 0 BAADLO CCN1OC[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000659978307 411516713 /nfs/dbraw/zinc/51/67/13/411516713.db2.gz CKEMUTULZNUXOT-PRJMDXOYSA-N 1 2 216.237 -1.814 20 0 BAADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1cnccn1 ZINC000659979836 411516841 /nfs/dbraw/zinc/51/68/41/411516841.db2.gz PMBPJVWQTWMJOB-OCAPTIKFSA-N 1 2 238.247 -1.548 20 0 BAADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1cnccn1 ZINC000659979836 411516838 /nfs/dbraw/zinc/51/68/38/411516838.db2.gz PMBPJVWQTWMJOB-OCAPTIKFSA-N 1 2 238.247 -1.548 20 0 BAADLO O=C(CO)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660131463 411543498 /nfs/dbraw/zinc/54/34/98/411543498.db2.gz JTNGXKBDSZZIIH-UHFFFAOYSA-N 1 2 239.279 -1.516 20 0 BAADLO O=C(CO)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660131463 411543497 /nfs/dbraw/zinc/54/34/97/411543497.db2.gz JTNGXKBDSZZIIH-UHFFFAOYSA-N 1 2 239.279 -1.516 20 0 BAADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](NC(N)=O)C2)C1=O ZINC000660149760 411547307 /nfs/dbraw/zinc/54/73/07/411547307.db2.gz KNMXQKKNVAPAAO-HTQZYQBOSA-N 1 2 242.279 -1.109 20 0 BAADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](NC(N)=O)C2)C1=O ZINC000660149760 411547305 /nfs/dbraw/zinc/54/73/05/411547305.db2.gz KNMXQKKNVAPAAO-HTQZYQBOSA-N 1 2 242.279 -1.109 20 0 BAADLO CCN1OC[C@@H]([N@H+]2CC[C@H](NC(N)=O)C2)C1=O ZINC000660149765 411547515 /nfs/dbraw/zinc/54/75/15/411547515.db2.gz KNMXQKKNVAPAAO-JGVFFNPUSA-N 1 2 242.279 -1.109 20 0 BAADLO CCN1OC[C@@H]([N@@H+]2CC[C@H](NC(N)=O)C2)C1=O ZINC000660149765 411547513 /nfs/dbraw/zinc/54/75/13/411547513.db2.gz KNMXQKKNVAPAAO-JGVFFNPUSA-N 1 2 242.279 -1.109 20 0 BAADLO CCN1OC[C@H]([N@H+]2CC[C@@H](NC(N)=O)C2)C1=O ZINC000660149767 411547315 /nfs/dbraw/zinc/54/73/15/411547315.db2.gz KNMXQKKNVAPAAO-SFYZADRCSA-N 1 2 242.279 -1.109 20 0 BAADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](NC(N)=O)C2)C1=O ZINC000660149767 411547313 /nfs/dbraw/zinc/54/73/13/411547313.db2.gz KNMXQKKNVAPAAO-SFYZADRCSA-N 1 2 242.279 -1.109 20 0 BAADLO 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C[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000662428100 412166663 /nfs/dbraw/zinc/16/66/63/412166663.db2.gz HAKAWBNJFMCQFU-VIFPVBQESA-N 1 2 226.324 -1.031 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000662428581 412166528 /nfs/dbraw/zinc/16/65/28/412166528.db2.gz JTGIOIISXIFSEK-GUBZILKMSA-N 1 2 226.324 -1.175 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000662428582 412167027 /nfs/dbraw/zinc/16/70/27/412167027.db2.gz JTGIOIISXIFSEK-OPRDCNLKSA-N 1 2 226.324 -1.175 20 0 BAADLO CC(C)[C@@H](CO)NC(=O)CN1CC[NH2+]CC1=O ZINC000662835614 409946261 /nfs/dbraw/zinc/94/62/61/409946261.db2.gz QDTNVHUZCALOTP-SECBINFHSA-N 1 2 243.307 -1.449 20 0 BAADLO O=C(CN1CC[NH2+]CC1=O)NCCCCO ZINC000662854063 412324519 /nfs/dbraw/zinc/32/45/19/412324519.db2.gz XHRRCUDBWGHLIJ-UHFFFAOYSA-N 1 2 229.280 -1.693 20 0 BAADLO O=C(CN1CC[NH2+]CC1=O)NCCOCCF ZINC000663005187 412367466 /nfs/dbraw/zinc/36/74/66/412367466.db2.gz SNBMRYBIDPYMFM-UHFFFAOYSA-N 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-1.125 20 0 BAADLO Cn1ncnc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000664249033 411897845 /nfs/dbraw/zinc/89/78/45/411897845.db2.gz GEFZDXBTWXXOME-QMMMGPOBSA-N 1 2 239.279 -1.125 20 0 BAADLO Cn1ncnc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000664249033 411897843 /nfs/dbraw/zinc/89/78/43/411897843.db2.gz GEFZDXBTWXXOME-QMMMGPOBSA-N 1 2 239.279 -1.125 20 0 BAADLO CNC(=O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664329953 411922698 /nfs/dbraw/zinc/92/26/98/411922698.db2.gz MRRQJXGOSLNKJY-BDAKNGLRSA-N 1 2 243.307 -1.042 20 0 BAADLO CNC(=O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664329953 411922691 /nfs/dbraw/zinc/92/26/91/411922691.db2.gz MRRQJXGOSLNKJY-BDAKNGLRSA-N 1 2 243.307 -1.042 20 0 BAADLO CNC(=O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664329954 411923298 /nfs/dbraw/zinc/92/32/98/411923298.db2.gz MRRQJXGOSLNKJY-DTWKUNHWSA-N 1 2 243.307 -1.042 20 0 BAADLO CNC(=O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664329954 411923296 /nfs/dbraw/zinc/92/32/96/411923296.db2.gz MRRQJXGOSLNKJY-DTWKUNHWSA-N 1 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COQSUTHFHUCCDL-BDAKNGLRSA-N 1 2 243.307 -1.177 20 0 BAADLO CCN(CC)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665036822 412062457 /nfs/dbraw/zinc/06/24/57/412062457.db2.gz SZCJVXZSAZHOBS-BDAKNGLRSA-N 1 2 243.307 -1.225 20 0 BAADLO CCN(CC)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665036822 412062455 /nfs/dbraw/zinc/06/24/55/412062455.db2.gz SZCJVXZSAZHOBS-BDAKNGLRSA-N 1 2 243.307 -1.225 20 0 BAADLO CC[C@@H](C)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037357 412062671 /nfs/dbraw/zinc/06/26/71/412062671.db2.gz XWJAQEYGRWCWQZ-HLTSFMKQSA-N 1 2 243.307 -1.178 20 0 BAADLO CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037357 412062666 /nfs/dbraw/zinc/06/26/66/412062666.db2.gz XWJAQEYGRWCWQZ-HLTSFMKQSA-N 1 2 243.307 -1.178 20 0 BAADLO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037358 412063275 /nfs/dbraw/zinc/06/32/75/412063275.db2.gz XWJAQEYGRWCWQZ-YIZRAAEISA-N 1 2 243.307 -1.178 20 0 BAADLO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665037358 412063268 /nfs/dbraw/zinc/06/32/68/412063268.db2.gz XWJAQEYGRWCWQZ-YIZRAAEISA-N 1 2 243.307 -1.178 20 0 BAADLO CC(C)(C)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665040001 412064876 /nfs/dbraw/zinc/06/48/76/412064876.db2.gz WLOHABKVQZUTKM-SFYZADRCSA-N 1 2 243.307 -1.178 20 0 BAADLO CC(C)(C)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665040001 412064874 /nfs/dbraw/zinc/06/48/74/412064874.db2.gz WLOHABKVQZUTKM-SFYZADRCSA-N 1 2 243.307 -1.178 20 0 BAADLO C[NH+]1CCN(C(=O)C2(n3cnnn3)CC2)CC1 ZINC000665059532 412075264 /nfs/dbraw/zinc/07/52/64/412075264.db2.gz SEPJMKJPTLJWJY-UHFFFAOYSA-N 1 2 236.279 -1.064 20 0 BAADLO O=C(NCC[NH+]1CCOCC1)[C@H]1CC(=O)N1 ZINC000665130832 412107646 /nfs/dbraw/zinc/10/76/46/412107646.db2.gz FTOBHLACMHQJMP-MRVPVSSYSA-N 1 2 227.264 -1.677 20 0 BAADLO O=C(NCC[NH+]1CCOCC1)[C@@H]1CC(=O)N1 ZINC000665130834 412107839 /nfs/dbraw/zinc/10/78/39/412107839.db2.gz FTOBHLACMHQJMP-QMMMGPOBSA-N 1 2 227.264 -1.677 20 0 BAADLO CNC(=O)CCNc1nc[nH+]c2c1OCCN2 ZINC000665693121 487732265 /nfs/dbraw/zinc/73/22/65/487732265.db2.gz TUNVWWPJQVKCTD-UHFFFAOYSA-N 1 2 237.263 -1.059 20 0 BAADLO CNC(=O)CCNc1[nH+]cnc2c1OCCN2 ZINC000665693121 487732261 /nfs/dbraw/zinc/73/22/61/487732261.db2.gz TUNVWWPJQVKCTD-UHFFFAOYSA-N 1 2 237.263 -1.059 20 0 BAADLO O=C([C@@H](O)C1CC1)N1CC[NH+](CCO)CC1 ZINC000666190170 487752954 /nfs/dbraw/zinc/75/29/54/487752954.db2.gz GNGIWJINYSZBFT-JTQLQIEISA-N 1 2 228.292 -1.106 20 0 BAADLO O=C([C@H](O)C1CC1)N1CC[NH+](CCO)CC1 ZINC000666190171 487753327 /nfs/dbraw/zinc/75/33/27/487753327.db2.gz GNGIWJINYSZBFT-SNVBAGLBSA-N 1 2 228.292 -1.106 20 0 BAADLO COC[C@H](OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000666190352 487875441 /nfs/dbraw/zinc/87/54/41/487875441.db2.gz KEYGNRTVLQMQLU-JTQLQIEISA-N 1 2 246.307 -1.216 20 0 BAADLO COC[C@@H](OC)C(=O)N1CC[NH+](CCO)CC1 ZINC000666190353 487875862 /nfs/dbraw/zinc/87/58/62/487875862.db2.gz KEYGNRTVLQMQLU-SNVBAGLBSA-N 1 2 246.307 -1.216 20 0 BAADLO O=C([C@H]1CC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000666190745 487753471 /nfs/dbraw/zinc/75/34/71/487753471.db2.gz XTYKYVCXJGHSPQ-MRVPVSSYSA-N 1 2 227.264 -1.989 20 0 BAADLO O=C([C@@H]1CC(=O)N1)N1CC[NH+](CCO)CC1 ZINC000666190746 487752925 /nfs/dbraw/zinc/75/29/25/487752925.db2.gz XTYKYVCXJGHSPQ-QMMMGPOBSA-N 1 2 227.264 -1.989 20 0 BAADLO O=C(NCCn1cc[nH+]c1)[C@H]1CC(=O)N1 ZINC000666351432 487790908 /nfs/dbraw/zinc/79/09/08/487790908.db2.gz FQVCQGOGZWGLIW-SSDOTTSWSA-N 1 2 208.221 -1.112 20 0 BAADLO O=C(NCCn1cc[nH+]c1)[C@@H]1CC(=O)N1 ZINC000666351437 487791339 /nfs/dbraw/zinc/79/13/39/487791339.db2.gz FQVCQGOGZWGLIW-ZETCQYMHSA-N 1 2 208.221 -1.112 20 0 BAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N1 ZINC000666430459 487807656 /nfs/dbraw/zinc/80/76/56/487807656.db2.gz UZJNRTGZFQEWLF-BDAKNGLRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC(=O)N1 ZINC000666430460 487807724 /nfs/dbraw/zinc/80/77/24/487807724.db2.gz UZJNRTGZFQEWLF-DTWKUNHWSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N1 ZINC000666430461 488005480 /nfs/dbraw/zinc/00/54/80/488005480.db2.gz UZJNRTGZFQEWLF-IUCAKERBSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC(=O)N1 ZINC000666430463 488005494 /nfs/dbraw/zinc/00/54/94/488005494.db2.gz UZJNRTGZFQEWLF-RKDXNWHRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)N2)CCO1 ZINC000667816028 488126654 /nfs/dbraw/zinc/12/66/54/488126654.db2.gz JIPVXHJKSZPIEP-BDAKNGLRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)N2)CCO1 ZINC000667816028 488126649 /nfs/dbraw/zinc/12/66/49/488126649.db2.gz JIPVXHJKSZPIEP-BDAKNGLRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC(=O)N2)CCO1 ZINC000667816073 488124702 /nfs/dbraw/zinc/12/47/02/488124702.db2.gz JIPVXHJKSZPIEP-DTWKUNHWSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC(=O)N2)CCO1 ZINC000667816073 488124694 /nfs/dbraw/zinc/12/46/94/488124694.db2.gz JIPVXHJKSZPIEP-DTWKUNHWSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)N2)CCO1 ZINC000667816074 488124141 /nfs/dbraw/zinc/12/41/41/488124141.db2.gz JIPVXHJKSZPIEP-IUCAKERBSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)N2)CCO1 ZINC000667816074 488124138 /nfs/dbraw/zinc/12/41/38/488124138.db2.gz JIPVXHJKSZPIEP-IUCAKERBSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC(=O)N2)CCO1 ZINC000667816075 488124861 /nfs/dbraw/zinc/12/48/61/488124861.db2.gz JIPVXHJKSZPIEP-RKDXNWHRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC(=O)N2)CCO1 ZINC000667816075 488124858 /nfs/dbraw/zinc/12/48/58/488124858.db2.gz JIPVXHJKSZPIEP-RKDXNWHRSA-N 1 2 241.291 -1.288 20 0 BAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N1 ZINC000668000266 488180834 /nfs/dbraw/zinc/18/08/34/488180834.db2.gz CMIQIICOIYRNGT-SECBINFHSA-N 1 2 241.291 -1.335 20 0 BAADLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N1 ZINC000668000267 488180965 /nfs/dbraw/zinc/18/09/65/488180965.db2.gz CMIQIICOIYRNGT-VIFPVBQESA-N 1 2 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VFMWOLORKLNVIQ-IUCAKERBSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1 ZINC000668255210 487561679 /nfs/dbraw/zinc/56/16/79/487561679.db2.gz VFMWOLORKLNVIQ-RKDXNWHRSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1 ZINC000668255210 487561673 /nfs/dbraw/zinc/56/16/73/487561673.db2.gz VFMWOLORKLNVIQ-RKDXNWHRSA-N 1 2 241.291 -1.288 20 0 BAADLO O=C(C[N@@H+]1CC[C@@](F)(CO)C1)N1CCNC1=O ZINC000670113512 488125357 /nfs/dbraw/zinc/12/53/57/488125357.db2.gz SIKJCIFJDAIESD-JTQLQIEISA-N 1 2 245.254 -1.056 20 0 BAADLO O=C(C[N@H+]1CC[C@@](F)(CO)C1)N1CCNC1=O ZINC000670113512 488125353 /nfs/dbraw/zinc/12/53/53/488125353.db2.gz SIKJCIFJDAIESD-JTQLQIEISA-N 1 2 245.254 -1.056 20 0 BAADLO O=C(C[N@@H+]1CC[C@](F)(CO)C1)N1CCNC1=O ZINC000670113513 488125510 /nfs/dbraw/zinc/12/55/10/488125510.db2.gz SIKJCIFJDAIESD-SNVBAGLBSA-N 1 2 245.254 -1.056 20 0 BAADLO O=C(C[N@H+]1CC[C@](F)(CO)C1)N1CCNC1=O ZINC000670113513 488125505 /nfs/dbraw/zinc/12/55/05/488125505.db2.gz SIKJCIFJDAIESD-SNVBAGLBSA-N 1 2 245.254 -1.056 20 0 BAADLO CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000671149327 487972531 /nfs/dbraw/zinc/97/25/31/487972531.db2.gz ZDJWCZUXYHCLGM-SECBINFHSA-N 1 2 241.291 -1.335 20 0 BAADLO CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000671149332 487972596 /nfs/dbraw/zinc/97/25/96/487972596.db2.gz ZDJWCZUXYHCLGM-VIFPVBQESA-N 1 2 241.291 -1.335 20 0 BAADLO CNS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671680087 487686454 /nfs/dbraw/zinc/68/64/54/487686454.db2.gz XXKDBEWQDKXGRA-HTQZYQBOSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671680087 487686451 /nfs/dbraw/zinc/68/64/51/487686451.db2.gz XXKDBEWQDKXGRA-HTQZYQBOSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671680088 487686660 /nfs/dbraw/zinc/68/66/60/487686660.db2.gz XXKDBEWQDKXGRA-JGVFFNPUSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671680088 487686658 /nfs/dbraw/zinc/68/66/58/487686658.db2.gz XXKDBEWQDKXGRA-JGVFFNPUSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671680089 487686546 /nfs/dbraw/zinc/68/65/46/487686546.db2.gz XXKDBEWQDKXGRA-SFYZADRCSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671680089 487686542 /nfs/dbraw/zinc/68/65/42/487686542.db2.gz XXKDBEWQDKXGRA-SFYZADRCSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671680090 487686512 /nfs/dbraw/zinc/68/65/12/487686512.db2.gz XXKDBEWQDKXGRA-YUMQZZPRSA-N 1 2 237.325 -1.241 20 0 BAADLO CNS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671680090 487686511 /nfs/dbraw/zinc/68/65/11/487686511.db2.gz XXKDBEWQDKXGRA-YUMQZZPRSA-N 1 2 237.325 -1.241 20 0 BAADLO CC[N@H+]1CCO[C@@H](C(=O)NCc2nn[nH]n2)C1 ZINC000673667781 488302380 /nfs/dbraw/zinc/30/23/80/488302380.db2.gz HYRHVQIVMLSVDC-SSDOTTSWSA-N 1 2 240.267 -1.463 20 0 BAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCc2nn[nH]n2)C1 ZINC000673667781 488302374 /nfs/dbraw/zinc/30/23/74/488302374.db2.gz HYRHVQIVMLSVDC-SSDOTTSWSA-N 1 2 240.267 -1.463 20 0 BAADLO CC[N@H+]1CCO[C@H](C(=O)NCc2nn[nH]n2)C1 ZINC000673667782 488302267 /nfs/dbraw/zinc/30/22/67/488302267.db2.gz HYRHVQIVMLSVDC-ZETCQYMHSA-N 1 2 240.267 -1.463 20 0 BAADLO CC[N@@H+]1CCO[C@H](C(=O)NCc2nn[nH]n2)C1 ZINC000673667782 488302263 /nfs/dbraw/zinc/30/22/63/488302263.db2.gz HYRHVQIVMLSVDC-ZETCQYMHSA-N 1 2 240.267 -1.463 20 0 BAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(N)=O)CCN2C1=O ZINC000674470296 487585924 /nfs/dbraw/zinc/58/59/24/487585924.db2.gz SJOIFCNTCMQSEL-SSDOTTSWSA-N 1 2 240.263 -1.560 20 0 BAADLO CCN1C(=O)[C@H]2C[N@H+](CC(N)=O)CCN2C1=O ZINC000674470296 487585921 /nfs/dbraw/zinc/58/59/21/487585921.db2.gz SJOIFCNTCMQSEL-SSDOTTSWSA-N 1 2 240.263 -1.560 20 0 BAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(N)=O)CCN2C1=O ZINC000674470302 487586058 /nfs/dbraw/zinc/58/60/58/487586058.db2.gz SJOIFCNTCMQSEL-ZETCQYMHSA-N 1 2 240.263 -1.560 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AAAOVUHDGWYCTO-NKWVEPMBSA-N 1 2 223.298 -1.501 20 0 BAADLO C[C@@H](NS(N)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000676236491 487565113 /nfs/dbraw/zinc/56/51/13/487565113.db2.gz AAAOVUHDGWYCTO-RNFRBKRXSA-N 1 2 223.298 -1.501 20 0 BAADLO C[C@@H](NS(N)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000676236491 487565106 /nfs/dbraw/zinc/56/51/06/487565106.db2.gz AAAOVUHDGWYCTO-RNFRBKRXSA-N 1 2 223.298 -1.501 20 0 BAADLO C[C@@H](NS(N)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676236494 487565363 /nfs/dbraw/zinc/56/53/63/487565363.db2.gz AAAOVUHDGWYCTO-RQJHMYQMSA-N 1 2 223.298 -1.501 20 0 BAADLO C[C@@H](NS(N)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000676236494 487565358 /nfs/dbraw/zinc/56/53/58/487565358.db2.gz AAAOVUHDGWYCTO-RQJHMYQMSA-N 1 2 223.298 -1.501 20 0 BAADLO C[N@H+]1CCO[C@@H](C(=O)NC2(C(N)=O)CCC2)C1 ZINC000676671714 487889977 /nfs/dbraw/zinc/88/99/77/487889977.db2.gz ZKFMJGHFOGHCEO-MRVPVSSYSA-N 1 2 241.291 -1.159 20 0 BAADLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C(N)=O)CCC2)C1 ZINC000676671714 487889973 /nfs/dbraw/zinc/88/99/73/487889973.db2.gz ZKFMJGHFOGHCEO-MRVPVSSYSA-N 1 2 241.291 -1.159 20 0 BAADLO C[N@H+]1CCO[C@H](C(=O)NC2(C(N)=O)CCC2)C1 ZINC000676671715 487890511 /nfs/dbraw/zinc/89/05/11/487890511.db2.gz ZKFMJGHFOGHCEO-QMMMGPOBSA-N 1 2 241.291 -1.159 20 0 BAADLO C[N@@H+]1CCO[C@H](C(=O)NC2(C(N)=O)CCC2)C1 ZINC000676671715 487890506 /nfs/dbraw/zinc/89/05/06/487890506.db2.gz ZKFMJGHFOGHCEO-QMMMGPOBSA-N 1 2 241.291 -1.159 20 0 BAADLO O=C1NC[C@@H]2C[N@@H+](Cc3cn[nH]c3)CCN2C1=O ZINC000678335291 488241830 /nfs/dbraw/zinc/24/18/30/488241830.db2.gz UDKFXCAUMFGRPP-SECBINFHSA-N 1 2 249.274 -1.448 20 0 BAADLO O=C1NC[C@@H]2C[N@H+](Cc3cn[nH]c3)CCN2C1=O ZINC000678335291 488241827 /nfs/dbraw/zinc/24/18/27/488241827.db2.gz UDKFXCAUMFGRPP-SECBINFHSA-N 1 2 249.274 -1.448 20 0 BAADLO O=C1NC[C@H]2C[N@@H+](Cc3cn[nH]c3)CCN2C1=O ZINC000678335292 488241821 /nfs/dbraw/zinc/24/18/21/488241821.db2.gz UDKFXCAUMFGRPP-VIFPVBQESA-N 1 2 249.274 -1.448 20 0 BAADLO O=C1NC[C@H]2C[N@H+](Cc3cn[nH]c3)CCN2C1=O ZINC000678335292 488241817 /nfs/dbraw/zinc/24/18/17/488241817.db2.gz UDKFXCAUMFGRPP-VIFPVBQESA-N 1 2 249.274 -1.448 20 0 BAADLO C[C@H](C(=O)NC(CO)CO)[NH+]1CCSCC1 ZINC000680451544 487595142 /nfs/dbraw/zinc/59/51/42/487595142.db2.gz KNBIPDGUFRFOEA-MRVPVSSYSA-N 1 2 248.348 -1.107 20 0 BAADLO C[C@@H](C(=O)NC(CO)CO)[NH+]1CCSCC1 ZINC000680451545 487594348 /nfs/dbraw/zinc/59/43/48/487594348.db2.gz KNBIPDGUFRFOEA-QMMMGPOBSA-N 1 2 248.348 -1.107 20 0 BAADLO COC[C@@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000681078959 487813409 /nfs/dbraw/zinc/81/34/09/487813409.db2.gz MNVOPDQYEBDZLD-GXSJLCMTSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000681078959 487813404 /nfs/dbraw/zinc/81/34/04/487813404.db2.gz MNVOPDQYEBDZLD-GXSJLCMTSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000681078960 487813446 /nfs/dbraw/zinc/81/34/46/487813446.db2.gz MNVOPDQYEBDZLD-KOLCDFICSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000681078960 487813444 /nfs/dbraw/zinc/81/34/44/487813444.db2.gz MNVOPDQYEBDZLD-KOLCDFICSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@@](C)(CO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000681078961 487813430 /nfs/dbraw/zinc/81/34/30/487813430.db2.gz MNVOPDQYEBDZLD-MWLCHTKSSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@@](C)(CO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000681078961 487813428 /nfs/dbraw/zinc/81/34/28/487813428.db2.gz MNVOPDQYEBDZLD-MWLCHTKSSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@](C)(CO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000681078962 487813491 /nfs/dbraw/zinc/81/34/91/487813491.db2.gz MNVOPDQYEBDZLD-ONGXEEELSA-N 1 2 246.307 -1.169 20 0 BAADLO COC[C@](C)(CO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000681078962 487813488 /nfs/dbraw/zinc/81/34/88/487813488.db2.gz MNVOPDQYEBDZLD-ONGXEEELSA-N 1 2 246.307 -1.169 20 0 BAADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000681372060 487782985 /nfs/dbraw/zinc/78/29/85/487782985.db2.gz WNIHZVMYUYWTOE-IVZWLZJFSA-N 1 2 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BAADLO Cn1ncc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC000703800303 712088702 /nfs/dbraw/zinc/08/87/02/712088702.db2.gz NNWMFHXBICPMLS-MRVPVSSYSA-N 1 2 239.279 -1.436 20 0 BAADLO Cn1ncc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC000703800303 712088699 /nfs/dbraw/zinc/08/86/99/712088699.db2.gz NNWMFHXBICPMLS-MRVPVSSYSA-N 1 2 239.279 -1.436 20 0 BAADLO Cn1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC000703800310 712088778 /nfs/dbraw/zinc/08/87/78/712088778.db2.gz NNWMFHXBICPMLS-QMMMGPOBSA-N 1 2 239.279 -1.436 20 0 BAADLO Cn1ncc(C(=O)N2CC[N@H+](C)C[C@H]2CO)n1 ZINC000703800310 712088777 /nfs/dbraw/zinc/08/87/77/712088777.db2.gz NNWMFHXBICPMLS-QMMMGPOBSA-N 1 2 239.279 -1.436 20 0 BAADLO C[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000703916574 712093775 /nfs/dbraw/zinc/09/37/75/712093775.db2.gz IJHAWRFKGRYKFJ-HTQZYQBOSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000703916574 712093774 /nfs/dbraw/zinc/09/37/74/712093774.db2.gz IJHAWRFKGRYKFJ-HTQZYQBOSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000703916575 712094211 /nfs/dbraw/zinc/09/42/11/712094211.db2.gz IJHAWRFKGRYKFJ-JGVFFNPUSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000703916575 712094209 /nfs/dbraw/zinc/09/42/09/712094209.db2.gz IJHAWRFKGRYKFJ-JGVFFNPUSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000703916576 712094276 /nfs/dbraw/zinc/09/42/76/712094276.db2.gz IJHAWRFKGRYKFJ-SFYZADRCSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000703916576 712094274 /nfs/dbraw/zinc/09/42/74/712094274.db2.gz IJHAWRFKGRYKFJ-SFYZADRCSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000703916577 712094029 /nfs/dbraw/zinc/09/40/29/712094029.db2.gz IJHAWRFKGRYKFJ-YUMQZZPRSA-N 1 2 244.295 -1.822 20 0 BAADLO C[C@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000703916577 712094027 /nfs/dbraw/zinc/09/40/27/712094027.db2.gz 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227.268 -1.245 20 0 BAADLO C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H](CO)O1 ZINC000712586357 712434623 /nfs/dbraw/zinc/43/46/23/712434623.db2.gz LKAYCKZIZPRWRR-RKDXNWHRSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@@H]1C[N@H+](CCn2cnnn2)C[C@H](CO)O1 ZINC000712586357 712434622 /nfs/dbraw/zinc/43/46/22/712434622.db2.gz LKAYCKZIZPRWRR-RKDXNWHRSA-N 1 2 227.268 -1.245 20 0 BAADLO OC[C@@H]1COCC[N@H+]1CCn1cnnn1 ZINC000712587451 712434921 /nfs/dbraw/zinc/43/49/21/712434921.db2.gz SRVOORBVEDARAS-MRVPVSSYSA-N 1 2 213.241 -1.634 20 0 BAADLO OC[C@@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000712587451 712434920 /nfs/dbraw/zinc/43/49/20/712434920.db2.gz SRVOORBVEDARAS-MRVPVSSYSA-N 1 2 213.241 -1.634 20 0 BAADLO COC(=O)C1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000714415342 712485530 /nfs/dbraw/zinc/48/55/30/712485530.db2.gz XFKZWKOMFLEHMA-UHFFFAOYSA-N 1 2 239.231 -1.371 20 0 BAADLO CNC(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000721652384 711691927 /nfs/dbraw/zinc/69/19/27/711691927.db2.gz IHSFCWFZWNPAFT-MRVPVSSYSA-N 1 2 217.269 -1.703 20 0 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C[C@H]1C[N@@H+](CCNC(=O)NCCO)CCO1 ZINC000726259709 583343853 /nfs/dbraw/zinc/34/38/53/583343853.db2.gz JBZQYMSWGBXEDJ-VIFPVBQESA-N 1 2 231.296 -1.001 20 0 BAADLO C[C@H]1C[N@H+](CCNC(=O)NCCO)CCO1 ZINC000726259709 583343852 /nfs/dbraw/zinc/34/38/52/583343852.db2.gz JBZQYMSWGBXEDJ-VIFPVBQESA-N 1 2 231.296 -1.001 20 0 BAADLO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCNC(=O)C1 ZINC000726790935 583374560 /nfs/dbraw/zinc/37/45/60/583374560.db2.gz GDNKXDJATOBHKU-LURJTMIESA-N 1 2 228.252 -1.608 20 0 BAADLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCNC(=O)C1 ZINC000726790935 583374559 /nfs/dbraw/zinc/37/45/59/583374559.db2.gz GDNKXDJATOBHKU-LURJTMIESA-N 1 2 228.252 -1.608 20 0 BAADLO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCNC(=O)C1 ZINC000726790943 583374439 /nfs/dbraw/zinc/37/44/39/583374439.db2.gz GDNKXDJATOBHKU-ZCFIWIBFSA-N 1 2 228.252 -1.608 20 0 BAADLO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCNC(=O)C1 ZINC000726790943 583374438 /nfs/dbraw/zinc/37/44/38/583374438.db2.gz GDNKXDJATOBHKU-ZCFIWIBFSA-N 1 2 228.252 -1.608 20 0 BAADLO O=C(C[N@H+]1CCCNC(=O)C1)N1CCNC1=O ZINC000726791288 583374214 /nfs/dbraw/zinc/37/42/14/583374214.db2.gz LROPJCPOAVTMRE-UHFFFAOYSA-N 1 2 240.263 -1.640 20 0 BAADLO O=C(C[N@@H+]1CCCNC(=O)C1)N1CCNC1=O ZINC000726791288 583374212 /nfs/dbraw/zinc/37/42/12/583374212.db2.gz LROPJCPOAVTMRE-UHFFFAOYSA-N 1 2 240.263 -1.640 20 0 BAADLO O=C(C[N@H+]1CCCNC(=O)C1)N1CCOCC1 ZINC000726792148 583374898 /nfs/dbraw/zinc/37/48/98/583374898.db2.gz ZSVPGRZKPQLVML-UHFFFAOYSA-N 1 2 241.291 -1.333 20 0 BAADLO O=C(C[N@@H+]1CCCNC(=O)C1)N1CCOCC1 ZINC000726792148 583374896 /nfs/dbraw/zinc/37/48/96/583374896.db2.gz ZSVPGRZKPQLVML-UHFFFAOYSA-N 1 2 241.291 -1.333 20 0 BAADLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726792399 583374872 /nfs/dbraw/zinc/37/48/72/583374872.db2.gz ZJNWEUHPXGJBHV-SSDOTTSWSA-N 1 2 242.279 -1.348 20 0 BAADLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726792399 583374871 /nfs/dbraw/zinc/37/48/71/583374871.db2.gz ZJNWEUHPXGJBHV-SSDOTTSWSA-N 1 2 242.279 -1.348 20 0 BAADLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC000726792401 583374798 /nfs/dbraw/zinc/37/47/98/583374798.db2.gz ZJNWEUHPXGJBHV-ZETCQYMHSA-N 1 2 242.279 -1.348 20 0 BAADLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCNC(=O)C1 ZINC000726792401 583374796 /nfs/dbraw/zinc/37/47/96/583374796.db2.gz ZJNWEUHPXGJBHV-ZETCQYMHSA-N 1 2 242.279 -1.348 20 0 BAADLO O=C1CCC(=O)N1CC[N@H+]1CCCNC(=O)C1 ZINC000726792775 583375316 /nfs/dbraw/zinc/37/53/16/583375316.db2.gz UMOVUXMKNWUJEP-UHFFFAOYSA-N 1 2 239.275 -1.043 20 0 BAADLO O=C1CCC(=O)N1CC[N@@H+]1CCCNC(=O)C1 ZINC000726792775 583375315 /nfs/dbraw/zinc/37/53/15/583375315.db2.gz UMOVUXMKNWUJEP-UHFFFAOYSA-N 1 2 239.275 -1.043 20 0 BAADLO CN1C(=O)C[C@@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000726796299 583375924 /nfs/dbraw/zinc/37/59/24/583375924.db2.gz SLFQCWCZVOOTDD-SSDOTTSWSA-N 1 2 225.248 -1.434 20 0 BAADLO CN1C(=O)C[C@@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000726796299 583375922 /nfs/dbraw/zinc/37/59/22/583375922.db2.gz SLFQCWCZVOOTDD-SSDOTTSWSA-N 1 2 225.248 -1.434 20 0 BAADLO 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586468334 /nfs/dbraw/zinc/46/83/34/586468334.db2.gz WGNIEIMZTDOHAO-MRVPVSSYSA-N 1 2 239.279 -1.263 20 0 BAADLO Cn1cnn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1=O ZINC000808230117 586468029 /nfs/dbraw/zinc/46/80/29/586468029.db2.gz WGNIEIMZTDOHAO-QMMMGPOBSA-N 1 2 239.279 -1.263 20 0 BAADLO Cn1cnn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1=O ZINC000808230117 586468027 /nfs/dbraw/zinc/46/80/27/586468027.db2.gz WGNIEIMZTDOHAO-QMMMGPOBSA-N 1 2 239.279 -1.263 20 0 BAADLO CN(C)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000809996318 586529842 /nfs/dbraw/zinc/52/98/42/586529842.db2.gz XOXRNJZZIDRZJT-UHFFFAOYSA-N 1 2 244.295 -1.095 20 0 BAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCN1CCOC1=O ZINC000815136244 586669994 /nfs/dbraw/zinc/66/99/94/586669994.db2.gz SGLCJXFVINJBIE-QMMMGPOBSA-N 1 2 245.279 -1.129 20 0 BAADLO COC[C@@H](C(N)=O)[N@H+](C)CCN1CCOC1=O ZINC000815136244 586669992 /nfs/dbraw/zinc/66/99/92/586669992.db2.gz SGLCJXFVINJBIE-QMMMGPOBSA-N 1 2 245.279 -1.129 20 0 BAADLO CON(C)C(=O)CC[NH2+]Cc1nnn(C)n1 ZINC000819270624 586946194 /nfs/dbraw/zinc/94/61/94/586946194.db2.gz DVDNDCYKTQQYCS-UHFFFAOYSA-N 1 2 228.256 -1.290 20 0 BAADLO CCn1ncn(NC(=O)C[NH+](C)C)c1=O ZINC000820388751 587045430 /nfs/dbraw/zinc/04/54/30/587045430.db2.gz VQRNJBRZQKTYMU-UHFFFAOYSA-N 1 2 213.241 -1.304 20 0 BAADLO Cn1c[nH+]c(/C=C/C(=O)N2CC(O)(CO)C2)c1 ZINC000820855173 587077533 /nfs/dbraw/zinc/07/75/33/587077533.db2.gz FPMGTRFWZRUSKH-NSCUHMNNSA-N 1 2 237.259 -1.001 20 0 BAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1C[C@@H](O)C1 ZINC000821135146 587097681 /nfs/dbraw/zinc/09/76/81/587097681.db2.gz OUFJAWSTWLEGCO-GARJFASQSA-N 1 2 239.319 -1.127 20 0 BAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1C[C@@H](O)C1 ZINC000821135150 587097767 /nfs/dbraw/zinc/09/77/67/587097767.db2.gz OUFJAWSTWLEGCO-MXWKQRLJSA-N 1 2 239.319 -1.127 20 0 BAADLO O=C([O-])CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000821529808 587126361 /nfs/dbraw/zinc/12/63/61/587126361.db2.gz MFEKVHDORKWHTR-HTQZYQBOSA-N 1 2 227.264 -1.662 20 0 BAADLO O=C([O-])CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000821529809 587126212 /nfs/dbraw/zinc/12/62/12/587126212.db2.gz MFEKVHDORKWHTR-OCAPTIKFSA-N 1 2 227.264 -1.662 20 0 BAADLO O=C([O-])CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000821529809 587126210 /nfs/dbraw/zinc/12/62/10/587126210.db2.gz MFEKVHDORKWHTR-OCAPTIKFSA-N 1 2 227.264 -1.662 20 0 BAADLO O=C([O-])CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000821529810 587126391 /nfs/dbraw/zinc/12/63/91/587126391.db2.gz MFEKVHDORKWHTR-YUMQZZPRSA-N 1 2 227.264 -1.662 20 0 BAADLO C[C@H](C(=O)NN1CCS(=O)(=O)CC1)[NH+](C)C ZINC000824897604 587292805 /nfs/dbraw/zinc/29/28/05/587292805.db2.gz BGOUWNMDMUVVKG-MRVPVSSYSA-N 1 2 249.336 -1.302 20 0 BAADLO C[S@](=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000828099318 587419436 /nfs/dbraw/zinc/41/94/36/587419436.db2.gz RONJZAYEYSUYNC-HNNXBMFYSA-N 1 2 234.321 -1.499 20 0 BAADLO C[S@@](=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000828099331 587419286 /nfs/dbraw/zinc/41/92/86/587419286.db2.gz RONJZAYEYSUYNC-OAHLLOKOSA-N 1 2 234.321 -1.499 20 0 BAADLO CC1(C(N)=O)C[NH+](CCS(C)(=O)=O)C1 ZINC000829038320 587480301 /nfs/dbraw/zinc/48/03/01/587480301.db2.gz DJZUTEVKYPDMHE-UHFFFAOYSA-N 1 2 220.294 -1.162 20 0 BAADLO CON(C)C(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000829070271 587481727 /nfs/dbraw/zinc/48/17/27/587481727.db2.gz PXJPRAWXYUQIKU-UHFFFAOYSA-N 1 2 215.253 -1.187 20 0 BAADLO COC(=O)C1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829978543 587530980 /nfs/dbraw/zinc/53/09/80/587530980.db2.gz ZOMOCTZSKHTEIJ-UHFFFAOYSA-N 1 2 239.231 -1.302 20 0 BAADLO CONC(=O)CNC(=O)[C@H](C)[NH+](C)C ZINC000832744048 587681840 /nfs/dbraw/zinc/68/18/40/587681840.db2.gz CHYOOAQMFMQNMM-LURJTMIESA-N 1 2 203.242 -1.270 20 0 BAADLO CONC(=O)CNC(=O)[C@@H](C)[NH+](C)C ZINC000832744051 587682544 /nfs/dbraw/zinc/68/25/44/587682544.db2.gz CHYOOAQMFMQNMM-ZCFIWIBFSA-N 1 2 203.242 -1.270 20 0 BAADLO CONC(=O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000832746302 587682775 /nfs/dbraw/zinc/68/27/75/587682775.db2.gz YKEZTACGYXCCOC-SSDOTTSWSA-N 1 2 215.253 -1.126 20 0 BAADLO CONC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000832746302 587682773 /nfs/dbraw/zinc/68/27/73/587682773.db2.gz YKEZTACGYXCCOC-SSDOTTSWSA-N 1 2 215.253 -1.126 20 0 BAADLO CONC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000832746303 587682357 /nfs/dbraw/zinc/68/23/57/587682357.db2.gz YKEZTACGYXCCOC-ZETCQYMHSA-N 1 2 215.253 -1.126 20 0 BAADLO CONC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000832746303 587682356 /nfs/dbraw/zinc/68/23/56/587682356.db2.gz YKEZTACGYXCCOC-ZETCQYMHSA-N 1 2 215.253 -1.126 20 0 BAADLO CONC(=O)CNC(=O)C1([NH+](C)C)CC1 ZINC000832748827 587683459 /nfs/dbraw/zinc/68/34/59/587683459.db2.gz JEQGJGLKYGZKPE-UHFFFAOYSA-N 1 2 215.253 -1.126 20 0 BAADLO CONC(=O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000832752730 587683601 /nfs/dbraw/zinc/68/36/01/587683601.db2.gz BVYCVZVLCXUHSD-SSDOTTSWSA-N 1 2 215.253 -1.268 20 0 BAADLO CONC(=O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000832752730 587683600 /nfs/dbraw/zinc/68/36/00/587683600.db2.gz BVYCVZVLCXUHSD-SSDOTTSWSA-N 1 2 215.253 -1.268 20 0 BAADLO CONC(=O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000832752732 587683657 /nfs/dbraw/zinc/68/36/57/587683657.db2.gz BVYCVZVLCXUHSD-ZETCQYMHSA-N 1 2 215.253 -1.268 20 0 BAADLO CONC(=O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000832752732 587683656 /nfs/dbraw/zinc/68/36/56/587683656.db2.gz BVYCVZVLCXUHSD-ZETCQYMHSA-N 1 2 215.253 -1.268 20 0 BAADLO CONC(=O)CNC(=O)C[NH+]1CCCC1 ZINC000832758188 587685103 /nfs/dbraw/zinc/68/51/03/587685103.db2.gz VBWQYLSBFCNAKX-UHFFFAOYSA-N 1 2 215.253 -1.124 20 0 BAADLO CC[N@H+]1CCO[C@@H](C(=O)NCC(=O)NOC)C1 ZINC000832767167 587687173 /nfs/dbraw/zinc/68/71/73/587687173.db2.gz XCEWCCMNYMDBAG-MRVPVSSYSA-N 1 2 245.279 -1.499 20 0 BAADLO CC[N@@H+]1CCO[C@@H](C(=O)NCC(=O)NOC)C1 ZINC000832767167 587687171 /nfs/dbraw/zinc/68/71/71/587687171.db2.gz XCEWCCMNYMDBAG-MRVPVSSYSA-N 1 2 245.279 -1.499 20 0 BAADLO CC[N@H+]1CCO[C@H](C(=O)NCC(=O)NOC)C1 ZINC000832767168 587687075 /nfs/dbraw/zinc/68/70/75/587687075.db2.gz XCEWCCMNYMDBAG-QMMMGPOBSA-N 1 2 245.279 -1.499 20 0 BAADLO CC[N@@H+]1CCO[C@H](C(=O)NCC(=O)NOC)C1 ZINC000832767168 587687073 /nfs/dbraw/zinc/68/70/73/587687073.db2.gz XCEWCCMNYMDBAG-QMMMGPOBSA-N 1 2 245.279 -1.499 20 0 BAADLO CONC(=O)CNC(=O)CC[NH+]1CCOCC1 ZINC000832769364 587687526 /nfs/dbraw/zinc/68/75/26/587687526.db2.gz FGFFFEMDCRKIML-UHFFFAOYSA-N 1 2 245.279 -1.498 20 0 BAADLO CC(=O)NCC[N@H+](C)CN1CC(=O)N(C)C1=O ZINC000842634608 588047491 /nfs/dbraw/zinc/04/74/91/588047491.db2.gz FFIJRRQKELKNOX-UHFFFAOYSA-N 1 2 242.279 -1.094 20 0 BAADLO CC(=O)NCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000842634608 588047489 /nfs/dbraw/zinc/04/74/89/588047489.db2.gz FFIJRRQKELKNOX-UHFFFAOYSA-N 1 2 242.279 -1.094 20 0 BAADLO CN(C(=O)CN1CC[NH2+]CC1=O)c1cn[nH]c1 ZINC000844191464 588172804 /nfs/dbraw/zinc/17/28/04/588172804.db2.gz WIOGUICUQMMWJC-UHFFFAOYSA-N 1 2 237.263 -1.196 20 0 BAADLO CCONC(=O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000846495399 588268223 /nfs/dbraw/zinc/26/82/23/588268223.db2.gz RBXQXQYRZHKGCS-MRVPVSSYSA-N 1 2 245.279 -1.499 20 0 BAADLO CCONC(=O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000846495399 588268222 /nfs/dbraw/zinc/26/82/22/588268222.db2.gz RBXQXQYRZHKGCS-MRVPVSSYSA-N 1 2 245.279 -1.499 20 0 BAADLO CCONC(=O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000846495400 588268456 /nfs/dbraw/zinc/26/84/56/588268456.db2.gz RBXQXQYRZHKGCS-QMMMGPOBSA-N 1 2 245.279 -1.499 20 0 BAADLO CCONC(=O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000846495400 588268455 /nfs/dbraw/zinc/26/84/55/588268455.db2.gz RBXQXQYRZHKGCS-QMMMGPOBSA-N 1 2 245.279 -1.499 20 0 BAADLO CCONC(=O)CNC(=O)C[NH+](C)C ZINC000846496573 588268784 /nfs/dbraw/zinc/26/87/84/588268784.db2.gz OPLDQKFJOQBKJV-UHFFFAOYSA-N 1 2 203.242 -1.268 20 0 BAADLO O=C1C[C@H]([N@H+]2CCCNC(=O)C2)C(=O)N1 ZINC000846705205 588283791 /nfs/dbraw/zinc/28/37/91/588283791.db2.gz ZCGYJRCQBZDQCM-LURJTMIESA-N 1 2 211.221 -1.777 20 0 BAADLO O=C1C[C@H]([N@@H+]2CCCNC(=O)C2)C(=O)N1 ZINC000846705205 588283790 /nfs/dbraw/zinc/28/37/90/588283790.db2.gz ZCGYJRCQBZDQCM-LURJTMIESA-N 1 2 211.221 -1.777 20 0 BAADLO O=C1C[C@@H]([N@H+]2CCCNC(=O)C2)C(=O)N1 ZINC000846705359 588283723 /nfs/dbraw/zinc/28/37/23/588283723.db2.gz ZCGYJRCQBZDQCM-ZCFIWIBFSA-N 1 2 211.221 -1.777 20 0 BAADLO O=C1C[C@@H]([N@@H+]2CCCNC(=O)C2)C(=O)N1 ZINC000846705359 588283722 /nfs/dbraw/zinc/28/37/22/588283722.db2.gz ZCGYJRCQBZDQCM-ZCFIWIBFSA-N 1 2 211.221 -1.777 20 0 BAADLO CON1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000846975537 588299557 /nfs/dbraw/zinc/29/95/57/588299557.db2.gz ICEQLZIUSZCMQD-UHFFFAOYSA-N 1 2 242.279 -1.283 20 0 BAADLO CON1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000846977458 588300097 /nfs/dbraw/zinc/30/00/97/588300097.db2.gz RNYLRHFYTPPWBM-UHFFFAOYSA-N 1 2 237.325 -1.285 20 0 BAADLO CON1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000846979063 645408175 /nfs/dbraw/zinc/40/81/75/645408175.db2.gz QAXZPNVKRNTWGF-MRVPVSSYSA-N 1 2 227.264 -1.029 20 0 BAADLO CON1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000846979065 645409453 /nfs/dbraw/zinc/40/94/53/645409453.db2.gz QAXZPNVKRNTWGF-QMMMGPOBSA-N 1 2 227.264 -1.029 20 0 BAADLO CON1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000846984717 588300321 /nfs/dbraw/zinc/30/03/21/588300321.db2.gz NYGWNLJHHHLLBO-UHFFFAOYSA-N 1 2 242.279 -1.283 20 0 BAADLO CON1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000846986575 588300346 /nfs/dbraw/zinc/30/03/46/588300346.db2.gz UKCAKGVEEXAISA-UHFFFAOYSA-N 1 2 216.241 -1.640 20 0 BAADLO CON1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000846987238 588300221 /nfs/dbraw/zinc/30/02/21/588300221.db2.gz XZPUMDSBCYPACD-SSDOTTSWSA-N 1 2 230.268 -1.251 20 0 BAADLO CON1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000846987239 588300384 /nfs/dbraw/zinc/30/03/84/588300384.db2.gz XZPUMDSBCYPACD-ZETCQYMHSA-N 1 2 230.268 -1.251 20 0 BAADLO CN(C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847138662 588307550 /nfs/dbraw/zinc/30/75/50/588307550.db2.gz HMAOBNLVQRXKSM-SECBINFHSA-N 1 2 231.296 -1.049 20 0 BAADLO CN(C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847138669 588307566 /nfs/dbraw/zinc/30/75/66/588307566.db2.gz HMAOBNLVQRXKSM-VIFPVBQESA-N 1 2 231.296 -1.049 20 0 BAADLO CNC(=O)[C@H](O)CNc1[nH+]cnc(N)c1OC ZINC000848689221 588405702 /nfs/dbraw/zinc/40/57/02/588405702.db2.gz AZIWBVKSBKLMOI-RXMQYKEDSA-N 1 2 241.251 -1.414 20 0 BAADLO CNC(=O)[C@H](O)CNc1nc[nH+]c(N)c1OC ZINC000848689221 588405700 /nfs/dbraw/zinc/40/57/00/588405700.db2.gz AZIWBVKSBKLMOI-RXMQYKEDSA-N 1 2 241.251 -1.414 20 0 BAADLO CNC(=O)[C@@H](O)CNc1[nH+]cnc(N)c1OC ZINC000848689227 588405808 /nfs/dbraw/zinc/40/58/08/588405808.db2.gz AZIWBVKSBKLMOI-YFKPBYRVSA-N 1 2 241.251 -1.414 20 0 BAADLO CNC(=O)[C@@H](O)CNc1nc[nH+]c(N)c1OC ZINC000848689227 588405807 /nfs/dbraw/zinc/40/58/07/588405807.db2.gz AZIWBVKSBKLMOI-YFKPBYRVSA-N 1 2 241.251 -1.414 20 0 BAADLO CCONC(=O)CNC1=[NH+]CCN1C ZINC000849048210 588451094 /nfs/dbraw/zinc/45/10/94/588451094.db2.gz DOJYLONUFJPYQE-UHFFFAOYSA-N 1 2 200.242 -1.055 20 0 BAADLO CCONC(=O)CNC(=[NH2+])NCCOC ZINC000849048227 588450923 /nfs/dbraw/zinc/45/09/23/588450923.db2.gz DYUCEKMDIXPHQO-UHFFFAOYSA-N 1 2 218.257 -1.186 20 0 BAADLO CCONC(=O)CNC(=[NH2+])N1CCOCC1 ZINC000849048242 582841893 /nfs/dbraw/zinc/84/18/93/582841893.db2.gz FJYFXJXDJMPVLQ-UHFFFAOYSA-N 1 2 230.268 -1.089 20 0 BAADLO CCONC(=O)CNC1=[NH+]C[C@H](C)N1 ZINC000849049314 588451412 /nfs/dbraw/zinc/45/14/12/588451412.db2.gz QKIIQERLYOUYQE-LURJTMIESA-N 1 2 200.242 -1.009 20 0 BAADLO CCONC(=O)CNC1=[NH+]C[C@@H](C)N1 ZINC000849049315 588451393 /nfs/dbraw/zinc/45/13/93/588451393.db2.gz QKIIQERLYOUYQE-ZCFIWIBFSA-N 1 2 200.242 -1.009 20 0 BAADLO CCn1ncc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000851798752 588630178 /nfs/dbraw/zinc/63/01/78/588630178.db2.gz NHLJTDJHEFTSLS-DTORHVGOSA-N 1 2 212.253 -1.165 20 0 BAADLO CCn1ncc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000851798752 588630177 /nfs/dbraw/zinc/63/01/77/588630177.db2.gz NHLJTDJHEFTSLS-DTORHVGOSA-N 1 2 212.253 -1.165 20 0 BAADLO O=C(CO)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851869849 588637467 /nfs/dbraw/zinc/63/74/67/588637467.db2.gz SZBAQMFICITHBT-SECBINFHSA-N 1 2 242.275 -1.172 20 0 BAADLO O=C(CO)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851869850 588637449 /nfs/dbraw/zinc/63/74/49/588637449.db2.gz SZBAQMFICITHBT-VIFPVBQESA-N 1 2 242.275 -1.172 20 0 BAADLO CCn1ncc(C[NH2+]C(CO)CO)n1 ZINC000852124299 588665534 /nfs/dbraw/zinc/66/55/34/588665534.db2.gz RJTNJXWFYFVYCY-UHFFFAOYSA-N 1 2 200.242 -1.259 20 0 BAADLO OCCOCC[N@@H+](CCO)Cc1cnon1 ZINC000852161250 588668471 /nfs/dbraw/zinc/66/84/71/588668471.db2.gz FZHVDEXNLHBYGZ-UHFFFAOYSA-N 1 2 231.252 -1.127 20 0 BAADLO OCCOCC[N@H+](CCO)Cc1cnon1 ZINC000852161250 588668470 /nfs/dbraw/zinc/66/84/70/588668470.db2.gz FZHVDEXNLHBYGZ-UHFFFAOYSA-N 1 2 231.252 -1.127 20 0 BAADLO CN1CC[N@@H+](CCS(N)(=O)=O)CCC1=O ZINC000852580543 588691644 /nfs/dbraw/zinc/69/16/44/588691644.db2.gz NYGZZIIDZZKLCO-UHFFFAOYSA-N 1 2 235.309 -1.561 20 0 BAADLO CN1CC[N@H+](CCS(N)(=O)=O)CCC1=O ZINC000852580543 588691643 /nfs/dbraw/zinc/69/16/43/588691643.db2.gz NYGZZIIDZZKLCO-UHFFFAOYSA-N 1 2 235.309 -1.561 20 0 BAADLO [NH3+]CC[N@H+](CCO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746331 588698912 /nfs/dbraw/zinc/69/89/12/588698912.db2.gz IWCBYBYVEDZTJW-JTQLQIEISA-N 1 2 229.324 -1.240 20 0 BAADLO [NH3+]CC[N@H+](CCO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746332 588699252 /nfs/dbraw/zinc/69/92/52/588699252.db2.gz IWCBYBYVEDZTJW-SNVBAGLBSA-N 1 2 229.324 -1.240 20 0 BAADLO CN1C(=O)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000854381159 588785548 /nfs/dbraw/zinc/78/55/48/588785548.db2.gz FMCLUQATTCIHNA-LURJTMIESA-N 1 2 236.231 -1.174 20 0 BAADLO CN1C(=O)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000854381160 588785433 /nfs/dbraw/zinc/78/54/33/588785433.db2.gz FMCLUQATTCIHNA-ZCFIWIBFSA-N 1 2 236.231 -1.174 20 0 BAADLO CN1C(=O)CN(C(=O)Cc2[nH]cc[nH+]2)CC1=O ZINC000854381314 588785490 /nfs/dbraw/zinc/78/54/90/588785490.db2.gz JTERGKVVRWGAIG-UHFFFAOYSA-N 1 2 236.231 -1.221 20 0 BAADLO C[NH+](C)CCO[N-]C(=O)C[NH+]1CCOCC1 ZINC000854945304 588817758 /nfs/dbraw/zinc/81/77/58/588817758.db2.gz FWJZUCLJMRGSLM-UHFFFAOYSA-N 1 2 231.296 -1.072 20 0 BAADLO CC[N@@H+](CCS(=O)(=O)NC)CC(=O)NC ZINC000856721478 588875263 /nfs/dbraw/zinc/87/52/63/588875263.db2.gz KZFJGZICQNQPQQ-UHFFFAOYSA-N 1 2 237.325 -1.397 20 0 BAADLO CC[N@H+](CCS(=O)(=O)NC)CC(=O)NC ZINC000856721478 588875262 /nfs/dbraw/zinc/87/52/62/588875262.db2.gz KZFJGZICQNQPQQ-UHFFFAOYSA-N 1 2 237.325 -1.397 20 0 BAADLO CNS(=O)(=O)CC[N@H+]1CCCNC(=O)C1 ZINC000856724033 588875017 /nfs/dbraw/zinc/87/50/17/588875017.db2.gz PRRQDAWBQIHLKM-UHFFFAOYSA-N 1 2 235.309 -1.643 20 0 BAADLO CNS(=O)(=O)CC[N@@H+]1CCCNC(=O)C1 ZINC000856724033 588875016 /nfs/dbraw/zinc/87/50/16/588875016.db2.gz PRRQDAWBQIHLKM-UHFFFAOYSA-N 1 2 235.309 -1.643 20 0 BAADLO CNS(=O)(=O)CC[NH+]1CCN(OC)CC1 ZINC000856746014 588875790 /nfs/dbraw/zinc/87/57/90/588875790.db2.gz OOULWCGOPNAPDP-UHFFFAOYSA-N 1 2 237.325 -1.285 20 0 BAADLO CCS(=O)(=O)CCNc1nc(N)nc(N)[nH+]1 ZINC000858388620 588950719 /nfs/dbraw/zinc/95/07/19/588950719.db2.gz UYRAKLQKMAJXQD-UHFFFAOYSA-N 1 2 246.296 -1.117 20 0 BAADLO CCn1ncc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1 ZINC000859454822 589038773 /nfs/dbraw/zinc/03/87/73/589038773.db2.gz NHLJTDJHEFTSLS-IUCAKERBSA-N 1 2 212.253 -1.165 20 0 BAADLO CON(C)C(=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000859664465 589052989 /nfs/dbraw/zinc/05/29/89/589052989.db2.gz CMTFTVXQYNNSGS-ZETCQYMHSA-N 1 2 215.253 -1.044 20 0 BAADLO CON(C)C(=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000859664465 589052987 /nfs/dbraw/zinc/05/29/87/589052987.db2.gz CMTFTVXQYNNSGS-ZETCQYMHSA-N 1 2 215.253 -1.044 20 0 BAADLO O=C(OCC[NH+]1CCOCC1)[C@@H]1COC(=O)N1 ZINC000859911885 589070029 /nfs/dbraw/zinc/07/00/29/589070029.db2.gz WDCOUKCLZPCIHK-QMMMGPOBSA-N 1 2 244.247 -1.030 20 0 BAADLO C[N@H+]1CCO[C@@H](C(=O)NN2CCOC2=O)C1 ZINC000862701248 589233805 /nfs/dbraw/zinc/23/38/05/589233805.db2.gz QBRZZFQTDWJMIU-SSDOTTSWSA-N 1 2 229.236 -1.200 20 0 BAADLO C[N@@H+]1CCO[C@@H](C(=O)NN2CCOC2=O)C1 ZINC000862701248 589233804 /nfs/dbraw/zinc/23/38/04/589233804.db2.gz QBRZZFQTDWJMIU-SSDOTTSWSA-N 1 2 229.236 -1.200 20 0 BAADLO C[N@H+]1CCO[C@H](C(=O)NN2CCOC2=O)C1 ZINC000862701249 589233790 /nfs/dbraw/zinc/23/37/90/589233790.db2.gz QBRZZFQTDWJMIU-ZETCQYMHSA-N 1 2 229.236 -1.200 20 0 BAADLO C[N@@H+]1CCO[C@H](C(=O)NN2CCOC2=O)C1 ZINC000862701249 589233789 /nfs/dbraw/zinc/23/37/89/589233789.db2.gz QBRZZFQTDWJMIU-ZETCQYMHSA-N 1 2 229.236 -1.200 20 0 BAADLO C[C@@H](C(=O)NN1CCS(=O)(=O)CC1)[NH+](C)C ZINC000862733874 589236813 /nfs/dbraw/zinc/23/68/13/589236813.db2.gz BGOUWNMDMUVVKG-QMMMGPOBSA-N 1 2 249.336 -1.302 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC000862968121 589249617 /nfs/dbraw/zinc/24/96/17/589249617.db2.gz HZDRWFREXVWKJR-SFYZADRCSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC000862968121 589249616 /nfs/dbraw/zinc/24/96/16/589249616.db2.gz HZDRWFREXVWKJR-SFYZADRCSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC000862968122 589249389 /nfs/dbraw/zinc/24/93/89/589249389.db2.gz HZDRWFREXVWKJR-YUMQZZPRSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC000862968122 589249387 /nfs/dbraw/zinc/24/93/87/589249387.db2.gz HZDRWFREXVWKJR-YUMQZZPRSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000862969019 589249536 /nfs/dbraw/zinc/24/95/36/589249536.db2.gz HZDRWFREXVWKJR-HTQZYQBOSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000862969019 589249534 /nfs/dbraw/zinc/24/95/34/589249534.db2.gz HZDRWFREXVWKJR-HTQZYQBOSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000862969020 583973815 /nfs/dbraw/zinc/97/38/15/583973815.db2.gz HZDRWFREXVWKJR-JGVFFNPUSA-N 1 2 243.263 -1.458 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC000862969020 583973814 /nfs/dbraw/zinc/97/38/14/583973814.db2.gz HZDRWFREXVWKJR-JGVFFNPUSA-N 1 2 243.263 -1.458 20 0 BAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000862973948 589250376 /nfs/dbraw/zinc/25/03/76/589250376.db2.gz XNKXJROYBPDOQG-MRVPVSSYSA-N 1 2 245.279 -1.211 20 0 BAADLO COC(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000862973948 589250375 /nfs/dbraw/zinc/25/03/75/589250375.db2.gz XNKXJROYBPDOQG-MRVPVSSYSA-N 1 2 245.279 -1.211 20 0 BAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000862973949 589249878 /nfs/dbraw/zinc/24/98/78/589249878.db2.gz XNKXJROYBPDOQG-QMMMGPOBSA-N 1 2 245.279 -1.211 20 0 BAADLO COC(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000862973949 589249877 /nfs/dbraw/zinc/24/98/77/589249877.db2.gz XNKXJROYBPDOQG-QMMMGPOBSA-N 1 2 245.279 -1.211 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=S)NCC(N)=O ZINC000863226628 589273275 /nfs/dbraw/zinc/27/32/75/589273275.db2.gz MYVWBYPMOJJJBY-SSDOTTSWSA-N 1 2 246.336 -1.734 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=S)NCC(N)=O ZINC000863226628 589273274 /nfs/dbraw/zinc/27/32/74/589273274.db2.gz MYVWBYPMOJJJBY-SSDOTTSWSA-N 1 2 246.336 -1.734 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=S)NCC(N)=O ZINC000863226629 589273440 /nfs/dbraw/zinc/27/34/40/589273440.db2.gz MYVWBYPMOJJJBY-ZETCQYMHSA-N 1 2 246.336 -1.734 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=S)NCC(N)=O ZINC000863226629 589273439 /nfs/dbraw/zinc/27/34/39/589273439.db2.gz MYVWBYPMOJJJBY-ZETCQYMHSA-N 1 2 246.336 -1.734 20 0 BAADLO C[N@H+]1CCN(C(=O)[C@H](O)C(C)(C)O)C[C@@H]1CO ZINC000864077296 589340702 /nfs/dbraw/zinc/34/07/02/589340702.db2.gz DMSQFLWWWNJPNX-BDAKNGLRSA-N 1 2 246.307 -1.747 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@H](O)C(C)(C)O)C[C@@H]1CO ZINC000864077296 589340700 /nfs/dbraw/zinc/34/07/00/589340700.db2.gz DMSQFLWWWNJPNX-BDAKNGLRSA-N 1 2 246.307 -1.747 20 0 BAADLO C[N@H+]1CCN(C(=O)[C@@H](O)C(C)(C)O)C[C@H]1CO ZINC000864077297 589340549 /nfs/dbraw/zinc/34/05/49/589340549.db2.gz DMSQFLWWWNJPNX-DTWKUNHWSA-N 1 2 246.307 -1.747 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@@H](O)C(C)(C)O)C[C@H]1CO ZINC000864077297 589340547 /nfs/dbraw/zinc/34/05/47/589340547.db2.gz DMSQFLWWWNJPNX-DTWKUNHWSA-N 1 2 246.307 -1.747 20 0 BAADLO C[N@H+]1CCN(C(=O)[C@H](O)C(C)(C)O)C[C@H]1CO ZINC000864077298 589340379 /nfs/dbraw/zinc/34/03/79/589340379.db2.gz DMSQFLWWWNJPNX-IUCAKERBSA-N 1 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/nfs/dbraw/zinc/34/08/02/589340802.db2.gz NPGODIWUULYKCL-LPEHRKFASA-N 1 2 228.292 -1.108 20 0 BAADLO C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C2)C[C@H]1CO ZINC000864078421 589340801 /nfs/dbraw/zinc/34/08/01/589340801.db2.gz NPGODIWUULYKCL-LPEHRKFASA-N 1 2 228.292 -1.108 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C(C)(C)O ZINC000864080458 589341713 /nfs/dbraw/zinc/34/17/13/589341713.db2.gz FTOFNPKXHAWGAF-BDAKNGLRSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](O)C(C)(C)O ZINC000864080458 589341711 /nfs/dbraw/zinc/34/17/11/589341711.db2.gz FTOFNPKXHAWGAF-BDAKNGLRSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C(C)(C)O ZINC000864080459 589341431 /nfs/dbraw/zinc/34/14/31/589341431.db2.gz FTOFNPKXHAWGAF-DTWKUNHWSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](O)C(C)(C)O ZINC000864080459 589341430 /nfs/dbraw/zinc/34/14/30/589341430.db2.gz FTOFNPKXHAWGAF-DTWKUNHWSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)(C)O ZINC000864080460 589341467 /nfs/dbraw/zinc/34/14/67/589341467.db2.gz FTOFNPKXHAWGAF-IUCAKERBSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](O)C(C)(C)O ZINC000864080460 589341465 /nfs/dbraw/zinc/34/14/65/589341465.db2.gz FTOFNPKXHAWGAF-IUCAKERBSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C(C)(C)O ZINC000864080461 589341346 /nfs/dbraw/zinc/34/13/46/589341346.db2.gz FTOFNPKXHAWGAF-RKDXNWHRSA-N 1 2 246.307 -1.435 20 0 BAADLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](O)C(C)(C)O ZINC000864080461 589341344 /nfs/dbraw/zinc/34/13/44/589341344.db2.gz FTOFNPKXHAWGAF-RKDXNWHRSA-N 1 2 246.307 -1.435 20 0 BAADLO O=C(/C=C/C[NH+]1CCOCC1)NCCO ZINC000864407261 589358994 /nfs/dbraw/zinc/35/89/94/589358994.db2.gz XFMOLOANLSAKKO-OWOJBTEDSA-N 1 2 214.265 -1.017 20 0 BAADLO O=C(/C=C\C[NH+]1CCOCC1)NCCO ZINC000864407262 589358965 /nfs/dbraw/zinc/35/89/65/589358965.db2.gz XFMOLOANLSAKKO-UPHRSURJSA-N 1 2 214.265 -1.017 20 0 BAADLO 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/nfs/dbraw/zinc/57/46/68/589574668.db2.gz WNUIXABXFOYRHR-RCOVLWMOSA-N 1 2 238.247 -1.210 20 0 BAADLO O=C(CO)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870065673 589644330 /nfs/dbraw/zinc/64/43/30/589644330.db2.gz RTPCTVQHLKGNCR-JTQLQIEISA-N 1 2 244.291 -1.462 20 0 BAADLO O=C(CO)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870065674 589644315 /nfs/dbraw/zinc/64/43/15/589644315.db2.gz RTPCTVQHLKGNCR-SNVBAGLBSA-N 1 2 244.291 -1.462 20 0 BAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NC ZINC000871760085 589807531 /nfs/dbraw/zinc/80/75/31/589807531.db2.gz FUOBCBLLFZGCBN-SECBINFHSA-N 1 2 243.307 -1.041 20 0 BAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC ZINC000871760085 589807530 /nfs/dbraw/zinc/80/75/30/589807530.db2.gz FUOBCBLLFZGCBN-SECBINFHSA-N 1 2 243.307 -1.041 20 0 BAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NC ZINC000871760086 589808063 /nfs/dbraw/zinc/80/80/63/589808063.db2.gz FUOBCBLLFZGCBN-VIFPVBQESA-N 1 2 243.307 -1.041 20 0 BAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NC ZINC000871760086 589808062 /nfs/dbraw/zinc/80/80/62/589808062.db2.gz FUOBCBLLFZGCBN-VIFPVBQESA-N 1 2 243.307 -1.041 20 0 BAADLO CC[C@@H]1COCC[N@H+]1CCNS(N)(=O)=O ZINC000871760480 589807489 /nfs/dbraw/zinc/80/74/89/589807489.db2.gz MAKAFWFUNLOZLX-MRVPVSSYSA-N 1 2 237.325 -1.110 20 0 BAADLO CC[C@@H]1COCC[N@@H+]1CCNS(N)(=O)=O ZINC000871760480 589807487 /nfs/dbraw/zinc/80/74/87/589807487.db2.gz MAKAFWFUNLOZLX-MRVPVSSYSA-N 1 2 237.325 -1.110 20 0 BAADLO CC[C@H]1COCC[N@H+]1CCNS(N)(=O)=O ZINC000871760481 589807571 /nfs/dbraw/zinc/80/75/71/589807571.db2.gz MAKAFWFUNLOZLX-QMMMGPOBSA-N 1 2 237.325 -1.110 20 0 BAADLO CC[C@H]1COCC[N@@H+]1CCNS(N)(=O)=O ZINC000871760481 589807569 /nfs/dbraw/zinc/80/75/69/589807569.db2.gz MAKAFWFUNLOZLX-QMMMGPOBSA-N 1 2 237.325 -1.110 20 0 BAADLO CC(C)(O)C[C@@H](O)C[N@H+]1CCNC(=O)C1 ZINC000871966360 589848903 /nfs/dbraw/zinc/84/89/03/589848903.db2.gz PPRZOLCDKFDHEH-MRVPVSSYSA-N 1 2 216.281 -1.060 20 0 BAADLO CC(C)(O)C[C@@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000871966360 589848902 /nfs/dbraw/zinc/84/89/02/589848902.db2.gz PPRZOLCDKFDHEH-MRVPVSSYSA-N 1 2 216.281 -1.060 20 0 BAADLO CC(C)(O)C[C@H](O)C[N@H+]1CCNC(=O)C1 ZINC000871966370 589848657 /nfs/dbraw/zinc/84/86/57/589848657.db2.gz PPRZOLCDKFDHEH-QMMMGPOBSA-N 1 2 216.281 -1.060 20 0 BAADLO CC(C)(O)C[C@H](O)C[N@@H+]1CCNC(=O)C1 ZINC000871966370 589848653 /nfs/dbraw/zinc/84/86/53/589848653.db2.gz PPRZOLCDKFDHEH-QMMMGPOBSA-N 1 2 216.281 -1.060 20 0 BAADLO CS(=O)(=O)NC1C[NH+](C[C@@H](O)C2CC2)C1 ZINC000871985192 589853769 /nfs/dbraw/zinc/85/37/69/589853769.db2.gz MKGFILBFWUFRKN-SECBINFHSA-N 1 2 234.321 -1.009 20 0 BAADLO CS(=O)(=O)NC1C[NH+](C[C@H](O)C2CC2)C1 ZINC000871985254 589853737 /nfs/dbraw/zinc/85/37/37/589853737.db2.gz MKGFILBFWUFRKN-VIFPVBQESA-N 1 2 234.321 -1.009 20 0 BAADLO COC(=O)C1(O)C[NH+](CCC(=O)N(C)OC)C1 ZINC000871991611 589854542 /nfs/dbraw/zinc/85/45/42/589854542.db2.gz FAQFTHDEMFEISF-UHFFFAOYSA-N 1 2 246.263 -1.384 20 0 BAADLO COC(=O)C1(O)C[NH+](C[C@@]2(O)CCCOC2)C1 ZINC000871991629 589854490 /nfs/dbraw/zinc/85/44/90/589854490.db2.gz FOYGYQZYXJGGEH-JTQLQIEISA-N 1 2 245.275 -1.252 20 0 BAADLO COC(=O)C1(O)C[NH+](C[C@]2(O)CCCOC2)C1 ZINC000871991630 589854948 /nfs/dbraw/zinc/85/49/48/589854948.db2.gz FOYGYQZYXJGGEH-SNVBAGLBSA-N 1 2 245.275 -1.252 20 0 BAADLO COC(=O)C1(O)C[NH+](C[C@@H](O)CSC)C1 ZINC000871992172 589854921 /nfs/dbraw/zinc/85/49/21/589854921.db2.gz UCCCWGOMIQUETA-SSDOTTSWSA-N 1 2 235.305 -1.070 20 0 BAADLO COC(=O)C1(O)C[NH+](C[C@H](O)CSC)C1 ZINC000871992173 589854936 /nfs/dbraw/zinc/85/49/36/589854936.db2.gz UCCCWGOMIQUETA-ZETCQYMHSA-N 1 2 235.305 -1.070 20 0 BAADLO COC(=O)C1(O)C[NH+](C[C@@H](O)C2CC2)C1 ZINC000871992189 589854758 /nfs/dbraw/zinc/85/47/58/589854758.db2.gz UTJWTHAXKLVPOK-MRVPVSSYSA-N 1 2 215.249 -1.023 20 0 BAADLO COC(=O)C1(O)C[NH+](C[C@H](O)C2CC2)C1 ZINC000871992190 589854340 /nfs/dbraw/zinc/85/43/40/589854340.db2.gz UTJWTHAXKLVPOK-QMMMGPOBSA-N 1 2 215.249 -1.023 20 0 BAADLO CCOCC[C@@H](O)C[NH+]1CC(O)(C(=O)OC)C1 ZINC000871992202 589854389 /nfs/dbraw/zinc/85/43/89/589854389.db2.gz VMOFHSWJKLMNCR-SECBINFHSA-N 1 2 247.291 -1.006 20 0 BAADLO CCOCC[C@H](O)C[NH+]1CC(O)(C(=O)OC)C1 ZINC000871992203 589854406 /nfs/dbraw/zinc/85/44/06/589854406.db2.gz VMOFHSWJKLMNCR-VIFPVBQESA-N 1 2 247.291 -1.006 20 0 BAADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(N)=O ZINC000874709367 590124849 /nfs/dbraw/zinc/12/48/49/590124849.db2.gz BQKYAYKMQMHAMG-MRVPVSSYSA-N 1 2 229.280 -1.301 20 0 BAADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(N)=O ZINC000874709367 590124847 /nfs/dbraw/zinc/12/48/47/590124847.db2.gz BQKYAYKMQMHAMG-MRVPVSSYSA-N 1 2 229.280 -1.301 20 0 BAADLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(N)=O ZINC000874709368 590124987 /nfs/dbraw/zinc/12/49/87/590124987.db2.gz BQKYAYKMQMHAMG-QMMMGPOBSA-N 1 2 229.280 -1.301 20 0 BAADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(N)=O ZINC000874709368 590124985 /nfs/dbraw/zinc/12/49/85/590124985.db2.gz BQKYAYKMQMHAMG-QMMMGPOBSA-N 1 2 229.280 -1.301 20 0 BAADLO Cn1ncc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1 ZINC000877720092 590400795 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/nfs/dbraw/zinc/44/54/30/590445430.db2.gz LVGGGSLRZVWTQK-UHFFFAOYSA-N 1 2 224.268 -1.012 20 0 BAADLO COC(=O)C[N@@H+](C)CCc1nnnn1C ZINC000877920964 590447168 /nfs/dbraw/zinc/44/71/68/590447168.db2.gz DHKXKLARFDKFTN-UHFFFAOYSA-N 1 2 213.241 -1.143 20 0 BAADLO COC(=O)C[N@H+](C)CCc1nnnn1C ZINC000877920964 590447167 /nfs/dbraw/zinc/44/71/67/590447167.db2.gz DHKXKLARFDKFTN-UHFFFAOYSA-N 1 2 213.241 -1.143 20 0 BAADLO CC(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877934888 590451420 /nfs/dbraw/zinc/45/14/20/590451420.db2.gz MAHWSNYFNJYRQC-UHFFFAOYSA-N 1 2 224.268 -1.163 20 0 BAADLO Cn1nnnc1CC[N@@H+](C)CC(=O)NC1CC1 ZINC000877940010 590453188 /nfs/dbraw/zinc/45/31/88/590453188.db2.gz FLPOJJFFRFFUDC-UHFFFAOYSA-N 1 2 238.295 -1.037 20 0 BAADLO Cn1nnnc1CC[N@H+](C)CC(=O)NC1CC1 ZINC000877940010 590453187 /nfs/dbraw/zinc/45/31/87/590453187.db2.gz FLPOJJFFRFFUDC-UHFFFAOYSA-N 1 2 238.295 -1.037 20 0 BAADLO COCCN1CC[NH+](CCn2cnnn2)CC1 ZINC000877950509 590455574 /nfs/dbraw/zinc/45/55/74/590455574.db2.gz MDHPLANQJRHASG-UHFFFAOYSA-N 1 2 240.311 -1.063 20 0 BAADLO CCNC(=O)C[N@@H+](C)CCc1nnnn1C ZINC000877973972 590463468 /nfs/dbraw/zinc/46/34/68/590463468.db2.gz IDTGZSJGEIRWGI-UHFFFAOYSA-N 1 2 226.284 -1.180 20 0 BAADLO CCNC(=O)C[N@H+](C)CCc1nnnn1C ZINC000877973972 590463467 /nfs/dbraw/zinc/46/34/67/590463467.db2.gz IDTGZSJGEIRWGI-UHFFFAOYSA-N 1 2 226.284 -1.180 20 0 BAADLO O=C1C[N@@H+](CCn2cnnn2)CCCN1 ZINC000878039280 590477515 /nfs/dbraw/zinc/47/75/15/590477515.db2.gz NXBJQDJVRNVUAB-UHFFFAOYSA-N 1 2 210.241 -1.505 20 0 BAADLO O=C1C[N@H+](CCn2cnnn2)CCCN1 ZINC000878039280 590477514 /nfs/dbraw/zinc/47/75/14/590477514.db2.gz NXBJQDJVRNVUAB-UHFFFAOYSA-N 1 2 210.241 -1.505 20 0 BAADLO C[C@@H]1C(=O)NCC[N@@H+]1CCc1nnnn1C ZINC000878040129 590478007 /nfs/dbraw/zinc/47/80/07/590478007.db2.gz HPNJGKDYQKJSPQ-SSDOTTSWSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@@H]1C(=O)NCC[N@H+]1CCc1nnnn1C ZINC000878040129 590478005 /nfs/dbraw/zinc/47/80/05/590478005.db2.gz HPNJGKDYQKJSPQ-SSDOTTSWSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@H]1C(=O)NCC[N@@H+]1CCc1nnnn1C ZINC000878040130 590478202 /nfs/dbraw/zinc/47/82/02/590478202.db2.gz HPNJGKDYQKJSPQ-ZETCQYMHSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@H]1C(=O)NCC[N@H+]1CCc1nnnn1C ZINC000878040130 590478201 /nfs/dbraw/zinc/47/82/01/590478201.db2.gz HPNJGKDYQKJSPQ-ZETCQYMHSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878041353 590477891 /nfs/dbraw/zinc/47/78/91/590477891.db2.gz UDHUQISCJXVQKV-SSDOTTSWSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878041353 590477888 /nfs/dbraw/zinc/47/78/88/590477888.db2.gz UDHUQISCJXVQKV-SSDOTTSWSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878041377 590478606 /nfs/dbraw/zinc/47/86/06/590478606.db2.gz UDHUQISCJXVQKV-ZETCQYMHSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878041377 590478603 /nfs/dbraw/zinc/47/86/03/590478603.db2.gz UDHUQISCJXVQKV-ZETCQYMHSA-N 1 2 210.241 -1.507 20 0 BAADLO C[N@@H+](CCn1cnnn1)CCS(C)(=O)=O ZINC000878045563 590479895 /nfs/dbraw/zinc/47/98/95/590479895.db2.gz QIKRXOGQHPGEQJ-UHFFFAOYSA-N 1 2 233.297 -1.351 20 0 BAADLO C[N@H+](CCn1cnnn1)CCS(C)(=O)=O ZINC000878045563 590479893 /nfs/dbraw/zinc/47/98/93/590479893.db2.gz QIKRXOGQHPGEQJ-UHFFFAOYSA-N 1 2 233.297 -1.351 20 0 BAADLO Cn1nnnc1CC[N@H+]1CCNC(=O)C1(C)C ZINC000878107744 590495791 /nfs/dbraw/zinc/49/57/91/590495791.db2.gz WCOOHOIEYUFHKQ-UHFFFAOYSA-N 1 2 238.295 -1.037 20 0 BAADLO Cn1nnnc1CC[N@@H+]1CCNC(=O)C1(C)C ZINC000878107744 590495787 /nfs/dbraw/zinc/49/57/87/590495787.db2.gz WCOOHOIEYUFHKQ-UHFFFAOYSA-N 1 2 238.295 -1.037 20 0 BAADLO CC1(C)C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878109791 590495922 /nfs/dbraw/zinc/49/59/22/590495922.db2.gz WGZBSOLDFCQWQU-UHFFFAOYSA-N 1 2 224.268 -1.117 20 0 BAADLO CC1(C)C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878109791 590495920 /nfs/dbraw/zinc/49/59/20/590495920.db2.gz WGZBSOLDFCQWQU-UHFFFAOYSA-N 1 2 224.268 -1.117 20 0 BAADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCc1nnnn1C ZINC000878118741 590499309 /nfs/dbraw/zinc/49/93/09/590499309.db2.gz FJIGEFMEXDIMII-MRVPVSSYSA-N 1 2 238.295 -1.037 20 0 BAADLO CC[C@@H]1C(=O)NCC[N@H+]1CCc1nnnn1C ZINC000878118741 590499306 /nfs/dbraw/zinc/49/93/06/590499306.db2.gz FJIGEFMEXDIMII-MRVPVSSYSA-N 1 2 238.295 -1.037 20 0 BAADLO CC[C@H]1C(=O)NCC[N@@H+]1CCc1nnnn1C ZINC000878118742 590499512 /nfs/dbraw/zinc/49/95/12/590499512.db2.gz FJIGEFMEXDIMII-QMMMGPOBSA-N 1 2 238.295 -1.037 20 0 BAADLO CC[C@H]1C(=O)NCC[N@H+]1CCc1nnnn1C ZINC000878118742 590499509 /nfs/dbraw/zinc/49/95/09/590499509.db2.gz FJIGEFMEXDIMII-QMMMGPOBSA-N 1 2 238.295 -1.037 20 0 BAADLO CC[C@@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878119886 590498638 /nfs/dbraw/zinc/49/86/38/590498638.db2.gz WINYHYWKMNNJOD-MRVPVSSYSA-N 1 2 224.268 -1.117 20 0 BAADLO CC[C@@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878119886 590498636 /nfs/dbraw/zinc/49/86/36/590498636.db2.gz WINYHYWKMNNJOD-MRVPVSSYSA-N 1 2 224.268 -1.117 20 0 BAADLO CC[C@H]1C(=O)NCC[N@@H+]1CCn1cnnn1 ZINC000878119888 590499709 /nfs/dbraw/zinc/49/97/09/590499709.db2.gz WINYHYWKMNNJOD-QMMMGPOBSA-N 1 2 224.268 -1.117 20 0 BAADLO CC[C@H]1C(=O)NCC[N@H+]1CCn1cnnn1 ZINC000878119888 590499707 /nfs/dbraw/zinc/49/97/07/590499707.db2.gz WINYHYWKMNNJOD-QMMMGPOBSA-N 1 2 224.268 -1.117 20 0 BAADLO CN1CC[N@@H+](CCn2cnnn2)CC1=O ZINC000878126420 590502097 /nfs/dbraw/zinc/50/20/97/590502097.db2.gz XERRMINVANZZJT-UHFFFAOYSA-N 1 2 210.241 -1.553 20 0 BAADLO CN1CC[N@H+](CCn2cnnn2)CC1=O ZINC000878126420 590502096 /nfs/dbraw/zinc/50/20/96/590502096.db2.gz XERRMINVANZZJT-UHFFFAOYSA-N 1 2 210.241 -1.553 20 0 BAADLO Cn1nnnc1CC[N@H+]1CCN(C)C(=O)C1 ZINC000878127039 590501296 /nfs/dbraw/zinc/50/12/96/590501296.db2.gz XEYKDEOGQPZLSP-UHFFFAOYSA-N 1 2 224.268 -1.473 20 0 BAADLO Cn1nnnc1CC[N@@H+]1CCN(C)C(=O)C1 ZINC000878127039 590501293 /nfs/dbraw/zinc/50/12/93/590501293.db2.gz XEYKDEOGQPZLSP-UHFFFAOYSA-N 1 2 224.268 -1.473 20 0 BAADLO O=C1C[N@@H+](CCn2cnnn2)CCN1C1CC1 ZINC000878163889 590510464 /nfs/dbraw/zinc/51/04/64/590510464.db2.gz CYKYOBREYVSLCA-UHFFFAOYSA-N 1 2 236.279 -1.020 20 0 BAADLO O=C1C[N@H+](CCn2cnnn2)CCN1C1CC1 ZINC000878163889 590510462 /nfs/dbraw/zinc/51/04/62/590510462.db2.gz CYKYOBREYVSLCA-UHFFFAOYSA-N 1 2 236.279 -1.020 20 0 BAADLO O=C1OC[C@H]2C[N@@H+](CCn3cnnn3)CCN12 ZINC000878195295 590521304 /nfs/dbraw/zinc/52/13/04/590521304.db2.gz PDTDWLMIISTXBN-MRVPVSSYSA-N 1 2 238.251 -1.191 20 0 BAADLO O=C1OC[C@H]2C[N@H+](CCn3cnnn3)CCN12 ZINC000878195295 590521303 /nfs/dbraw/zinc/52/13/03/590521303.db2.gz PDTDWLMIISTXBN-MRVPVSSYSA-N 1 2 238.251 -1.191 20 0 BAADLO O=C1OC[C@@H]2C[N@@H+](CCn3cnnn3)CCN12 ZINC000878195296 590521358 /nfs/dbraw/zinc/52/13/58/590521358.db2.gz PDTDWLMIISTXBN-QMMMGPOBSA-N 1 2 238.251 -1.191 20 0 BAADLO O=C1OC[C@@H]2C[N@H+](CCn3cnnn3)CCN12 ZINC000878195296 590521356 /nfs/dbraw/zinc/52/13/56/590521356.db2.gz PDTDWLMIISTXBN-QMMMGPOBSA-N 1 2 238.251 -1.191 20 0 BAADLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1nnnn1C ZINC000878195911 583366924 /nfs/dbraw/zinc/36/69/24/583366924.db2.gz WFTMAFZMTZPOJL-BDAKNGLRSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1nnnn1C ZINC000878195911 583366921 /nfs/dbraw/zinc/36/69/21/583366921.db2.gz WFTMAFZMTZPOJL-BDAKNGLRSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1nnnn1C ZINC000878195912 583367190 /nfs/dbraw/zinc/36/71/90/583367190.db2.gz WFTMAFZMTZPOJL-DTWKUNHWSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1nnnn1C ZINC000878195912 583367187 /nfs/dbraw/zinc/36/71/87/583367187.db2.gz WFTMAFZMTZPOJL-DTWKUNHWSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1CO[C@H](CO)C[N@H+]1CCc1nnnn1C ZINC000878195913 583367495 /nfs/dbraw/zinc/36/74/95/583367495.db2.gz WFTMAFZMTZPOJL-IUCAKERBSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCc1nnnn1C ZINC000878195913 583367494 /nfs/dbraw/zinc/36/74/94/583367494.db2.gz WFTMAFZMTZPOJL-IUCAKERBSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1nnnn1C ZINC000878195914 583367640 /nfs/dbraw/zinc/36/76/40/583367640.db2.gz WFTMAFZMTZPOJL-RKDXNWHRSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1nnnn1C ZINC000878195914 583367639 /nfs/dbraw/zinc/36/76/39/583367639.db2.gz WFTMAFZMTZPOJL-RKDXNWHRSA-N 1 2 241.295 -1.166 20 0 BAADLO CNC(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878262918 590530682 /nfs/dbraw/zinc/53/06/82/590530682.db2.gz VLMGDDNZYVCEQR-UHFFFAOYSA-N 1 2 239.283 -1.370 20 0 BAADLO O=C(CO)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878304081 590533417 /nfs/dbraw/zinc/53/34/17/590533417.db2.gz BZKQTYWRBQZXCP-UHFFFAOYSA-N 1 2 240.267 -2.190 20 0 BAADLO Cn1nnnc1CC[N@H+]1CCOC[C@H]1CCO ZINC000878318572 590544315 /nfs/dbraw/zinc/54/43/15/590544315.db2.gz VPJUVYYUGZEZSD-SECBINFHSA-N 1 2 241.295 -1.164 20 0 BAADLO Cn1nnnc1CC[N@@H+]1CCOC[C@H]1CCO ZINC000878318572 590544314 /nfs/dbraw/zinc/54/43/14/590544314.db2.gz VPJUVYYUGZEZSD-SECBINFHSA-N 1 2 241.295 -1.164 20 0 BAADLO Cn1nnnc1CC[N@H+]1CCOC[C@@H]1CCO ZINC000878318573 590543643 /nfs/dbraw/zinc/54/36/43/590543643.db2.gz VPJUVYYUGZEZSD-VIFPVBQESA-N 1 2 241.295 -1.164 20 0 BAADLO Cn1nnnc1CC[N@@H+]1CCOC[C@@H]1CCO ZINC000878318573 590543642 /nfs/dbraw/zinc/54/36/42/590543642.db2.gz VPJUVYYUGZEZSD-VIFPVBQESA-N 1 2 241.295 -1.164 20 0 BAADLO NC(=O)[C@H]1CSCC[N@H+]1CCn1cnnn1 ZINC000878329577 590547769 /nfs/dbraw/zinc/54/77/69/590547769.db2.gz PEMFNLRJLNDAIG-SSDOTTSWSA-N 1 2 242.308 -1.424 20 0 BAADLO NC(=O)[C@H]1CSCC[N@@H+]1CCn1cnnn1 ZINC000878329577 590547768 /nfs/dbraw/zinc/54/77/68/590547768.db2.gz PEMFNLRJLNDAIG-SSDOTTSWSA-N 1 2 242.308 -1.424 20 0 BAADLO NC(=O)[C@@H]1CSCC[N@H+]1CCn1cnnn1 ZINC000878329578 590547757 /nfs/dbraw/zinc/54/77/57/590547757.db2.gz PEMFNLRJLNDAIG-ZETCQYMHSA-N 1 2 242.308 -1.424 20 0 BAADLO NC(=O)[C@@H]1CSCC[N@@H+]1CCn1cnnn1 ZINC000878329578 590547754 /nfs/dbraw/zinc/54/77/54/590547754.db2.gz PEMFNLRJLNDAIG-ZETCQYMHSA-N 1 2 242.308 -1.424 20 0 BAADLO CNC(=O)[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878396204 590559371 /nfs/dbraw/zinc/55/93/71/590559371.db2.gz KBFFERRGTBMWGY-MRVPVSSYSA-N 1 2 240.267 -1.880 20 0 BAADLO CNC(=O)[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878396204 590559369 /nfs/dbraw/zinc/55/93/69/590559369.db2.gz KBFFERRGTBMWGY-MRVPVSSYSA-N 1 2 240.267 -1.880 20 0 BAADLO CNC(=O)[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878396205 590560042 /nfs/dbraw/zinc/56/00/42/590560042.db2.gz KBFFERRGTBMWGY-QMMMGPOBSA-N 1 2 240.267 -1.880 20 0 BAADLO CNC(=O)[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878396205 590560039 /nfs/dbraw/zinc/56/00/39/590560039.db2.gz KBFFERRGTBMWGY-QMMMGPOBSA-N 1 2 240.267 -1.880 20 0 BAADLO CCN1CC[N@@H+](CCn2cnnn2)CC1=O ZINC000878426866 590565431 /nfs/dbraw/zinc/56/54/31/590565431.db2.gz FSNLPDHDVIRVQG-UHFFFAOYSA-N 1 2 224.268 -1.163 20 0 BAADLO CCN1CC[N@H+](CCn2cnnn2)CC1=O ZINC000878426866 590565428 /nfs/dbraw/zinc/56/54/28/590565428.db2.gz FSNLPDHDVIRVQG-UHFFFAOYSA-N 1 2 224.268 -1.163 20 0 BAADLO CCN1CC[N@@H+](CCc2nnnn2C)CC1=O ZINC000878428124 590565074 /nfs/dbraw/zinc/56/50/74/590565074.db2.gz QOJOSLUEHLRZEX-UHFFFAOYSA-N 1 2 238.295 -1.083 20 0 BAADLO CCN1CC[N@H+](CCc2nnnn2C)CC1=O ZINC000878428124 590565073 /nfs/dbraw/zinc/56/50/73/590565073.db2.gz QOJOSLUEHLRZEX-UHFFFAOYSA-N 1 2 238.295 -1.083 20 0 BAADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCn1cnnn1 ZINC000878463999 590571689 /nfs/dbraw/zinc/57/16/89/590571689.db2.gz MUIGJAYOQRJERK-MRVPVSSYSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCn1cnnn1 ZINC000878463999 590571688 /nfs/dbraw/zinc/57/16/88/590571688.db2.gz MUIGJAYOQRJERK-MRVPVSSYSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCn1cnnn1 ZINC000878464000 590572123 /nfs/dbraw/zinc/57/21/23/590572123.db2.gz MUIGJAYOQRJERK-QMMMGPOBSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCn1cnnn1 ZINC000878464000 590572122 /nfs/dbraw/zinc/57/21/22/590572122.db2.gz MUIGJAYOQRJERK-QMMMGPOBSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCc1nnnn1C ZINC000878464385 590571722 /nfs/dbraw/zinc/57/17/22/590571722.db2.gz WWVLOBSCWUZNTN-MRVPVSSYSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCc1nnnn1C ZINC000878464385 590571721 /nfs/dbraw/zinc/57/17/21/590571721.db2.gz WWVLOBSCWUZNTN-MRVPVSSYSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCc1nnnn1C ZINC000878464386 590571886 /nfs/dbraw/zinc/57/18/86/590571886.db2.gz WWVLOBSCWUZNTN-QMMMGPOBSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@H]1C(=O)N(C)CC[N@H+]1CCc1nnnn1C ZINC000878464386 590571883 /nfs/dbraw/zinc/57/18/83/590571883.db2.gz WWVLOBSCWUZNTN-QMMMGPOBSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCn1cnnn1 ZINC000878482191 590576516 /nfs/dbraw/zinc/57/65/16/590576516.db2.gz MJSVLKZGZRFIEQ-MRVPVSSYSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCn1cnnn1 ZINC000878482191 590576515 /nfs/dbraw/zinc/57/65/15/590576515.db2.gz MJSVLKZGZRFIEQ-MRVPVSSYSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCn1cnnn1 ZINC000878482192 590576757 /nfs/dbraw/zinc/57/67/57/590576757.db2.gz MJSVLKZGZRFIEQ-QMMMGPOBSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCn1cnnn1 ZINC000878482192 590576755 /nfs/dbraw/zinc/57/67/55/590576755.db2.gz MJSVLKZGZRFIEQ-QMMMGPOBSA-N 1 2 224.268 -1.164 20 0 BAADLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCc1nnnn1C ZINC000878482404 590577414 /nfs/dbraw/zinc/57/74/14/590577414.db2.gz QESQGFKQMCBIRU-MRVPVSSYSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCc1nnnn1C ZINC000878482404 590577412 /nfs/dbraw/zinc/57/74/12/590577412.db2.gz QESQGFKQMCBIRU-MRVPVSSYSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@H]1CN(C)C(=O)C[N@H+]1CCc1nnnn1C ZINC000878482405 590577565 /nfs/dbraw/zinc/57/75/65/590577565.db2.gz QESQGFKQMCBIRU-QMMMGPOBSA-N 1 2 238.295 -1.085 20 0 BAADLO C[C@H]1CN(C)C(=O)C[N@@H+]1CCc1nnnn1C ZINC000878482405 590577564 /nfs/dbraw/zinc/57/75/64/590577564.db2.gz QESQGFKQMCBIRU-QMMMGPOBSA-N 1 2 238.295 -1.085 20 0 BAADLO c1nnnn1CC[N@H+]1CCc2n[nH]nc2C1 ZINC000878491961 645817638 /nfs/dbraw/zinc/81/76/38/645817638.db2.gz WZAPYOVSGYYHPG-UHFFFAOYSA-N 1 2 220.240 -1.151 20 0 BAADLO c1nnnn1CC[N@@H+]1CCc2n[nH]nc2C1 ZINC000878491961 645817634 /nfs/dbraw/zinc/81/76/34/645817634.db2.gz WZAPYOVSGYYHPG-UHFFFAOYSA-N 1 2 220.240 -1.151 20 0 BAADLO C[C@@H]1C[N@@H+](CCc2nnnn2C)C[C@@H](CO)O1 ZINC000878495608 590579146 /nfs/dbraw/zinc/57/91/46/590579146.db2.gz JRGBUZVXCGUPDM-BDAKNGLRSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@@H]1C[N@H+](CCc2nnnn2C)C[C@@H](CO)O1 ZINC000878495608 590579144 /nfs/dbraw/zinc/57/91/44/590579144.db2.gz JRGBUZVXCGUPDM-BDAKNGLRSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1C[N@@H+](CCc2nnnn2C)C[C@H](CO)O1 ZINC000878495609 590580004 /nfs/dbraw/zinc/58/00/04/590580004.db2.gz JRGBUZVXCGUPDM-DTWKUNHWSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1C[N@H+](CCc2nnnn2C)C[C@H](CO)O1 ZINC000878495609 590580001 /nfs/dbraw/zinc/58/00/01/590580001.db2.gz JRGBUZVXCGUPDM-DTWKUNHWSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1C[N@@H+](CCc2nnnn2C)C[C@@H](CO)O1 ZINC000878495610 590579654 /nfs/dbraw/zinc/57/96/54/590579654.db2.gz JRGBUZVXCGUPDM-IUCAKERBSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@H]1C[N@H+](CCc2nnnn2C)C[C@@H](CO)O1 ZINC000878495610 590579652 /nfs/dbraw/zinc/57/96/52/590579652.db2.gz JRGBUZVXCGUPDM-IUCAKERBSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@@H]1C[N@@H+](CCc2nnnn2C)C[C@H](CO)O1 ZINC000878495611 590580046 /nfs/dbraw/zinc/58/00/46/590580046.db2.gz JRGBUZVXCGUPDM-RKDXNWHRSA-N 1 2 241.295 -1.166 20 0 BAADLO C[C@@H]1C[N@H+](CCc2nnnn2C)C[C@H](CO)O1 ZINC000878495611 590580044 /nfs/dbraw/zinc/58/00/44/590580044.db2.gz JRGBUZVXCGUPDM-RKDXNWHRSA-N 1 2 241.295 -1.166 20 0 BAADLO CC1(C)CNC(=O)C[N@H+]1CCn1cnnn1 ZINC000878559790 590592226 /nfs/dbraw/zinc/59/22/26/590592226.db2.gz RTGKNFGIVOTNNW-UHFFFAOYSA-N 1 2 224.268 -1.117 20 0 BAADLO CC1(C)CNC(=O)C[N@@H+]1CCn1cnnn1 ZINC000878559790 590592225 /nfs/dbraw/zinc/59/22/25/590592225.db2.gz RTGKNFGIVOTNNW-UHFFFAOYSA-N 1 2 224.268 -1.117 20 0 BAADLO c1nnnn1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000878565990 590592654 /nfs/dbraw/zinc/59/26/54/590592654.db2.gz XTYBMMCZCDHNQD-DTORHVGOSA-N 1 2 225.252 -1.227 20 0 BAADLO c1nnnn1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000878565990 590592652 /nfs/dbraw/zinc/59/26/52/590592652.db2.gz XTYBMMCZCDHNQD-DTORHVGOSA-N 1 2 225.252 -1.227 20 0 BAADLO C[C@@]1([NH2+]CCn2cnnn2)CCOC1=O ZINC000878632053 590598297 /nfs/dbraw/zinc/59/82/97/590598297.db2.gz MNAZZJKNALCMCU-MRVPVSSYSA-N 1 2 211.225 -1.032 20 0 BAADLO C[C@]1([NH2+]CCn2cnnn2)CCOC1=O ZINC000878632054 590598412 /nfs/dbraw/zinc/59/84/12/590598412.db2.gz MNAZZJKNALCMCU-QMMMGPOBSA-N 1 2 211.225 -1.032 20 0 BAADLO COC[C@@H](C(N)=O)[N@@H+](C)CCn1cnnn1 ZINC000878653610 590602436 /nfs/dbraw/zinc/60/24/36/590602436.db2.gz JJKHYMMIGDVBDB-ZETCQYMHSA-N 1 2 228.256 -1.895 20 0 BAADLO COC[C@@H](C(N)=O)[N@H+](C)CCn1cnnn1 ZINC000878653610 590602434 /nfs/dbraw/zinc/60/24/34/590602434.db2.gz JJKHYMMIGDVBDB-ZETCQYMHSA-N 1 2 228.256 -1.895 20 0 BAADLO C[C@@H]1C[N@@H+](CCn2cnnn2)CC(=O)N1 ZINC000878677254 590607738 /nfs/dbraw/zinc/60/77/38/590607738.db2.gz FCPXQAHXLRBSDR-SSDOTTSWSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@@H]1C[N@H+](CCn2cnnn2)CC(=O)N1 ZINC000878677254 590607736 /nfs/dbraw/zinc/60/77/36/590607736.db2.gz FCPXQAHXLRBSDR-SSDOTTSWSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@H]1C[N@@H+](CCn2cnnn2)CC(=O)N1 ZINC000878677255 590607932 /nfs/dbraw/zinc/60/79/32/590607932.db2.gz FCPXQAHXLRBSDR-ZETCQYMHSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@H]1C[N@H+](CCn2cnnn2)CC(=O)N1 ZINC000878677255 590607931 /nfs/dbraw/zinc/60/79/31/590607931.db2.gz FCPXQAHXLRBSDR-ZETCQYMHSA-N 1 2 210.241 -1.507 20 0 BAADLO C[C@@H]1C[N@@H+](CCc2nnnn2C)CC(=O)N1 ZINC000878677310 590607743 /nfs/dbraw/zinc/60/77/43/590607743.db2.gz GRCVQYYXCHVOEN-SSDOTTSWSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@@H]1C[N@H+](CCc2nnnn2C)CC(=O)N1 ZINC000878677310 590607742 /nfs/dbraw/zinc/60/77/42/590607742.db2.gz GRCVQYYXCHVOEN-SSDOTTSWSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@H]1C[N@@H+](CCc2nnnn2C)CC(=O)N1 ZINC000878677311 590607823 /nfs/dbraw/zinc/60/78/23/590607823.db2.gz GRCVQYYXCHVOEN-ZETCQYMHSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@H]1C[N@H+](CCc2nnnn2C)CC(=O)N1 ZINC000878677311 590607822 /nfs/dbraw/zinc/60/78/22/590607822.db2.gz GRCVQYYXCHVOEN-ZETCQYMHSA-N 1 2 224.268 -1.427 20 0 BAADLO C[C@@H](O)[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878715120 590614620 /nfs/dbraw/zinc/61/46/20/590614620.db2.gz FQXBRJYJTMWEKX-BDAKNGLRSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@@H](O)[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878715120 590614618 /nfs/dbraw/zinc/61/46/18/590614618.db2.gz FQXBRJYJTMWEKX-BDAKNGLRSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@H](O)[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878715121 590614341 /nfs/dbraw/zinc/61/43/41/590614341.db2.gz FQXBRJYJTMWEKX-DTWKUNHWSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@H](O)[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878715121 590614340 /nfs/dbraw/zinc/61/43/40/590614340.db2.gz FQXBRJYJTMWEKX-DTWKUNHWSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@H](O)[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878715122 590614184 /nfs/dbraw/zinc/61/41/84/590614184.db2.gz FQXBRJYJTMWEKX-IUCAKERBSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@H](O)[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878715122 590614183 /nfs/dbraw/zinc/61/41/83/590614183.db2.gz FQXBRJYJTMWEKX-IUCAKERBSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@@H](O)[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878715123 590614482 /nfs/dbraw/zinc/61/44/82/590614482.db2.gz FQXBRJYJTMWEKX-RKDXNWHRSA-N 1 2 227.268 -1.245 20 0 BAADLO C[C@@H](O)[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878715123 590614480 /nfs/dbraw/zinc/61/44/80/590614480.db2.gz FQXBRJYJTMWEKX-RKDXNWHRSA-N 1 2 227.268 -1.245 20 0 BAADLO Cn1cc(C[N@@H+](C)CCn2cnnn2)nn1 ZINC000878950535 590659257 /nfs/dbraw/zinc/65/92/57/590659257.db2.gz VNXPETDAZUETLJ-UHFFFAOYSA-N 1 2 222.256 -1.066 20 0 BAADLO Cn1cc(C[N@H+](C)CCn2cnnn2)nn1 ZINC000878950535 590659252 /nfs/dbraw/zinc/65/92/52/590659252.db2.gz VNXPETDAZUETLJ-UHFFFAOYSA-N 1 2 222.256 -1.066 20 0 BAADLO CO[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878969365 590663958 /nfs/dbraw/zinc/66/39/58/590663958.db2.gz SCEUYUIICAVBRQ-MRVPVSSYSA-N 1 2 213.241 -1.022 20 0 BAADLO CO[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878969365 590663955 /nfs/dbraw/zinc/66/39/55/590663955.db2.gz SCEUYUIICAVBRQ-MRVPVSSYSA-N 1 2 213.241 -1.022 20 0 BAADLO CO[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000878969366 590663666 /nfs/dbraw/zinc/66/36/66/590663666.db2.gz SCEUYUIICAVBRQ-QMMMGPOBSA-N 1 2 213.241 -1.022 20 0 BAADLO CO[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000878969366 590663663 /nfs/dbraw/zinc/66/36/63/590663663.db2.gz SCEUYUIICAVBRQ-QMMMGPOBSA-N 1 2 213.241 -1.022 20 0 BAADLO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[N@H+]1C ZINC000878977062 590666555 /nfs/dbraw/zinc/66/65/55/590666555.db2.gz NIVTZJMIHXIIBY-SSDOTTSWSA-N 1 2 224.268 -1.014 20 0 BAADLO C[C@@H]1CN(C(=O)c2nnn(C)n2)CC[N@@H+]1C ZINC000878977062 590666551 /nfs/dbraw/zinc/66/65/51/590666551.db2.gz NIVTZJMIHXIIBY-SSDOTTSWSA-N 1 2 224.268 -1.014 20 0 BAADLO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[N@H+]1C ZINC000878977063 590667113 /nfs/dbraw/zinc/66/71/13/590667113.db2.gz NIVTZJMIHXIIBY-ZETCQYMHSA-N 1 2 224.268 -1.014 20 0 BAADLO C[C@H]1CN(C(=O)c2nnn(C)n2)CC[N@@H+]1C ZINC000878977063 590667111 /nfs/dbraw/zinc/66/71/11/590667111.db2.gz NIVTZJMIHXIIBY-ZETCQYMHSA-N 1 2 224.268 -1.014 20 0 BAADLO COC(=O)C1=NO[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC000879481083 590779830 /nfs/dbraw/zinc/77/98/30/590779830.db2.gz UDQGPYOXNPXXHP-JTQLQIEISA-N 1 2 241.247 -1.135 20 0 BAADLO COC(=O)C1=NO[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC000879481083 590779828 /nfs/dbraw/zinc/77/98/28/590779828.db2.gz UDQGPYOXNPXXHP-JTQLQIEISA-N 1 2 241.247 -1.135 20 0 BAADLO COC(=O)C1=NO[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC000879481084 590779601 /nfs/dbraw/zinc/77/96/01/590779601.db2.gz UDQGPYOXNPXXHP-SNVBAGLBSA-N 1 2 241.247 -1.135 20 0 BAADLO COC(=O)C1=NO[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC000879481084 590779598 /nfs/dbraw/zinc/77/95/98/590779598.db2.gz UDQGPYOXNPXXHP-SNVBAGLBSA-N 1 2 241.247 -1.135 20 0 BAADLO CN1C(=O)[C@H]2C[N@@H+](Cc3cn[nH]n3)C[C@H]2C1=O ZINC000879535153 590797011 /nfs/dbraw/zinc/79/70/11/590797011.db2.gz ICIDTGNBYGJMGD-OCAPTIKFSA-N 1 2 235.247 -1.149 20 0 BAADLO CN1C(=O)[C@H]2C[N@H+](Cc3cn[nH]n3)C[C@H]2C1=O ZINC000879535153 590797008 /nfs/dbraw/zinc/79/70/08/590797008.db2.gz ICIDTGNBYGJMGD-OCAPTIKFSA-N 1 2 235.247 -1.149 20 0 BAADLO CN1C(=O)[C@H]2C[N@@H+](Cc3c[nH]nn3)C[C@H]2C1=O ZINC000879535153 590797005 /nfs/dbraw/zinc/79/70/05/590797005.db2.gz ICIDTGNBYGJMGD-OCAPTIKFSA-N 1 2 235.247 -1.149 20 0 BAADLO CN1C(=O)[C@H]2C[N@H+](Cc3c[nH]nn3)C[C@H]2C1=O ZINC000879535153 590797003 /nfs/dbraw/zinc/79/70/03/590797003.db2.gz ICIDTGNBYGJMGD-OCAPTIKFSA-N 1 2 235.247 -1.149 20 0 BAADLO CN1C(=O)[C@H]2C[N@@H+](Cc3cnn[nH]3)C[C@H]2C1=O ZINC000879535153 590797000 /nfs/dbraw/zinc/79/70/00/590797000.db2.gz ICIDTGNBYGJMGD-OCAPTIKFSA-N 1 2 235.247 -1.149 20 0 BAADLO CN1C(=O)[C@H]2C[N@H+](Cc3cnn[nH]3)C[C@H]2C1=O ZINC000879535153 590796998 /nfs/dbraw/zinc/79/69/98/590796998.db2.gz ICIDTGNBYGJMGD-OCAPTIKFSA-N 1 2 235.247 -1.149 20 0 BAADLO CON(C)C(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610272 590827719 /nfs/dbraw/zinc/82/77/19/590827719.db2.gz OGIWLODTJGITGX-SFYZADRCSA-N 1 2 218.253 -1.566 20 0 BAADLO CON(C)C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610272 590827716 /nfs/dbraw/zinc/82/77/16/590827716.db2.gz OGIWLODTJGITGX-SFYZADRCSA-N 1 2 218.253 -1.566 20 0 BAADLO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)NCC1CC1 ZINC000879610275 590827943 /nfs/dbraw/zinc/82/79/43/590827943.db2.gz OJHUPPAEDIKPSJ-ZJUUUORDSA-N 1 2 228.292 -1.060 20 0 BAADLO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)NCC1CC1 ZINC000879610275 590827938 /nfs/dbraw/zinc/82/79/38/590827938.db2.gz OJHUPPAEDIKPSJ-ZJUUUORDSA-N 1 2 228.292 -1.060 20 0 BAADLO CCN1OC[C@@H]([N@H+]2CC[C@@H](O)[C@@H](O)C2)C1=O ZINC000879610970 590830647 /nfs/dbraw/zinc/83/06/47/590830647.db2.gz XDXYXAJJLQJNPD-HLTSFMKQSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@@H]([N@@H+]2CC[C@@H](O)[C@@H](O)C2)C1=O ZINC000879610970 590830646 /nfs/dbraw/zinc/83/06/46/590830646.db2.gz XDXYXAJJLQJNPD-HLTSFMKQSA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@H+]2CC[C@@H](O)[C@@H](O)C2)C1=O ZINC000879610977 590830013 /nfs/dbraw/zinc/83/00/13/590830013.db2.gz XDXYXAJJLQJNPD-YIZRAAEISA-N 1 2 230.264 -1.424 20 0 BAADLO CCN1OC[C@H]([N@@H+]2CC[C@@H](O)[C@@H](O)C2)C1=O ZINC000879610977 590830009 /nfs/dbraw/zinc/83/00/09/590830009.db2.gz XDXYXAJJLQJNPD-YIZRAAEISA-N 1 2 230.264 -1.424 20 0 BAADLO COC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611650 590830080 /nfs/dbraw/zinc/83/00/80/590830080.db2.gz KKGIOEVYPNEIJZ-PRJMDXOYSA-N 1 2 203.238 -1.025 20 0 BAADLO COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611650 590830078 /nfs/dbraw/zinc/83/00/78/590830078.db2.gz KKGIOEVYPNEIJZ-PRJMDXOYSA-N 1 2 203.238 -1.025 20 0 BAADLO COC(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611651 590829592 /nfs/dbraw/zinc/82/95/92/590829592.db2.gz KKGIOEVYPNEIJZ-RNJXMRFFSA-N 1 2 203.238 -1.025 20 0 BAADLO COC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611651 590829590 /nfs/dbraw/zinc/82/95/90/590829590.db2.gz KKGIOEVYPNEIJZ-RNJXMRFFSA-N 1 2 203.238 -1.025 20 0 BAADLO CCOCCNC(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612403 590831301 /nfs/dbraw/zinc/83/13/01/590831301.db2.gz ZEXNCWSRPUVIMX-ZJUUUORDSA-N 1 2 246.307 -1.433 20 0 BAADLO CCOCCNC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612403 590831297 /nfs/dbraw/zinc/83/12/97/590831297.db2.gz ZEXNCWSRPUVIMX-ZJUUUORDSA-N 1 2 246.307 -1.433 20 0 BAADLO CNC(=O)C[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879722469 590854808 /nfs/dbraw/zinc/85/48/08/590854808.db2.gz NIHXWVOWCKSFOH-PSASIEDQSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879722469 590854805 /nfs/dbraw/zinc/85/48/05/590854805.db2.gz NIHXWVOWCKSFOH-PSASIEDQSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879722470 590854597 /nfs/dbraw/zinc/85/45/97/590854597.db2.gz NIHXWVOWCKSFOH-SCZZXKLOSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879722470 590854594 /nfs/dbraw/zinc/85/45/94/590854594.db2.gz NIHXWVOWCKSFOH-SCZZXKLOSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879722471 590855073 /nfs/dbraw/zinc/85/50/73/590855073.db2.gz NIHXWVOWCKSFOH-WCBMZHEXSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879722471 590855072 /nfs/dbraw/zinc/85/50/72/590855072.db2.gz NIHXWVOWCKSFOH-WCBMZHEXSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879722472 590855495 /nfs/dbraw/zinc/85/54/95/590855495.db2.gz NIHXWVOWCKSFOH-WPRPVWTQSA-N 1 2 241.291 -1.288 20 0 BAADLO CNC(=O)C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879722472 590855494 /nfs/dbraw/zinc/85/54/94/590855494.db2.gz NIHXWVOWCKSFOH-WPRPVWTQSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H](C(=O)N(C)C)[N@@H+](C)CCS(N)(=O)=O ZINC000880080860 590920300 /nfs/dbraw/zinc/92/03/00/590920300.db2.gz GPYJMLLSKOBNRO-SSDOTTSWSA-N 1 2 237.325 -1.317 20 0 BAADLO C[C@H](C(=O)N(C)C)[N@H+](C)CCS(N)(=O)=O ZINC000880080860 590920298 /nfs/dbraw/zinc/92/02/98/590920298.db2.gz GPYJMLLSKOBNRO-SSDOTTSWSA-N 1 2 237.325 -1.317 20 0 BAADLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCS(N)(=O)=O ZINC000880080861 590920177 /nfs/dbraw/zinc/92/01/77/590920177.db2.gz GPYJMLLSKOBNRO-ZETCQYMHSA-N 1 2 237.325 -1.317 20 0 BAADLO C[C@@H](C(=O)N(C)C)[N@H+](C)CCS(N)(=O)=O ZINC000880080861 590920175 /nfs/dbraw/zinc/92/01/75/590920175.db2.gz GPYJMLLSKOBNRO-ZETCQYMHSA-N 1 2 237.325 -1.317 20 0 BAADLO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCS(N)(=O)=O ZINC000880081540 590920323 /nfs/dbraw/zinc/92/03/23/590920323.db2.gz RZRQQBYHOJWKKN-SSDOTTSWSA-N 1 2 249.336 -1.126 20 0 BAADLO C[C@H](C(=O)NC1CC1)[N@H+](C)CCS(N)(=O)=O ZINC000880081540 590920321 /nfs/dbraw/zinc/92/03/21/590920321.db2.gz RZRQQBYHOJWKKN-SSDOTTSWSA-N 1 2 249.336 -1.126 20 0 BAADLO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCS(N)(=O)=O ZINC000880081541 590920116 /nfs/dbraw/zinc/92/01/16/590920116.db2.gz RZRQQBYHOJWKKN-ZETCQYMHSA-N 1 2 249.336 -1.126 20 0 BAADLO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCS(N)(=O)=O ZINC000880081541 590920113 /nfs/dbraw/zinc/92/01/13/590920113.db2.gz RZRQQBYHOJWKKN-ZETCQYMHSA-N 1 2 249.336 -1.126 20 0 BAADLO CN(C(=O)C[N@@H+](C)CCS(N)(=O)=O)C1CC1 ZINC000880082629 590921867 /nfs/dbraw/zinc/92/18/67/590921867.db2.gz LYQKQLGKRZGLQO-UHFFFAOYSA-N 1 2 249.336 -1.173 20 0 BAADLO CN(C(=O)C[N@H+](C)CCS(N)(=O)=O)C1CC1 ZINC000880082629 590921863 /nfs/dbraw/zinc/92/18/63/590921863.db2.gz LYQKQLGKRZGLQO-UHFFFAOYSA-N 1 2 249.336 -1.173 20 0 BAADLO CCN(C)C(=O)C[N@@H+](C)CCS(N)(=O)=O ZINC000880083213 590921283 /nfs/dbraw/zinc/92/12/83/590921283.db2.gz WTBPIPAPRUUWEM-UHFFFAOYSA-N 1 2 237.325 -1.315 20 0 BAADLO CCN(C)C(=O)C[N@H+](C)CCS(N)(=O)=O ZINC000880083213 590921281 /nfs/dbraw/zinc/92/12/81/590921281.db2.gz WTBPIPAPRUUWEM-UHFFFAOYSA-N 1 2 237.325 -1.315 20 0 BAADLO C[N@@H+](CCS(N)(=O)=O)CC1OCCO1 ZINC000880084069 590922118 /nfs/dbraw/zinc/92/21/18/590922118.db2.gz HCBWNDBMEVFNMZ-UHFFFAOYSA-N 1 2 224.282 -1.420 20 0 BAADLO C[N@H+](CCS(N)(=O)=O)CC1OCCO1 ZINC000880084069 590922115 /nfs/dbraw/zinc/92/21/15/590922115.db2.gz HCBWNDBMEVFNMZ-UHFFFAOYSA-N 1 2 224.282 -1.420 20 0 BAADLO COC(C[N@@H+](C)CCS(N)(=O)=O)OC ZINC000880084857 590921512 /nfs/dbraw/zinc/92/15/12/590921512.db2.gz SRROHCJLQPGTQM-UHFFFAOYSA-N 1 2 226.298 -1.174 20 0 BAADLO COC(C[N@H+](C)CCS(N)(=O)=O)OC ZINC000880084857 590921507 /nfs/dbraw/zinc/92/15/07/590921507.db2.gz SRROHCJLQPGTQM-UHFFFAOYSA-N 1 2 226.298 -1.174 20 0 BAADLO CN1CCC[C@@H]([N@@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085033 590922156 /nfs/dbraw/zinc/92/21/56/590922156.db2.gz WVYHKGKZGNOXAD-MRVPVSSYSA-N 1 2 249.336 -1.173 20 0 BAADLO CN1CCC[C@@H]([N@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085033 590922153 /nfs/dbraw/zinc/92/21/53/590922153.db2.gz WVYHKGKZGNOXAD-MRVPVSSYSA-N 1 2 249.336 -1.173 20 0 BAADLO CN1CCC[C@H]([N@@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085034 590922134 /nfs/dbraw/zinc/92/21/34/590922134.db2.gz WVYHKGKZGNOXAD-QMMMGPOBSA-N 1 2 249.336 -1.173 20 0 BAADLO CN1CCC[C@H]([N@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085034 590922132 /nfs/dbraw/zinc/92/21/32/590922132.db2.gz WVYHKGKZGNOXAD-QMMMGPOBSA-N 1 2 249.336 -1.173 20 0 BAADLO CCN1CC[C@@H]([N@@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085957 590922379 /nfs/dbraw/zinc/92/23/79/590922379.db2.gz YNSSVPJWUVMTKO-MRVPVSSYSA-N 1 2 249.336 -1.173 20 0 BAADLO CCN1CC[C@@H]([N@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085957 590922377 /nfs/dbraw/zinc/92/23/77/590922377.db2.gz YNSSVPJWUVMTKO-MRVPVSSYSA-N 1 2 249.336 -1.173 20 0 BAADLO CCN1CC[C@H]([N@@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085958 590921269 /nfs/dbraw/zinc/92/12/69/590921269.db2.gz YNSSVPJWUVMTKO-QMMMGPOBSA-N 1 2 249.336 -1.173 20 0 BAADLO CCN1CC[C@H]([N@H+](C)CCS(N)(=O)=O)C1=O ZINC000880085958 590921267 /nfs/dbraw/zinc/92/12/67/590921267.db2.gz YNSSVPJWUVMTKO-QMMMGPOBSA-N 1 2 249.336 -1.173 20 0 BAADLO CC[C@@H](O)C[NH+](CC(=O)NC)CC(=O)NC ZINC000880151212 590945755 /nfs/dbraw/zinc/94/57/55/590945755.db2.gz AVTSNQHLGNHJTC-MRVPVSSYSA-N 1 2 231.296 -1.449 20 0 BAADLO CC[C@H](O)C[NH+](CC(=O)NC)CC(=O)NC ZINC000880151213 590945573 /nfs/dbraw/zinc/94/55/73/590945573.db2.gz AVTSNQHLGNHJTC-QMMMGPOBSA-N 1 2 231.296 -1.449 20 0 BAADLO CNC(=O)C[NH+](CCC(C)(C)O)CC(=O)NC ZINC000880152005 590946943 /nfs/dbraw/zinc/94/69/43/590946943.db2.gz PFZWGIMHJJWBHB-UHFFFAOYSA-N 1 2 245.323 -1.059 20 0 BAADLO CNC(=O)C[NH+](CC(=O)NC)C[C@@H](O)C1CC1 ZINC000880153052 590947059 /nfs/dbraw/zinc/94/70/59/590947059.db2.gz DBTGFVOOTUBLAZ-SECBINFHSA-N 1 2 243.307 -1.449 20 0 BAADLO CNC(=O)C[NH+](CC(=O)NC)C[C@H](O)C1CC1 ZINC000880153053 590946888 /nfs/dbraw/zinc/94/68/88/590946888.db2.gz DBTGFVOOTUBLAZ-VIFPVBQESA-N 1 2 243.307 -1.449 20 0 BAADLO CCC[C@@H](O)C[NH+](CC(=O)NC)CC(=O)NC ZINC000880153141 590947182 /nfs/dbraw/zinc/94/71/82/590947182.db2.gz HBIZNIFUUFRJKG-SECBINFHSA-N 1 2 245.323 -1.059 20 0 BAADLO CCC[C@H](O)C[NH+](CC(=O)NC)CC(=O)NC ZINC000880153142 590947003 /nfs/dbraw/zinc/94/70/03/590947003.db2.gz HBIZNIFUUFRJKG-VIFPVBQESA-N 1 2 245.323 -1.059 20 0 BAADLO CNC(=O)C[NH+](CC(=O)NC)C[C@@H](O)C(C)C ZINC000880153501 583477956 /nfs/dbraw/zinc/47/79/56/583477956.db2.gz QGRNONQMGZMEKI-SECBINFHSA-N 1 2 245.323 -1.203 20 0 BAADLO CNC(=O)C[NH+](CC(=O)NC)C[C@H](O)C(C)C ZINC000880153502 583477487 /nfs/dbraw/zinc/47/74/87/583477487.db2.gz QGRNONQMGZMEKI-VIFPVBQESA-N 1 2 245.323 -1.203 20 0 BAADLO CNC(=O)NC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880484930 591058826 /nfs/dbraw/zinc/05/88/26/591058826.db2.gz WCICYXBCWDJWFX-SSDOTTSWSA-N 1 2 213.237 -1.325 20 0 BAADLO CNC(=O)NC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880484930 591058823 /nfs/dbraw/zinc/05/88/23/591058823.db2.gz WCICYXBCWDJWFX-SSDOTTSWSA-N 1 2 213.237 -1.325 20 0 BAADLO CNC(=O)NC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880484931 591059537 /nfs/dbraw/zinc/05/95/37/591059537.db2.gz WCICYXBCWDJWFX-ZETCQYMHSA-N 1 2 213.237 -1.325 20 0 BAADLO CNC(=O)NC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880484931 591059533 /nfs/dbraw/zinc/05/95/33/591059533.db2.gz WCICYXBCWDJWFX-ZETCQYMHSA-N 1 2 213.237 -1.325 20 0 BAADLO COC(=O)CNC(=O)C[N@H+]1CC=C[C@@H]1CO ZINC000880485969 591061994 /nfs/dbraw/zinc/06/19/94/591061994.db2.gz NIFSPYLSPXPBGJ-MRVPVSSYSA-N 1 2 228.248 -1.492 20 0 BAADLO COC(=O)CNC(=O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880485969 591061990 /nfs/dbraw/zinc/06/19/90/591061990.db2.gz NIFSPYLSPXPBGJ-MRVPVSSYSA-N 1 2 228.248 -1.492 20 0 BAADLO COC(=O)CNC(=O)C[N@H+]1CC=C[C@H]1CO ZINC000880485970 591060701 /nfs/dbraw/zinc/06/07/01/591060701.db2.gz NIFSPYLSPXPBGJ-QMMMGPOBSA-N 1 2 228.248 -1.492 20 0 BAADLO COC(=O)CNC(=O)C[N@@H+]1CC=C[C@H]1CO ZINC000880485970 591060697 /nfs/dbraw/zinc/06/06/97/591060697.db2.gz NIFSPYLSPXPBGJ-QMMMGPOBSA-N 1 2 228.248 -1.492 20 0 BAADLO COC(=O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880561252 591092584 /nfs/dbraw/zinc/09/25/84/591092584.db2.gz VWDFXXLXIJJCLX-SECBINFHSA-N 1 2 217.221 -1.231 20 0 BAADLO COC(=O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880561252 591092580 /nfs/dbraw/zinc/09/25/80/591092580.db2.gz VWDFXXLXIJJCLX-SECBINFHSA-N 1 2 217.221 -1.231 20 0 BAADLO COC(=O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880561372 591092045 /nfs/dbraw/zinc/09/20/45/591092045.db2.gz VWDFXXLXIJJCLX-VIFPVBQESA-N 1 2 217.221 -1.231 20 0 BAADLO COC(=O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880561372 591092041 /nfs/dbraw/zinc/09/20/41/591092041.db2.gz VWDFXXLXIJJCLX-VIFPVBQESA-N 1 2 217.221 -1.231 20 0 BAADLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000880564761 591094314 /nfs/dbraw/zinc/09/43/14/591094314.db2.gz FHVBGQRYPWBPNO-JTQLQIEISA-N 1 2 240.263 -1.075 20 0 BAADLO COC(=O)[C@]1(O)CC[N@H+](Cc2cnn(C)n2)C1 ZINC000880564761 591094310 /nfs/dbraw/zinc/09/43/10/591094310.db2.gz FHVBGQRYPWBPNO-JTQLQIEISA-N 1 2 240.263 -1.075 20 0 BAADLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000880564772 591095126 /nfs/dbraw/zinc/09/51/26/591095126.db2.gz FHVBGQRYPWBPNO-SNVBAGLBSA-N 1 2 240.263 -1.075 20 0 BAADLO COC(=O)[C@@]1(O)CC[N@H+](Cc2cnn(C)n2)C1 ZINC000880564772 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C[C@@H](CC(N)=O)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913543767 640392727 /nfs/dbraw/zinc/39/27/27/640392727.db2.gz PHISAKLAZLVQKX-IUCAKERBSA-N 1 2 243.307 -1.367 20 0 BAADLO C[C@@H](CC(N)=O)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913543767 640392723 /nfs/dbraw/zinc/39/27/23/640392723.db2.gz PHISAKLAZLVQKX-IUCAKERBSA-N 1 2 243.307 -1.367 20 0 BAADLO C[C@H](CC(N)=O)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913543768 640391988 /nfs/dbraw/zinc/39/19/88/640391988.db2.gz PHISAKLAZLVQKX-RKDXNWHRSA-N 1 2 243.307 -1.367 20 0 BAADLO C[C@H](CC(N)=O)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913543768 640391979 /nfs/dbraw/zinc/39/19/79/640391979.db2.gz PHISAKLAZLVQKX-RKDXNWHRSA-N 1 2 243.307 -1.367 20 0 BAADLO Cn1nncc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913543824 640393647 /nfs/dbraw/zinc/39/36/47/640393647.db2.gz QIYHLQNAZAPDGG-MRVPVSSYSA-N 1 2 239.279 -1.436 20 0 BAADLO Cn1nncc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913543824 640393639 /nfs/dbraw/zinc/39/36/39/640393639.db2.gz 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20 0 BAADLO NC(=O)[C@H]1CSCC[N@H+]1C[C@@H](O)CO ZINC000930142716 646456252 /nfs/dbraw/zinc/45/62/52/646456252.db2.gz LDARQYTXLCNXFR-RNFRBKRXSA-N 1 2 220.294 -1.758 20 0 BAADLO NC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](O)CO ZINC000930142716 646456246 /nfs/dbraw/zinc/45/62/46/646456246.db2.gz LDARQYTXLCNXFR-RNFRBKRXSA-N 1 2 220.294 -1.758 20 0 BAADLO NC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](O)CO ZINC000930142717 646457285 /nfs/dbraw/zinc/45/72/85/646457285.db2.gz LDARQYTXLCNXFR-RQJHMYQMSA-N 1 2 220.294 -1.758 20 0 BAADLO NC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](O)CO ZINC000930142717 646457281 /nfs/dbraw/zinc/45/72/81/646457281.db2.gz LDARQYTXLCNXFR-RQJHMYQMSA-N 1 2 220.294 -1.758 20 0 BAADLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000930143289 646457045 /nfs/dbraw/zinc/45/70/45/646457045.db2.gz OMWGHKKQHYXIJK-BDAKNGLRSA-N 1 2 232.280 -2.135 20 0 BAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930143290 646456816 /nfs/dbraw/zinc/45/68/16/646456816.db2.gz OMWGHKKQHYXIJK-DTWKUNHWSA-N 1 2 232.280 -2.135 20 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1 2 234.321 -1.369 20 0 BAADLO C[C@H](O)[C@@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000930143693 646457841 /nfs/dbraw/zinc/45/78/41/646457841.db2.gz SWDRYKDGFFWVRY-RNJXMRFFSA-N 1 2 234.321 -1.369 20 0 BAADLO C[C@H](O)[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000930143693 646457838 /nfs/dbraw/zinc/45/78/38/646457838.db2.gz SWDRYKDGFFWVRY-RNJXMRFFSA-N 1 2 234.321 -1.369 20 0 BAADLO C[C@H](O)[C@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000930143695 646456719 /nfs/dbraw/zinc/45/67/19/646456719.db2.gz SWDRYKDGFFWVRY-XLPZGREQSA-N 1 2 234.321 -1.369 20 0 BAADLO C[C@H](O)[C@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000930143695 646456714 /nfs/dbraw/zinc/45/67/14/646456714.db2.gz SWDRYKDGFFWVRY-XLPZGREQSA-N 1 2 234.321 -1.369 20 0 BAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930145061 646457766 /nfs/dbraw/zinc/45/77/66/646457766.db2.gz WHAXVEDFFADVIX-GUBZILKMSA-N 1 2 246.307 -1.747 20 0 BAADLO C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000930145068 646457232 /nfs/dbraw/zinc/45/72/32/646457232.db2.gz WHAXVEDFFADVIX-KXUCPTDWSA-N 1 2 246.307 -1.747 20 0 BAADLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930145071 646457401 /nfs/dbraw/zinc/45/74/01/646457401.db2.gz WHAXVEDFFADVIX-LPEHRKFASA-N 1 2 246.307 -1.747 20 0 BAADLO C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000930145073 646457032 /nfs/dbraw/zinc/45/70/32/646457032.db2.gz WHAXVEDFFADVIX-UTLUCORTSA-N 1 2 246.307 -1.747 20 0 BAADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)CO ZINC000930245523 639657492 /nfs/dbraw/zinc/65/74/92/639657492.db2.gz VOWKPJSTUCGDHE-AEJSXWLSSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)CO ZINC000930245523 639657487 /nfs/dbraw/zinc/65/74/87/639657487.db2.gz VOWKPJSTUCGDHE-AEJSXWLSSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)CO ZINC000930245524 639656940 /nfs/dbraw/zinc/65/69/40/639656940.db2.gz VOWKPJSTUCGDHE-BBBLOLIVSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)CO ZINC000930245524 639656935 /nfs/dbraw/zinc/65/69/35/639656935.db2.gz VOWKPJSTUCGDHE-BBBLOLIVSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)CO ZINC000930245525 639656247 /nfs/dbraw/zinc/65/62/47/639656247.db2.gz VOWKPJSTUCGDHE-GUBZILKMSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)CO ZINC000930245525 639656240 /nfs/dbraw/zinc/65/62/40/639656240.db2.gz VOWKPJSTUCGDHE-GUBZILKMSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)CO ZINC000930245526 639655667 /nfs/dbraw/zinc/65/56/67/639655667.db2.gz VOWKPJSTUCGDHE-IVZWLZJFSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)CO ZINC000930245526 639655657 /nfs/dbraw/zinc/65/56/57/639655657.db2.gz VOWKPJSTUCGDHE-IVZWLZJFSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)CO ZINC000930245527 639656449 /nfs/dbraw/zinc/65/64/49/639656449.db2.gz VOWKPJSTUCGDHE-KXUCPTDWSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)CO ZINC000930245527 639656443 /nfs/dbraw/zinc/65/64/43/639656443.db2.gz VOWKPJSTUCGDHE-KXUCPTDWSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)CO ZINC000930245528 639655889 /nfs/dbraw/zinc/65/58/89/639655889.db2.gz VOWKPJSTUCGDHE-LPEHRKFASA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)CO ZINC000930245528 639655884 /nfs/dbraw/zinc/65/58/84/639655884.db2.gz VOWKPJSTUCGDHE-LPEHRKFASA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)CO ZINC000930245529 639657508 /nfs/dbraw/zinc/65/75/08/639657508.db2.gz VOWKPJSTUCGDHE-OPRDCNLKSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)CO ZINC000930245529 639657503 /nfs/dbraw/zinc/65/75/03/639657503.db2.gz VOWKPJSTUCGDHE-OPRDCNLKSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)CO ZINC000930245530 639657384 /nfs/dbraw/zinc/65/73/84/639657384.db2.gz VOWKPJSTUCGDHE-UTLUCORTSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)CO ZINC000930245530 639657377 /nfs/dbraw/zinc/65/73/77/639657377.db2.gz VOWKPJSTUCGDHE-UTLUCORTSA-N 1 2 247.291 -1.008 20 0 BAADLO OC[C@H](O)C[N@H+]1CCOC[C@]12CCOC2 ZINC000930328623 639713079 /nfs/dbraw/zinc/71/30/79/639713079.db2.gz VUVAVKUKYQYKAS-NXEZZACHSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@H](O)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000930328623 639713075 /nfs/dbraw/zinc/71/30/75/639713075.db2.gz VUVAVKUKYQYKAS-NXEZZACHSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@@H](O)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000930328624 639713361 /nfs/dbraw/zinc/71/33/61/639713361.db2.gz VUVAVKUKYQYKAS-UWVGGRQHSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@@H](O)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000930328624 639713355 /nfs/dbraw/zinc/71/33/55/639713355.db2.gz VUVAVKUKYQYKAS-UWVGGRQHSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@@H](O)C[N@H+]1CCOC[C@]12CCOC2 ZINC000930328625 639711581 /nfs/dbraw/zinc/71/15/81/639711581.db2.gz VUVAVKUKYQYKAS-VHSXEESVSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@@H](O)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000930328625 639711572 /nfs/dbraw/zinc/71/15/72/639711572.db2.gz VUVAVKUKYQYKAS-VHSXEESVSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@H](O)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000930328626 639712357 /nfs/dbraw/zinc/71/23/57/639712357.db2.gz VUVAVKUKYQYKAS-ZJUUUORDSA-N 1 2 217.265 -1.169 20 0 BAADLO OC[C@H](O)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000930328626 639712344 /nfs/dbraw/zinc/71/23/44/639712344.db2.gz VUVAVKUKYQYKAS-ZJUUUORDSA-N 1 2 217.265 -1.169 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)[C@H](C)O ZINC000930488364 639777516 /nfs/dbraw/zinc/77/75/16/639777516.db2.gz OXALGVFSBHCNOP-AEJSXWLSSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)[C@H](C)O ZINC000930488364 639777510 /nfs/dbraw/zinc/77/75/10/639777510.db2.gz OXALGVFSBHCNOP-AEJSXWLSSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)[C@@H](C)O ZINC000930488366 639779424 /nfs/dbraw/zinc/77/94/24/639779424.db2.gz OXALGVFSBHCNOP-BBBLOLIVSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)[C@@H](C)O ZINC000930488366 639779417 /nfs/dbraw/zinc/77/94/17/639779417.db2.gz OXALGVFSBHCNOP-BBBLOLIVSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)[C@H](C)O ZINC000930488367 639778111 /nfs/dbraw/zinc/77/81/11/639778111.db2.gz OXALGVFSBHCNOP-IVZWLZJFSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)[C@H](C)O ZINC000930488367 639778100 /nfs/dbraw/zinc/77/81/00/639778100.db2.gz OXALGVFSBHCNOP-IVZWLZJFSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)[C@@H](C)O ZINC000930488369 639777719 /nfs/dbraw/zinc/77/77/19/639777719.db2.gz OXALGVFSBHCNOP-OPRDCNLKSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)[C@@H](C)O ZINC000930488369 639777713 /nfs/dbraw/zinc/77/77/13/639777713.db2.gz OXALGVFSBHCNOP-OPRDCNLKSA-N 1 2 247.291 -1.008 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)CO ZINC000930489634 639778316 /nfs/dbraw/zinc/77/83/16/639778316.db2.gz YSSJYPLKGFGMBW-BDAKNGLRSA-N 1 2 233.264 -1.397 20 0 BAADLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)CO ZINC000930489634 639778301 /nfs/dbraw/zinc/77/83/01/639778301.db2.gz YSSJYPLKGFGMBW-BDAKNGLRSA-N 1 2 233.264 -1.397 20 0 BAADLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)CO ZINC000930489635 639779612 /nfs/dbraw/zinc/77/96/12/639779612.db2.gz YSSJYPLKGFGMBW-IUCAKERBSA-N 1 2 233.264 -1.397 20 0 BAADLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)CO ZINC000930489635 639779606 /nfs/dbraw/zinc/77/96/06/639779606.db2.gz YSSJYPLKGFGMBW-IUCAKERBSA-N 1 2 233.264 -1.397 20 0 BAADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1COCCO1 ZINC000930575418 633904806 /nfs/dbraw/zinc/90/48/06/633904806.db2.gz KTRHVJQGDOSNRU-BDAKNGLRSA-N 1 2 232.280 -1.166 20 0 BAADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1COCCO1 ZINC000930575418 633904802 /nfs/dbraw/zinc/90/48/02/633904802.db2.gz KTRHVJQGDOSNRU-BDAKNGLRSA-N 1 2 232.280 -1.166 20 0 BAADLO COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1COCCO1 ZINC000930575419 633904316 /nfs/dbraw/zinc/90/43/16/633904316.db2.gz KTRHVJQGDOSNRU-IUCAKERBSA-N 1 2 232.280 -1.166 20 0 BAADLO COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1COCCO1 ZINC000930575419 633904313 /nfs/dbraw/zinc/90/43/13/633904313.db2.gz KTRHVJQGDOSNRU-IUCAKERBSA-N 1 2 232.280 -1.166 20 0 BAADLO NC(=O)NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623301 639828884 /nfs/dbraw/zinc/82/88/84/639828884.db2.gz QVVOUZMGMYIJHS-MRVPVSSYSA-N 1 2 237.206 -1.117 20 0 BAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623301 639828878 /nfs/dbraw/zinc/82/88/78/639828878.db2.gz QVVOUZMGMYIJHS-MRVPVSSYSA-N 1 2 237.206 -1.117 20 0 BAADLO NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623302 639829311 /nfs/dbraw/zinc/82/93/11/639829311.db2.gz QVVOUZMGMYIJHS-QMMMGPOBSA-N 1 2 237.206 -1.117 20 0 BAADLO NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623302 639829310 /nfs/dbraw/zinc/82/93/10/639829310.db2.gz QVVOUZMGMYIJHS-QMMMGPOBSA-N 1 2 237.206 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/nfs/dbraw/zinc/18/30/04/643183004.db2.gz UIUHWXQFCMZWAC-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(N[C@H]1CC[N@@H+](CCO)C1)c1nc[nH]n1 ZINC001015871838 643183000 /nfs/dbraw/zinc/18/30/00/643183000.db2.gz UIUHWXQFCMZWAC-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(N[C@@H]1CC[N@H+](CCCO)C1)c1nc[nH]n1 ZINC001015871887 642933617 /nfs/dbraw/zinc/93/36/17/642933617.db2.gz VGGNTRAYBBIGDD-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@@H]1CC[N@@H+](CCCO)C1)c1nc[nH]n1 ZINC001015871887 642933612 /nfs/dbraw/zinc/93/36/12/642933612.db2.gz VGGNTRAYBBIGDD-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CC[N@H+](CCCO)C1)c1nc[nH]n1 ZINC001015871888 642938021 /nfs/dbraw/zinc/93/80/21/642938021.db2.gz VGGNTRAYBBIGDD-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(N[C@H]1CC[N@@H+](CCCO)C1)c1nc[nH]n1 ZINC001015871888 642938013 /nfs/dbraw/zinc/93/80/13/642938013.db2.gz VGGNTRAYBBIGDD-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018375911 710665634 /nfs/dbraw/zinc/66/56/34/710665634.db2.gz OJQJCMVIYNVLEA-QMMMGPOBSA-N 1 2 239.279 -1.181 20 0 BAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019313270 643027291 /nfs/dbraw/zinc/02/72/91/643027291.db2.gz LUSCUQRAQJLDMM-QMMMGPOBSA-N 1 2 238.247 -1.150 20 0 BAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019313460 643028972 /nfs/dbraw/zinc/02/89/72/643028972.db2.gz VNEKODHTTLUZAZ-QMMMGPOBSA-N 1 2 249.274 -1.348 20 0 BAADLO NC(=O)C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019314621 643028473 /nfs/dbraw/zinc/02/84/73/643028473.db2.gz VTYISDUEYSWLEA-LURJTMIESA-N 1 2 239.235 -1.755 20 0 BAADLO CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001019903636 643043232 /nfs/dbraw/zinc/04/32/32/643043232.db2.gz JWLOALTYJKKAQY-ZKCHVHJHSA-N 1 2 224.268 -1.033 20 0 BAADLO CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001021748116 641188861 /nfs/dbraw/zinc/18/88/61/641188861.db2.gz JWLOALTYJKKAQY-OCAPTIKFSA-N 1 2 224.268 -1.033 20 0 BAADLO O=C(NC[C@H]1CCC[N@@H+]1CCO)c1nc[nH]n1 ZINC001028212041 635479543 /nfs/dbraw/zinc/47/95/43/635479543.db2.gz AZJGAIQIAWIBIG-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CCC[N@H+]1CCO)c1nc[nH]n1 ZINC001028212041 635479537 /nfs/dbraw/zinc/47/95/37/635479537.db2.gz AZJGAIQIAWIBIG-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CCC[N@@H+]1CCO)c1nc[nH]n1 ZINC001028212042 635479975 /nfs/dbraw/zinc/47/99/75/635479975.db2.gz AZJGAIQIAWIBIG-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CCC[N@H+]1CCO)c1nc[nH]n1 ZINC001028212042 635479968 /nfs/dbraw/zinc/47/99/68/635479968.db2.gz AZJGAIQIAWIBIG-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)c1ccc(=O)[nH]n1 ZINC001030078723 640581161 /nfs/dbraw/zinc/58/11/61/640581161.db2.gz CTPMDEVDWYXGLR-UHFFFAOYSA-N 1 2 238.247 -1.412 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)C1=COCCO1 ZINC001030081487 640581733 /nfs/dbraw/zinc/58/17/33/640581733.db2.gz KUHHNCLNVRYVSS-UHFFFAOYSA-N 1 2 228.248 -1.333 20 0 BAADLO O=C(Cn1cnnn1)NC1C[NH+](CCCO)C1 ZINC001030086471 640584066 /nfs/dbraw/zinc/58/40/66/640584066.db2.gz YZWYCLSPAVMOEJ-UHFFFAOYSA-N 1 2 240.267 -2.144 20 0 BAADLO COCC[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030089356 640585074 /nfs/dbraw/zinc/58/50/74/640585074.db2.gz YJVSOZUSAPOVDB-UHFFFAOYSA-N 1 2 240.267 -1.880 20 0 BAADLO O=C(CN1CCCC1=O)NC1C[NH+](CCO)C1 ZINC001030090556 640587350 /nfs/dbraw/zinc/58/73/50/640587350.db2.gz UZJKYXFVEKNXNU-UHFFFAOYSA-N 1 2 241.291 -1.599 20 0 BAADLO O=C(Cn1cnnn1)NC1C[NH+](CCCF)C1 ZINC001030091392 640587428 /nfs/dbraw/zinc/58/74/28/640587428.db2.gz YZDAVNNWOCLRRL-UHFFFAOYSA-N 1 2 242.258 -1.167 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030091402 640586244 /nfs/dbraw/zinc/58/62/44/640586244.db2.gz ZGLLPLLNAYBPTP-SSDOTTSWSA-N 1 2 240.267 -2.146 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2cnnn2)C1 ZINC001030091406 640586837 /nfs/dbraw/zinc/58/68/37/640586837.db2.gz ZGLLPLLNAYBPTP-ZETCQYMHSA-N 1 2 240.267 -2.146 20 0 BAADLO O=C(Cn1cccn1)NC1C[NH+](CCO)C1 ZINC001030106341 640597315 /nfs/dbraw/zinc/59/73/15/640597315.db2.gz BOJFHBIESYVKCC-UHFFFAOYSA-N 1 2 224.264 -1.324 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1COCCO1 ZINC001030116475 640607609 /nfs/dbraw/zinc/60/76/09/640607609.db2.gz HLHZDLGJZBFVBL-JTQLQIEISA-N 1 2 244.291 -1.415 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1COCCO1 ZINC001030116476 640607078 /nfs/dbraw/zinc/60/70/78/640607078.db2.gz HLHZDLGJZBFVBL-SNVBAGLBSA-N 1 2 244.291 -1.415 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC001030116960 640610482 /nfs/dbraw/zinc/61/04/82/640610482.db2.gz PGJAEWLNCNDWQI-JTQLQIEISA-N 1 2 244.291 -1.151 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@H]2COCCO2)C1 ZINC001030116961 640609407 /nfs/dbraw/zinc/60/94/07/640609407.db2.gz PGJAEWLNCNDWQI-SNVBAGLBSA-N 1 2 244.291 -1.151 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2COCCO2)C1 ZINC001030121837 640613070 /nfs/dbraw/zinc/61/30/70/640613070.db2.gz YPNQBYZGVCOGMP-PSASIEDQSA-N 1 2 244.291 -1.417 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC001030121838 640614063 /nfs/dbraw/zinc/61/40/63/640614063.db2.gz YPNQBYZGVCOGMP-SCZZXKLOSA-N 1 2 244.291 -1.417 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2COCCO2)C1 ZINC001030121839 640613397 /nfs/dbraw/zinc/61/33/97/640613397.db2.gz YPNQBYZGVCOGMP-WCBMZHEXSA-N 1 2 244.291 -1.417 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC001030121840 640613079 /nfs/dbraw/zinc/61/30/79/640613079.db2.gz YPNQBYZGVCOGMP-WPRPVWTQSA-N 1 2 244.291 -1.417 20 0 BAADLO Cc1cnn(CC(=O)NC2C[NH+](CCO)C2)c1 ZINC001030136695 640626248 /nfs/dbraw/zinc/62/62/48/640626248.db2.gz RNCLVZQCCIGHCR-UHFFFAOYSA-N 1 2 238.291 -1.016 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCOC1 ZINC001030143179 640629204 /nfs/dbraw/zinc/62/92/04/640629204.db2.gz XLPOTXASMPUAQW-MRVPVSSYSA-N 1 2 214.265 -1.184 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCOC1 ZINC001030143180 640628603 /nfs/dbraw/zinc/62/86/03/640628603.db2.gz XLPOTXASMPUAQW-QMMMGPOBSA-N 1 2 214.265 -1.184 20 0 BAADLO Cn1cc(CC(=O)NC2C[NH+](CCO)C2)cn1 ZINC001030147610 640634090 /nfs/dbraw/zinc/63/40/90/640634090.db2.gz INDPCUSHJUSQSK-UHFFFAOYSA-N 1 2 238.291 -1.245 20 0 BAADLO COC(=O)[C@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030152301 640637721 /nfs/dbraw/zinc/63/77/21/640637721.db2.gz SISDXVXBKLSCMH-BDAKNGLRSA-N 1 2 242.275 -1.412 20 0 BAADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030152302 640637253 /nfs/dbraw/zinc/63/72/53/640637253.db2.gz SISDXVXBKLSCMH-DTWKUNHWSA-N 1 2 242.275 -1.412 20 0 BAADLO COC(=O)[C@H]1C[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030152303 711827246 /nfs/dbraw/zinc/82/72/46/711827246.db2.gz SISDXVXBKLSCMH-IUCAKERBSA-N 1 2 242.275 -1.412 20 0 BAADLO COC(=O)[C@@H]1C[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030152304 711827117 /nfs/dbraw/zinc/82/71/17/711827117.db2.gz SISDXVXBKLSCMH-RKDXNWHRSA-N 1 2 242.275 -1.412 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC(=O)N1 ZINC001030155803 640638310 /nfs/dbraw/zinc/63/83/10/640638310.db2.gz AKMGRWBWFYLPNN-SECBINFHSA-N 1 2 241.291 -1.552 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC(=O)N1 ZINC001030156414 640640123 /nfs/dbraw/zinc/64/01/23/640640123.db2.gz HMLUCNMJILFLPT-MRVPVSSYSA-N 1 2 227.264 -1.942 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030156436 640640545 /nfs/dbraw/zinc/64/05/45/640640545.db2.gz HUARRWUUGBWZPC-SECBINFHSA-N 1 2 241.291 -1.288 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030156631 640640164 /nfs/dbraw/zinc/64/01/64/640640164.db2.gz KKKIWZDOMTYCOH-IONNQARKSA-N 1 2 241.291 -1.554 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001030156633 640641416 /nfs/dbraw/zinc/64/14/16/640641416.db2.gz KKKIWZDOMTYCOH-VXNVDRBHSA-N 1 2 241.291 -1.554 20 0 BAADLO O=C(Cc1cc[nH]n1)NC1C[NH+](CCO)C1 ZINC001030177317 640661745 /nfs/dbraw/zinc/66/17/45/640661745.db2.gz WHAHOABMDLSZRU-UHFFFAOYSA-N 1 2 224.264 -1.255 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCNC(=O)C1 ZINC001030207419 640683036 /nfs/dbraw/zinc/68/30/36/640683036.db2.gz AKJKAFATHDZVQQ-MRVPVSSYSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCNC(=O)C1 ZINC001030207421 640683103 /nfs/dbraw/zinc/68/31/03/640683103.db2.gz AKJKAFATHDZVQQ-QMMMGPOBSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(C[C@H]1COC(=O)C1)NC1C[NH+](CCO)C1 ZINC001030219845 640690435 /nfs/dbraw/zinc/69/04/35/640690435.db2.gz MIWLRMDLJIAURU-MRVPVSSYSA-N 1 2 242.275 -1.268 20 0 BAADLO O=C(C[C@@H]1COC(=O)C1)NC1C[NH+](CCO)C1 ZINC001030219848 640690665 /nfs/dbraw/zinc/69/06/65/640690665.db2.gz MIWLRMDLJIAURU-QMMMGPOBSA-N 1 2 242.275 -1.268 20 0 BAADLO O=C(CN1CCOCC1)NC1C[NH+](CCO)C1 ZINC001030228518 640697102 /nfs/dbraw/zinc/69/71/02/640697102.db2.gz FKQODFBHIALBNA-UHFFFAOYSA-N 1 2 243.307 -1.889 20 0 BAADLO CN1CCOC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030233938 640699366 /nfs/dbraw/zinc/69/93/66/640699366.db2.gz QFKKAFKAPNYJHV-JTQLQIEISA-N 1 2 243.307 -1.890 20 0 BAADLO CN1CCOC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030233940 640700347 /nfs/dbraw/zinc/70/03/47/640700347.db2.gz QFKKAFKAPNYJHV-SNVBAGLBSA-N 1 2 243.307 -1.890 20 0 BAADLO O=C(CC1OCCCO1)NC1C[NH+](CCO)C1 ZINC001030250930 640708894 /nfs/dbraw/zinc/70/88/94/640708894.db2.gz GIXUATQQECYQKJ-UHFFFAOYSA-N 1 2 244.291 -1.068 20 0 BAADLO Cn1oc(C(=O)NC2C[NH+](CCO)C2)cc1=O ZINC001030253917 640710096 /nfs/dbraw/zinc/71/00/96/640710096.db2.gz ZDCAQXHVTMIOGL-UHFFFAOYSA-N 1 2 241.247 -1.615 20 0 BAADLO CC(=O)N1CC(C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030255086 711829505 /nfs/dbraw/zinc/82/95/05/711829505.db2.gz RGIXGBQGPXIJSP-UHFFFAOYSA-N 1 2 241.291 -1.743 20 0 BAADLO O=C(Cc1cncnc1)NC1C[NH+](CCO)C1 ZINC001030260864 640713171 /nfs/dbraw/zinc/71/31/71/640713171.db2.gz PBVZQRUNXFEYCV-UHFFFAOYSA-N 1 2 236.275 -1.188 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030262623 640713493 /nfs/dbraw/zinc/71/34/93/640713493.db2.gz VJYVRGYBMCCGRL-MRVPVSSYSA-N 1 2 243.263 -1.458 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030262624 640713321 /nfs/dbraw/zinc/71/33/21/640713321.db2.gz VJYVRGYBMCCGRL-QMMMGPOBSA-N 1 2 243.263 -1.458 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1COC(=O)N1 ZINC001030268082 640721130 /nfs/dbraw/zinc/72/11/30/640721130.db2.gz UYARISWRJRWYPV-SSDOTTSWSA-N 1 2 229.236 -2.113 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1COC(=O)N1 ZINC001030268083 640720123 /nfs/dbraw/zinc/72/01/23/640720123.db2.gz UYARISWRJRWYPV-ZETCQYMHSA-N 1 2 229.236 -2.113 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1COC(=O)N1 ZINC001030268090 640720209 /nfs/dbraw/zinc/72/02/09/640720209.db2.gz VCVQDVDFVZBFIA-MRVPVSSYSA-N 1 2 243.263 -1.722 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1COC(=O)N1 ZINC001030268091 640721071 /nfs/dbraw/zinc/72/10/71/640721071.db2.gz VCVQDVDFVZBFIA-QMMMGPOBSA-N 1 2 243.263 -1.722 20 0 BAADLO Cn1nncc1C(=O)NC1C[NH+](CCCO)C1 ZINC001030268221 640720420 /nfs/dbraw/zinc/72/04/20/640720420.db2.gz AQCVLCZTSBPPOH-UHFFFAOYSA-N 1 2 239.279 -1.389 20 0 BAADLO CC[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030268414 640720939 /nfs/dbraw/zinc/72/09/39/640720939.db2.gz YDXALBSEEIVNPN-SSDOTTSWSA-N 1 2 213.237 -1.085 20 0 BAADLO CC[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030268415 640720480 /nfs/dbraw/zinc/72/04/80/640720480.db2.gz YDXALBSEEIVNPN-ZETCQYMHSA-N 1 2 213.237 -1.085 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030268454 640719902 /nfs/dbraw/zinc/71/99/02/640719902.db2.gz ZUVZLKPSFMYBQL-HTRCEHHLSA-N 1 2 243.263 -1.724 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001030268455 640720827 /nfs/dbraw/zinc/72/08/27/640720827.db2.gz ZUVZLKPSFMYBQL-POYBYMJQSA-N 1 2 243.263 -1.724 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030268456 640721140 /nfs/dbraw/zinc/72/11/40/640721140.db2.gz ZUVZLKPSFMYBQL-SVRRBLITSA-N 1 2 243.263 -1.724 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001030268457 640720109 /nfs/dbraw/zinc/72/01/09/640720109.db2.gz ZUVZLKPSFMYBQL-XPUUQOCRSA-N 1 2 243.263 -1.724 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cnnn2C)C1 ZINC001030270484 640723386 /nfs/dbraw/zinc/72/33/86/640723386.db2.gz YBQNKYWXJLQYDI-SSDOTTSWSA-N 1 2 239.279 -1.390 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cnnn2C)C1 ZINC001030270485 640722426 /nfs/dbraw/zinc/72/24/26/640722426.db2.gz YBQNKYWXJLQYDI-ZETCQYMHSA-N 1 2 239.279 -1.390 20 0 BAADLO Cn1cnc(C(=O)NC2C[NH+](CCCO)C2)n1 ZINC001030272884 640722444 /nfs/dbraw/zinc/72/24/44/640722444.db2.gz KLOJYEFWXMRIEI-UHFFFAOYSA-N 1 2 239.279 -1.389 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2cn(C)nn2)C1 ZINC001030276544 640725354 /nfs/dbraw/zinc/72/53/54/640725354.db2.gz MLFYGHFKDNWHGP-SSDOTTSWSA-N 1 2 239.279 -1.390 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2cn(C)nn2)C1 ZINC001030276545 640724589 /nfs/dbraw/zinc/72/45/89/640724589.db2.gz MLFYGHFKDNWHGP-ZETCQYMHSA-N 1 2 239.279 -1.390 20 0 BAADLO Cn1cc(C(=O)NC2C[NH+](CCCO)C2)nn1 ZINC001030276547 640725847 /nfs/dbraw/zinc/72/58/47/640725847.db2.gz MOXBKLPOTAEFQP-UHFFFAOYSA-N 1 2 239.279 -1.389 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)c2ncn(C)n2)C1 ZINC001030278553 640726549 /nfs/dbraw/zinc/72/65/49/640726549.db2.gz NPXXJMJMICERIN-SSDOTTSWSA-N 1 2 239.279 -1.390 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)c2ncn(C)n2)C1 ZINC001030278554 640726890 /nfs/dbraw/zinc/72/68/90/640726890.db2.gz NPXXJMJMICERIN-ZETCQYMHSA-N 1 2 239.279 -1.390 20 0 BAADLO Cc1nnc(CC(=O)NC2C[NH+](CCO)C2)[nH]1 ZINC001030293202 711830403 /nfs/dbraw/zinc/83/04/03/711830403.db2.gz IAUBLONLFCKCHH-UHFFFAOYSA-N 1 2 239.279 -1.552 20 0 BAADLO Cn1ccc(CC(=O)NC2C[NH+](CCO)C2)n1 ZINC001030294536 640737219 /nfs/dbraw/zinc/73/72/19/640737219.db2.gz KIRNBRDBHIWQCK-UHFFFAOYSA-N 1 2 238.291 -1.245 20 0 BAADLO O=C(Cn1ncnn1)NC1C[NH+](CCCF)C1 ZINC001030314914 640750340 /nfs/dbraw/zinc/75/03/40/640750340.db2.gz BBLCGTPFVNYBMD-UHFFFAOYSA-N 1 2 242.258 -1.167 20 0 BAADLO O=C(Cn1ncnn1)NC1C[NH+](CCO)C1 ZINC001030319206 640756471 /nfs/dbraw/zinc/75/64/71/640756471.db2.gz DXIAVJKAVRPAGE-UHFFFAOYSA-N 1 2 226.240 -2.534 20 0 BAADLO COCC[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319649 640755961 /nfs/dbraw/zinc/75/59/61/640755961.db2.gz NJWCSTHTLDBMJM-UHFFFAOYSA-N 1 2 240.267 -1.880 20 0 BAADLO O=C(Cn1ncnn1)NC1C[NH+](CCCO)C1 ZINC001030319683 640756278 /nfs/dbraw/zinc/75/62/78/640756278.db2.gz PCALEEPKFQZROW-UHFFFAOYSA-N 1 2 240.267 -2.144 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319793 640756836 /nfs/dbraw/zinc/75/68/36/640756836.db2.gz VCFNNNJDUPFAQS-SSDOTTSWSA-N 1 2 240.267 -2.146 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2ncnn2)C1 ZINC001030319794 640756507 /nfs/dbraw/zinc/75/65/07/640756507.db2.gz VCFNNNJDUPFAQS-ZETCQYMHSA-N 1 2 240.267 -2.146 20 0 BAADLO O=C(Cn1nccn1)NC1C[NH+](CCO)C1 ZINC001030373965 640802221 /nfs/dbraw/zinc/80/22/21/640802221.db2.gz NDCVFIGXBBTSHT-UHFFFAOYSA-N 1 2 225.252 -1.929 20 0 BAADLO COCC[NH+]1CC(NC(=O)Cn2nccn2)C1 ZINC001030374005 640802857 /nfs/dbraw/zinc/80/28/57/640802857.db2.gz OSKPHGYIDNVCCA-UHFFFAOYSA-N 1 2 239.279 -1.275 20 0 BAADLO O=C(Cn1nccn1)NC1C[NH+](CCCO)C1 ZINC001030374112 640804074 /nfs/dbraw/zinc/80/40/74/640804074.db2.gz UJCCFKJAKJHCGH-UHFFFAOYSA-N 1 2 239.279 -1.539 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)Cn2nccn2)C1 ZINC001030375302 640803926 /nfs/dbraw/zinc/80/39/26/640803926.db2.gz LKGRLGWOTDSQIN-MRVPVSSYSA-N 1 2 239.279 -1.541 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)Cn2nccn2)C1 ZINC001030375303 640803559 /nfs/dbraw/zinc/80/35/59/640803559.db2.gz LKGRLGWOTDSQIN-QMMMGPOBSA-N 1 2 239.279 -1.541 20 0 BAADLO O=C(C[C@H]1CCNC1=O)NC1C[NH+](CCO)C1 ZINC001030435767 711833397 /nfs/dbraw/zinc/83/33/97/711833397.db2.gz TVJDGWBPMFASAP-MRVPVSSYSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(C[C@@H]1CCNC1=O)NC1C[NH+](CCO)C1 ZINC001030435768 711833453 /nfs/dbraw/zinc/83/34/53/711833453.db2.gz TVJDGWBPMFASAP-QMMMGPOBSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCCNC1=O ZINC001030479437 711834756 /nfs/dbraw/zinc/83/47/56/711834756.db2.gz LLEWZSZZWRABIX-SECBINFHSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCCNC1=O ZINC001030479438 711834829 /nfs/dbraw/zinc/83/48/29/711834829.db2.gz LLEWZSZZWRABIX-VIFPVBQESA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)c1cn[nH]c(=O)c1 ZINC001030485494 640876860 /nfs/dbraw/zinc/87/68/60/640876860.db2.gz DVZAXZQARJYDEL-UHFFFAOYSA-N 1 2 238.247 -1.412 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCCC(=O)N1 ZINC001030489099 640877090 /nfs/dbraw/zinc/87/70/90/640877090.db2.gz DILSACGSFFQVOR-SECBINFHSA-N 1 2 241.291 -1.552 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)c1cnc[nH]c1=O ZINC001030496799 640883184 /nfs/dbraw/zinc/88/31/84/640883184.db2.gz VMJDXYMXCYRJIZ-UHFFFAOYSA-N 1 2 238.247 -1.412 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCC(=O)NC1 ZINC001030592222 640940876 /nfs/dbraw/zinc/94/08/76/640940876.db2.gz UIMBEPMDMUFLOG-MRVPVSSYSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCC(=O)NC1 ZINC001030592223 640941608 /nfs/dbraw/zinc/94/16/08/640941608.db2.gz UIMBEPMDMUFLOG-QMMMGPOBSA-N 1 2 241.291 -1.695 20 0 BAADLO Cc1nn[nH]c1C(=O)NC1C[NH+](CCCO)C1 ZINC001030775364 641346884 /nfs/dbraw/zinc/34/68/84/641346884.db2.gz KVAIRVHHSDTWBI-UHFFFAOYSA-N 1 2 239.279 -1.090 20 0 BAADLO Cc1nn[nH]c1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030777144 641347998 /nfs/dbraw/zinc/34/79/98/641347998.db2.gz LVIQYDUXOGKDJC-LURJTMIESA-N 1 2 239.279 -1.092 20 0 BAADLO Cc1nn[nH]c1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030777145 641347384 /nfs/dbraw/zinc/34/73/84/641347384.db2.gz LVIQYDUXOGKDJC-ZCFIWIBFSA-N 1 2 239.279 -1.092 20 0 BAADLO CN1C[C@H](C(=O)NC2C[NH+](CCO)C2)NC1=O ZINC001030790196 641351695 /nfs/dbraw/zinc/35/16/95/641351695.db2.gz CEXJLTJESCCONG-MRVPVSSYSA-N 1 2 242.279 -2.197 20 0 BAADLO CN1C[C@@H](C(=O)NC2C[NH+](CCO)C2)NC1=O ZINC001030790200 641350734 /nfs/dbraw/zinc/35/07/34/641350734.db2.gz CEXJLTJESCCONG-QMMMGPOBSA-N 1 2 242.279 -2.197 20 0 BAADLO CC[NH+]1CC(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001030790609 641353000 /nfs/dbraw/zinc/35/30/00/641353000.db2.gz HSDPOKKLQYFLCC-MRVPVSSYSA-N 1 2 226.280 -1.170 20 0 BAADLO CC[NH+]1CC(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001030790621 641353342 /nfs/dbraw/zinc/35/33/42/641353342.db2.gz HSDPOKKLQYFLCC-QMMMGPOBSA-N 1 2 226.280 -1.170 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030791114 641354188 /nfs/dbraw/zinc/35/41/88/641354188.db2.gz PFVGSCVSOPMVPN-SECBINFHSA-N 1 2 241.291 -1.431 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030791115 641353082 /nfs/dbraw/zinc/35/30/82/641353082.db2.gz PFVGSCVSOPMVPN-VIFPVBQESA-N 1 2 241.291 -1.431 20 0 BAADLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030791162 641353091 /nfs/dbraw/zinc/35/30/91/641353091.db2.gz ABQDYMXGGBSLKL-BDAKNGLRSA-N 1 2 241.291 -1.709 20 0 BAADLO NC(=O)[C@H]1CC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030791163 641354181 /nfs/dbraw/zinc/35/41/81/641354181.db2.gz ABQDYMXGGBSLKL-DTWKUNHWSA-N 1 2 241.291 -1.709 20 0 BAADLO NC(=O)[C@H]1CC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030791165 641353524 /nfs/dbraw/zinc/35/35/24/641353524.db2.gz ABQDYMXGGBSLKL-IUCAKERBSA-N 1 2 241.291 -1.709 20 0 BAADLO NC(=O)[C@@H]1CC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030791166 641352991 /nfs/dbraw/zinc/35/29/91/641352991.db2.gz ABQDYMXGGBSLKL-RKDXNWHRSA-N 1 2 241.291 -1.709 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030791595 641353918 /nfs/dbraw/zinc/35/39/18/641353918.db2.gz XDIHNEVAVZEVGD-APPZFPTMSA-N 1 2 241.291 -1.696 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001030791596 641354168 /nfs/dbraw/zinc/35/41/68/641354168.db2.gz XDIHNEVAVZEVGD-CBAPKCEASA-N 1 2 241.291 -1.696 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030791597 641353307 /nfs/dbraw/zinc/35/33/07/641353307.db2.gz XDIHNEVAVZEVGD-IONNQARKSA-N 1 2 241.291 -1.696 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001030791598 641353697 /nfs/dbraw/zinc/35/36/97/641353697.db2.gz XDIHNEVAVZEVGD-VXNVDRBHSA-N 1 2 241.291 -1.696 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCNC1=O ZINC001030792176 641353193 /nfs/dbraw/zinc/35/31/93/641353193.db2.gz IXYOQFUGVIZWAY-SECBINFHSA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CCNC1=O ZINC001030792177 641354233 /nfs/dbraw/zinc/35/42/33/641354233.db2.gz IXYOQFUGVIZWAY-VIFPVBQESA-N 1 2 241.291 -1.695 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CCNC1=O ZINC001030793801 641355471 /nfs/dbraw/zinc/35/54/71/641355471.db2.gz ZECNHAHSXVBZBE-MRVPVSSYSA-N 1 2 227.264 -2.085 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CCNC1=O ZINC001030793804 641355841 /nfs/dbraw/zinc/35/58/41/641355841.db2.gz ZECNHAHSXVBZBE-QMMMGPOBSA-N 1 2 227.264 -2.085 20 0 BAADLO Cn1c(C(=O)NC2C[NH+](CCO)C2)c[nH]c1=O ZINC001030794888 641355438 /nfs/dbraw/zinc/35/54/38/641355438.db2.gz CYWDMSMOKMRLEZ-UHFFFAOYSA-N 1 2 240.263 -1.468 20 0 BAADLO CC[NH+]1CC(NC(=O)c2nnn(C)n2)C1 ZINC001030801880 641359683 /nfs/dbraw/zinc/35/96/83/641359683.db2.gz IYQRGQRSXJBTBE-UHFFFAOYSA-N 1 2 210.241 -1.356 20 0 BAADLO Cn1nnc(C(=O)NC2C[NH+](CCCF)C2)n1 ZINC001030804151 641360378 /nfs/dbraw/zinc/36/03/78/641360378.db2.gz OZCZMGDUUNEPDY-UHFFFAOYSA-N 1 2 242.258 -1.016 20 0 BAADLO CN1C(=O)CC[C@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030805492 641360081 /nfs/dbraw/zinc/36/00/81/641360081.db2.gz QOVBWVQXVMANML-VIFPVBQESA-N 1 2 241.291 -1.600 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001030811805 641363729 /nfs/dbraw/zinc/36/37/29/641363729.db2.gz WVULMBZZFDHCHY-MYJAWHEDSA-N 1 2 226.276 -1.329 20 0 BAADLO CN1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1=O ZINC001030812513 641363963 /nfs/dbraw/zinc/36/39/63/641363963.db2.gz PWFVALCKRARNMQ-SECBINFHSA-N 1 2 241.291 -1.743 20 0 BAADLO CN1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1=O ZINC001030812514 641364105 /nfs/dbraw/zinc/36/41/05/641364105.db2.gz PWFVALCKRARNMQ-VIFPVBQESA-N 1 2 241.291 -1.743 20 0 BAADLO CN1C(=O)CC[C@@H]1C(=O)NC1C[NH+](CCO)C1 ZINC001030830560 641373288 /nfs/dbraw/zinc/37/32/88/641373288.db2.gz QOVBWVQXVMANML-SECBINFHSA-N 1 2 241.291 -1.600 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)c1c[nH]c(=O)cn1 ZINC001030862867 641389620 /nfs/dbraw/zinc/38/96/20/641389620.db2.gz WJGNURXSFUJONM-UHFFFAOYSA-N 1 2 238.247 -1.824 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@H]1CNC(=O)N1 ZINC001030875914 641394937 /nfs/dbraw/zinc/39/49/37/641394937.db2.gz KLQXWBCYZYHTLR-MRVPVSSYSA-N 1 2 242.279 -2.149 20 0 BAADLO O=C(NC1C[NH+](CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001030875915 641395405 /nfs/dbraw/zinc/39/54/05/641395405.db2.gz KLQXWBCYZYHTLR-QMMMGPOBSA-N 1 2 242.279 -2.149 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030876578 641395311 /nfs/dbraw/zinc/39/53/11/641395311.db2.gz WGADVWNNPHGQCY-MRVPVSSYSA-N 1 2 242.279 -1.885 20 0 BAADLO COCC[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030876579 641395880 /nfs/dbraw/zinc/39/58/80/641395880.db2.gz WGADVWNNPHGQCY-QMMMGPOBSA-N 1 2 242.279 -1.885 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@H]1CNC(=O)N1 ZINC001030876721 641395759 /nfs/dbraw/zinc/39/57/59/641395759.db2.gz YXPDIMRHSRHVQH-SSDOTTSWSA-N 1 2 228.252 -2.540 20 0 BAADLO O=C(NC1C[NH+](CCO)C1)[C@@H]1CNC(=O)N1 ZINC001030876722 641395391 /nfs/dbraw/zinc/39/53/91/641395391.db2.gz YXPDIMRHSRHVQH-ZETCQYMHSA-N 1 2 228.252 -2.540 20 0 BAADLO CC[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030877351 641396728 /nfs/dbraw/zinc/39/67/28/641396728.db2.gz NEKVZMKJRFDHSB-SSDOTTSWSA-N 1 2 212.253 -1.512 20 0 BAADLO CC[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030877352 641396461 /nfs/dbraw/zinc/39/64/61/641396461.db2.gz NEKVZMKJRFDHSB-ZETCQYMHSA-N 1 2 212.253 -1.512 20 0 BAADLO O=C(NC1C[NH+](CCCF)C1)[C@H]1CNC(=O)N1 ZINC001030877924 641397333 /nfs/dbraw/zinc/39/73/33/641397333.db2.gz FYYRDYQGQPUGPE-MRVPVSSYSA-N 1 2 244.270 -1.172 20 0 BAADLO O=C(NC1C[NH+](CCCF)C1)[C@@H]1CNC(=O)N1 ZINC001030877925 641396532 /nfs/dbraw/zinc/39/65/32/641396532.db2.gz FYYRDYQGQPUGPE-QMMMGPOBSA-N 1 2 244.270 -1.172 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030878495 641397666 /nfs/dbraw/zinc/39/76/66/641397666.db2.gz REMSLHGAYDKMNG-HTRCEHHLSA-N 1 2 242.279 -2.151 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001030878496 641397375 /nfs/dbraw/zinc/39/73/75/641397375.db2.gz REMSLHGAYDKMNG-POYBYMJQSA-N 1 2 242.279 -2.151 20 0 BAADLO C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030878497 641396583 /nfs/dbraw/zinc/39/65/83/641396583.db2.gz REMSLHGAYDKMNG-SVRRBLITSA-N 1 2 242.279 -2.151 20 0 BAADLO C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001030878498 641397575 /nfs/dbraw/zinc/39/75/75/641397575.db2.gz REMSLHGAYDKMNG-XPUUQOCRSA-N 1 2 242.279 -2.151 20 0 BAADLO Cn1c[nH+]cc1CN1CC(NC(=O)C(N)=O)C1 ZINC001030882320 641398145 /nfs/dbraw/zinc/39/81/45/641398145.db2.gz VARWFWAFEMGHHO-UHFFFAOYSA-N 1 2 237.263 -1.794 20 0 BAADLO CO[C@@H](C)C[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883215 641398198 /nfs/dbraw/zinc/39/81/98/641398198.db2.gz YJHIUHOTJVKTIB-LURJTMIESA-N 1 2 215.253 -1.693 20 0 BAADLO CO[C@H](C)C[NH+]1CC(NC(=O)C(N)=O)C1 ZINC001030883216 641398630 /nfs/dbraw/zinc/39/86/30/641398630.db2.gz YJHIUHOTJVKTIB-ZCFIWIBFSA-N 1 2 215.253 -1.693 20 0 BAADLO NC(=O)C(=O)NC1C[NH+](CCCF)C1 ZINC001030883243 641398103 /nfs/dbraw/zinc/39/81/03/641398103.db2.gz ZPUNTOWUVZUXFQ-UHFFFAOYSA-N 1 2 203.217 -1.368 20 0 BAADLO CC[C@H](C[NH+]1CC(NC(=O)C(N)=O)C1)OC ZINC001030883701 641401307 /nfs/dbraw/zinc/40/13/07/641401307.db2.gz 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ZINC001033372004 711987583 /nfs/dbraw/zinc/98/75/83/711987583.db2.gz DFCHEYDFRRVBOY-ZETCQYMHSA-N 1 2 242.279 -2.250 20 0 BAADLO CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033372004 711987582 /nfs/dbraw/zinc/98/75/82/711987582.db2.gz DFCHEYDFRRVBOY-ZETCQYMHSA-N 1 2 242.279 -2.250 20 0 BAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033375038 711988336 /nfs/dbraw/zinc/98/83/36/711988336.db2.gz AGMZDYIUNRZBOL-SSDOTTSWSA-N 1 2 217.244 -1.026 20 0 BAADLO CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](CCF)C1 ZINC001033375038 711988333 /nfs/dbraw/zinc/98/83/33/711988333.db2.gz AGMZDYIUNRZBOL-SSDOTTSWSA-N 1 2 217.244 -1.026 20 0 BAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](CCF)C1 ZINC001033375039 711988282 /nfs/dbraw/zinc/98/82/82/711988282.db2.gz AGMZDYIUNRZBOL-ZETCQYMHSA-N 1 2 217.244 -1.026 20 0 BAADLO CN(C(=O)C(N)=O)[C@H]1CC[N@H+](CCF)C1 ZINC001033375039 711988281 /nfs/dbraw/zinc/98/82/81/711988281.db2.gz AGMZDYIUNRZBOL-ZETCQYMHSA-N 1 2 217.244 -1.026 20 0 BAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033376158 711987844 /nfs/dbraw/zinc/98/78/44/711987844.db2.gz NBECFFZDZLOAPZ-BQBZGAKWSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033376158 711987842 /nfs/dbraw/zinc/98/78/42/711987842.db2.gz NBECFFZDZLOAPZ-BQBZGAKWSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033376159 711988138 /nfs/dbraw/zinc/98/81/38/711988138.db2.gz NBECFFZDZLOAPZ-NKWVEPMBSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033376159 711988137 /nfs/dbraw/zinc/98/81/37/711988137.db2.gz NBECFFZDZLOAPZ-NKWVEPMBSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033376160 711988159 /nfs/dbraw/zinc/98/81/59/711988159.db2.gz NBECFFZDZLOAPZ-RNFRBKRXSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001033376160 711988158 /nfs/dbraw/zinc/98/81/58/711988158.db2.gz NBECFFZDZLOAPZ-RNFRBKRXSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033376161 711987910 /nfs/dbraw/zinc/98/79/10/711987910.db2.gz NBECFFZDZLOAPZ-RQJHMYQMSA-N 1 2 242.279 -2.122 20 0 BAADLO C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001033376161 711987907 /nfs/dbraw/zinc/98/79/07/711987907.db2.gz NBECFFZDZLOAPZ-RQJHMYQMSA-N 1 2 242.279 -2.122 20 0 BAADLO NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372886 712061330 /nfs/dbraw/zinc/06/13/30/712061330.db2.gz QDYIJUJSDLJTRN-SSDOTTSWSA-N 1 2 242.279 -2.072 20 0 BAADLO NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034372886 712061329 /nfs/dbraw/zinc/06/13/29/712061329.db2.gz QDYIJUJSDLJTRN-SSDOTTSWSA-N 1 2 242.279 -2.072 20 0 BAADLO NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372887 712061534 /nfs/dbraw/zinc/06/15/34/712061534.db2.gz QDYIJUJSDLJTRN-ZETCQYMHSA-N 1 2 242.279 -2.072 20 0 BAADLO NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034372887 712061532 /nfs/dbraw/zinc/06/15/32/712061532.db2.gz QDYIJUJSDLJTRN-ZETCQYMHSA-N 1 2 242.279 -2.072 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCCO)c1cnn[nH]1 ZINC001038445985 710688160 /nfs/dbraw/zinc/68/81/60/710688160.db2.gz MNFTUILGAKZCQA-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCCO)c1cnn[nH]1 ZINC001038445985 710688156 /nfs/dbraw/zinc/68/81/56/710688156.db2.gz MNFTUILGAKZCQA-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCCO)c1cn[nH]n1 ZINC001038445985 710688153 /nfs/dbraw/zinc/68/81/53/710688153.db2.gz MNFTUILGAKZCQA-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCCO)c1cn[nH]n1 ZINC001038445985 710688151 /nfs/dbraw/zinc/68/81/51/710688151.db2.gz MNFTUILGAKZCQA-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1cnn[nH]1 ZINC001038445988 710688030 /nfs/dbraw/zinc/68/80/30/710688030.db2.gz MNFTUILGAKZCQA-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCCO)c1cnn[nH]1 ZINC001038445988 710688028 /nfs/dbraw/zinc/68/80/28/710688028.db2.gz MNFTUILGAKZCQA-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1cn[nH]n1 ZINC001038445988 710688024 /nfs/dbraw/zinc/68/80/24/710688024.db2.gz MNFTUILGAKZCQA-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCCO)c1cn[nH]n1 ZINC001038445988 710688022 /nfs/dbraw/zinc/68/80/22/710688022.db2.gz MNFTUILGAKZCQA-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1cnn[nH]1 ZINC001038450723 710687360 /nfs/dbraw/zinc/68/73/60/710687360.db2.gz MJHLMXLIVYDCEH-SSDOTTSWSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1cnn[nH]1 ZINC001038450723 710687357 /nfs/dbraw/zinc/68/73/57/710687357.db2.gz MJHLMXLIVYDCEH-SSDOTTSWSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1cn[nH]n1 ZINC001038450723 710687355 /nfs/dbraw/zinc/68/73/55/710687355.db2.gz MJHLMXLIVYDCEH-SSDOTTSWSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1cn[nH]n1 ZINC001038450723 710687352 /nfs/dbraw/zinc/68/73/52/710687352.db2.gz MJHLMXLIVYDCEH-SSDOTTSWSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1cnn[nH]1 ZINC001038450728 710687673 /nfs/dbraw/zinc/68/76/73/710687673.db2.gz MJHLMXLIVYDCEH-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1cnn[nH]1 ZINC001038450728 710687670 /nfs/dbraw/zinc/68/76/70/710687670.db2.gz MJHLMXLIVYDCEH-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1cn[nH]n1 ZINC001038450728 710687668 /nfs/dbraw/zinc/68/76/68/710687668.db2.gz MJHLMXLIVYDCEH-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1cn[nH]n1 ZINC001038450728 710687666 /nfs/dbraw/zinc/68/76/66/710687666.db2.gz MJHLMXLIVYDCEH-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038452635 710687764 /nfs/dbraw/zinc/68/77/64/710687764.db2.gz AQGBJNZVTVNQKR-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038452635 710687763 /nfs/dbraw/zinc/68/77/63/710687763.db2.gz AQGBJNZVTVNQKR-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038452635 710687761 /nfs/dbraw/zinc/68/77/61/710687761.db2.gz AQGBJNZVTVNQKR-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038452635 710687758 /nfs/dbraw/zinc/68/77/58/710687758.db2.gz AQGBJNZVTVNQKR-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038452637 710687819 /nfs/dbraw/zinc/68/78/19/710687819.db2.gz AQGBJNZVTVNQKR-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001038452637 710687815 /nfs/dbraw/zinc/68/78/15/710687815.db2.gz AQGBJNZVTVNQKR-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038452637 710687812 /nfs/dbraw/zinc/68/78/12/710687812.db2.gz AQGBJNZVTVNQKR-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038452637 710687810 /nfs/dbraw/zinc/68/78/10/710687810.db2.gz AQGBJNZVTVNQKR-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038452639 710687913 /nfs/dbraw/zinc/68/79/13/710687913.db2.gz AQGBJNZVTVNQKR-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038452639 710687910 /nfs/dbraw/zinc/68/79/10/710687910.db2.gz AQGBJNZVTVNQKR-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038452639 710687908 /nfs/dbraw/zinc/68/79/08/710687908.db2.gz AQGBJNZVTVNQKR-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038452639 710687906 /nfs/dbraw/zinc/68/79/06/710687906.db2.gz AQGBJNZVTVNQKR-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038452642 710687507 /nfs/dbraw/zinc/68/75/07/710687507.db2.gz AQGBJNZVTVNQKR-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cnn[nH]1 ZINC001038452642 710687504 /nfs/dbraw/zinc/68/75/04/710687504.db2.gz AQGBJNZVTVNQKR-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038452642 710687501 /nfs/dbraw/zinc/68/75/01/710687501.db2.gz AQGBJNZVTVNQKR-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038452642 710687497 /nfs/dbraw/zinc/68/74/97/710687497.db2.gz AQGBJNZVTVNQKR-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038827282 710709569 /nfs/dbraw/zinc/70/95/69/710709569.db2.gz WXLATZLKXJZSHK-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038827282 710709563 /nfs/dbraw/zinc/70/95/63/710709563.db2.gz WXLATZLKXJZSHK-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038827282 710709560 /nfs/dbraw/zinc/70/95/60/710709560.db2.gz WXLATZLKXJZSHK-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038827282 710709555 /nfs/dbraw/zinc/70/95/55/710709555.db2.gz WXLATZLKXJZSHK-HTQZYQBOSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038827288 710710326 /nfs/dbraw/zinc/71/03/26/710710326.db2.gz WXLATZLKXJZSHK-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001038827288 710710323 /nfs/dbraw/zinc/71/03/23/710710323.db2.gz WXLATZLKXJZSHK-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038827288 710710321 /nfs/dbraw/zinc/71/03/21/710710321.db2.gz WXLATZLKXJZSHK-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038827288 710710319 /nfs/dbraw/zinc/71/03/19/710710319.db2.gz WXLATZLKXJZSHK-JGVFFNPUSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038827294 710710712 /nfs/dbraw/zinc/71/07/12/710710712.db2.gz WXLATZLKXJZSHK-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038827294 710710707 /nfs/dbraw/zinc/71/07/07/710710707.db2.gz WXLATZLKXJZSHK-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038827294 710710704 /nfs/dbraw/zinc/71/07/04/710710704.db2.gz WXLATZLKXJZSHK-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038827294 710710699 /nfs/dbraw/zinc/71/06/99/710710699.db2.gz WXLATZLKXJZSHK-SFYZADRCSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038827301 710709877 /nfs/dbraw/zinc/70/98/77/710709877.db2.gz WXLATZLKXJZSHK-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001038827301 710709874 /nfs/dbraw/zinc/70/98/74/710709874.db2.gz WXLATZLKXJZSHK-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038827301 710709872 /nfs/dbraw/zinc/70/98/72/710709872.db2.gz WXLATZLKXJZSHK-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038827301 710709870 /nfs/dbraw/zinc/70/98/70/710709870.db2.gz WXLATZLKXJZSHK-YUMQZZPRSA-N 1 2 239.279 -1.010 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCO)c1nnc[nH]1 ZINC001038839788 710708950 /nfs/dbraw/zinc/70/89/50/710708950.db2.gz BSRLUCAHFSSLMX-SSDOTTSWSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCO)c1nnc[nH]1 ZINC001038839788 710708945 /nfs/dbraw/zinc/70/89/45/710708945.db2.gz BSRLUCAHFSSLMX-SSDOTTSWSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCO)c1nnc[nH]1 ZINC001038839789 710709298 /nfs/dbraw/zinc/70/92/98/710709298.db2.gz BSRLUCAHFSSLMX-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCO)c1nnc[nH]1 ZINC001038839789 710709295 /nfs/dbraw/zinc/70/92/95/710709295.db2.gz BSRLUCAHFSSLMX-ZETCQYMHSA-N 1 2 225.252 -1.399 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCCO)c1ncn[nH]1 ZINC001038842204 710710489 /nfs/dbraw/zinc/71/04/89/710710489.db2.gz QXCBBIJLRPKILS-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCCO)c1ncn[nH]1 ZINC001038842204 710710487 /nfs/dbraw/zinc/71/04/87/710710487.db2.gz QXCBBIJLRPKILS-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@@H+]1CCCO)c1nnc[nH]1 ZINC001038842204 710710483 /nfs/dbraw/zinc/71/04/83/710710483.db2.gz QXCBBIJLRPKILS-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@H]1CC[N@H+]1CCCO)c1nnc[nH]1 ZINC001038842204 710710480 /nfs/dbraw/zinc/71/04/80/710710480.db2.gz QXCBBIJLRPKILS-MRVPVSSYSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1ncn[nH]1 ZINC001038842209 710709846 /nfs/dbraw/zinc/70/98/46/710709846.db2.gz QXCBBIJLRPKILS-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCCO)c1ncn[nH]1 ZINC001038842209 710709843 /nfs/dbraw/zinc/70/98/43/710709843.db2.gz QXCBBIJLRPKILS-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1nnc[nH]1 ZINC001038842209 710709840 /nfs/dbraw/zinc/70/98/40/710709840.db2.gz QXCBBIJLRPKILS-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO O=C(NC[C@@H]1CC[N@H+]1CCCO)c1nnc[nH]1 ZINC001038842209 710709833 /nfs/dbraw/zinc/70/98/33/710709833.db2.gz QXCBBIJLRPKILS-QMMMGPOBSA-N 1 2 239.279 -1.009 20 0 BAADLO CN(C(=O)Cn1cnnn1)C1C[NH+](CCO)C1 ZINC001042455842 710783926 /nfs/dbraw/zinc/78/39/26/710783926.db2.gz SPNIPAQLTUHLGT-UHFFFAOYSA-N 1 2 240.267 -2.192 20 0 BAADLO CN(C(=O)[C@@H]1COCCO1)C1C[NH+](CCO)C1 ZINC001042491216 710788017 /nfs/dbraw/zinc/78/80/17/710788017.db2.gz VGKNKACGUYKOHF-JTQLQIEISA-N 1 2 244.291 -1.463 20 0 BAADLO CN(C(=O)[C@H]1COCCO1)C1C[NH+](CCO)C1 ZINC001042491217 710788320 /nfs/dbraw/zinc/78/83/20/710788320.db2.gz VGKNKACGUYKOHF-SNVBAGLBSA-N 1 2 244.291 -1.463 20 0 BAADLO CN(C(=O)[C@H]1CCC(=O)N1)C1C[NH+](CCO)C1 ZINC001042541947 710791500 /nfs/dbraw/zinc/79/15/00/710791500.db2.gz FESNZDCWCWSDCV-SECBINFHSA-N 1 2 241.291 -1.600 20 0 BAADLO CN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](CCO)C1 ZINC001042676907 710796764 /nfs/dbraw/zinc/79/67/64/710796764.db2.gz GLZDCPWBMXKHPX-MRVPVSSYSA-N 1 2 243.263 -1.770 20 0 BAADLO CN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](CCO)C1 ZINC001042676908 710796284 /nfs/dbraw/zinc/79/62/84/710796284.db2.gz GLZDCPWBMXKHPX-QMMMGPOBSA-N 1 2 243.263 -1.770 20 0 BAADLO CN(C(=O)Cn1ncnn1)C1C[NH+](CCO)C1 ZINC001042729285 711799053 /nfs/dbraw/zinc/79/90/53/711799053.db2.gz DDAQENDDAPRFJX-UHFFFAOYSA-N 1 2 240.267 -2.192 20 0 BAADLO CN(C(=O)Cn1nccn1)C1C[NH+](CCO)C1 ZINC001042799623 710799006 /nfs/dbraw/zinc/79/90/06/710799006.db2.gz SCMNZVFVOOLAJE-UHFFFAOYSA-N 1 2 239.279 -1.587 20 0 BAADLO CN(C(=O)c1cn[nH]n1)C1C[NH+](CCCO)C1 ZINC001043201863 710804596 /nfs/dbraw/zinc/80/45/96/710804596.db2.gz MPNOEHXQCPMJRV-UHFFFAOYSA-N 1 2 239.279 -1.057 20 0 BAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC001043205344 710803669 /nfs/dbraw/zinc/80/36/69/710803669.db2.gz MVFAAZPVTQBYRI-SSDOTTSWSA-N 1 2 239.279 -1.058 20 0 BAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC001043205345 710803890 /nfs/dbraw/zinc/80/38/90/710803890.db2.gz MVFAAZPVTQBYRI-ZETCQYMHSA-N 1 2 239.279 -1.058 20 0 BAADLO CN(C(=O)[C@@H]1CCNC1=O)C1C[NH+](CCO)C1 ZINC001043532837 710809034 /nfs/dbraw/zinc/80/90/34/710809034.db2.gz GSMKMSBACAOPKU-SECBINFHSA-N 1 2 241.291 -1.743 20 0 BAADLO CN(C(=O)[C@H]1CCNC1=O)C1C[NH+](CCO)C1 ZINC001043532840 710808962 /nfs/dbraw/zinc/80/89/62/710808962.db2.gz GSMKMSBACAOPKU-VIFPVBQESA-N 1 2 241.291 -1.743 20 0 BAADLO CC[NH+]1CC(N(C)C(=O)c2nnn(C)n2)C1 ZINC001043550977 710809869 /nfs/dbraw/zinc/80/98/69/710809869.db2.gz RLNDXPFLHGQVFO-UHFFFAOYSA-N 1 2 224.268 -1.014 20 0 BAADLO CN(C(=O)[C@H]1CNC(=O)N1)C1C[NH+](CCO)C1 ZINC001043704979 710811400 /nfs/dbraw/zinc/81/14/00/710811400.db2.gz SECXHZMARVGVKH-MRVPVSSYSA-N 1 2 242.279 -2.197 20 0 BAADLO CN(C(=O)[C@@H]1CNC(=O)N1)C1C[NH+](CCO)C1 ZINC001043704981 710811484 /nfs/dbraw/zinc/81/14/84/710811484.db2.gz SECXHZMARVGVKH-QMMMGPOBSA-N 1 2 242.279 -2.197 20 0 BAADLO CN(C(=O)C(N)=O)C1C[NH+](CCCF)C1 ZINC001043713064 710812254 /nfs/dbraw/zinc/81/22/54/710812254.db2.gz DKFWYNDNQVLANV-UHFFFAOYSA-N 1 2 217.244 -1.026 20 0 BAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043714439 710812392 /nfs/dbraw/zinc/81/23/92/710812392.db2.gz OMNXYBZACCEJIT-LURJTMIESA-N 1 2 215.253 -2.005 20 0 BAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043714442 710812369 /nfs/dbraw/zinc/81/23/69/710812369.db2.gz OMNXYBZACCEJIT-ZCFIWIBFSA-N 1 2 215.253 -2.005 20 0 BAADLO CO[C@H](C)C[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043715072 710812748 /nfs/dbraw/zinc/81/27/48/710812748.db2.gz SRYWDSUJMXGHRC-SSDOTTSWSA-N 1 2 229.280 -1.351 20 0 BAADLO CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043715077 710812548 /nfs/dbraw/zinc/81/25/48/710812548.db2.gz SRYWDSUJMXGHRC-ZETCQYMHSA-N 1 2 229.280 -1.351 20 0 BAADLO COC[C@@H](C)[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043720157 710812758 /nfs/dbraw/zinc/81/27/58/710812758.db2.gz DYCFAUUYHYTETA-SSDOTTSWSA-N 1 2 229.280 -1.351 20 0 BAADLO COC[C@H](C)[NH+]1CC(N(C)C(=O)C(N)=O)C1 ZINC001043720159 710812223 /nfs/dbraw/zinc/81/22/23/710812223.db2.gz DYCFAUUYHYTETA-ZETCQYMHSA-N 1 2 229.280 -1.351 20 0 BAADLO CN(C(=O)C(N)=O)C1C[NH+](CCCO)C1 ZINC001043720276 710812071 /nfs/dbraw/zinc/81/20/71/710812071.db2.gz GVABZWLVJNMHDD-UHFFFAOYSA-N 1 2 215.253 -2.003 20 0 BAADLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](CCO)C1 ZINC001043892789 710814806 /nfs/dbraw/zinc/81/48/06/710814806.db2.gz AISIANDVIWWRDP-BDAKNGLRSA-N 1 2 241.291 -1.757 20 0 BAADLO CN(C(=O)c1nc[nH]n1)C1C[NH+](CCCO)C1 ZINC001044066883 711957209 /nfs/dbraw/zinc/95/72/09/711957209.db2.gz GMMDGYUCIHHVJW-UHFFFAOYSA-N 1 2 239.279 -1.057 20 0 BAADLO C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC001044070126 710818443 /nfs/dbraw/zinc/81/84/43/710818443.db2.gz GCAJYPPYLWVWEZ-SSDOTTSWSA-N 1 2 239.279 -1.058 20 0 BAADLO C[C@H](O)C[NH+]1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC001044070130 710818841 /nfs/dbraw/zinc/81/88/41/710818841.db2.gz GCAJYPPYLWVWEZ-ZETCQYMHSA-N 1 2 239.279 -1.058 20 0 BAADLO CN(C(=O)Cc1nnc[nH]1)C1C[NH+](CCO)C1 ZINC001044166116 710821842 /nfs/dbraw/zinc/82/18/42/710821842.db2.gz NIIABNSKTIHRQP-UHFFFAOYSA-N 1 2 239.279 -1.518 20 0 BAADLO CN(C(=O)[C@@H]1CCC(=O)N1)C1C[NH+](CCO)C1 ZINC001044207129 710821252 /nfs/dbraw/zinc/82/12/52/710821252.db2.gz FESNZDCWCWSDCV-VIFPVBQESA-N 1 2 241.291 -1.600 20 0 BAADLO CN(C(=O)Cn1cncn1)C1C[NH+](CCO)C1 ZINC001044269194 710823444 /nfs/dbraw/zinc/82/34/44/710823444.db2.gz HSSQGWSVNNUMJV-UHFFFAOYSA-N 1 2 239.279 -1.587 20 0 BAADLO CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053711746 710921654 /nfs/dbraw/zinc/92/16/54/710921654.db2.gz QSJLRNDZEUMCGM-SECBINFHSA-N 1 2 214.265 -1.042 20 0 BAADLO CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053711747 710920483 /nfs/dbraw/zinc/92/04/83/710920483.db2.gz QSJLRNDZEUMCGM-VIFPVBQESA-N 1 2 214.265 -1.042 20 0 BAADLO NC(=O)C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053912760 710922578 /nfs/dbraw/zinc/92/25/78/710922578.db2.gz GJZIGVDFWNEGHB-SSDOTTSWSA-N 1 2 243.263 -2.577 20 0 BAADLO NC(=O)C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053912761 710923479 /nfs/dbraw/zinc/92/34/79/710923479.db2.gz GJZIGVDFWNEGHB-ZETCQYMHSA-N 1 2 243.263 -2.577 20 0 BAADLO CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(N)=O)CO2 ZINC001053913540 710922978 /nfs/dbraw/zinc/92/29/78/710922978.db2.gz SLEFVYGLPUWGNA-SSDOTTSWSA-N 1 2 227.264 -1.549 20 0 BAADLO CC[NH+]1CC2(C1)C[C@H](NC(=O)C(N)=O)CO2 ZINC001053913541 710923468 /nfs/dbraw/zinc/92/34/68/710923468.db2.gz SLEFVYGLPUWGNA-ZETCQYMHSA-N 1 2 227.264 -1.549 20 0 BAADLO Cc1nc(N2CC[C@@H](NC(=O)C(N)=O)C2)cc[nH+]1 ZINC001058527579 711464100 /nfs/dbraw/zinc/46/41/00/711464100.db2.gz ZYAHISWLRRHLSA-MRVPVSSYSA-N 1 2 249.274 -1.035 20 0 BAADLO Cc1nc(N2CC[C@H](NC(=O)C(N)=O)C2)cc[nH+]1 ZINC001058527580 711463868 /nfs/dbraw/zinc/46/38/68/711463868.db2.gz ZYAHISWLRRHLSA-QMMMGPOBSA-N 1 2 249.274 -1.035 20 0 BAADLO CNC(=O)C[N@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073499558 711440728 /nfs/dbraw/zinc/44/07/28/711440728.db2.gz PBEWHEPHEHYZLO-JTQLQIEISA-N 1 2 243.307 -1.041 20 0 BAADLO CNC(=O)C[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073499558 711440725 /nfs/dbraw/zinc/44/07/25/711440725.db2.gz PBEWHEPHEHYZLO-JTQLQIEISA-N 1 2 243.307 -1.041 20 0 BAADLO CNC(=O)C[N@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073499559 711439567 /nfs/dbraw/zinc/43/95/67/711439567.db2.gz PBEWHEPHEHYZLO-SNVBAGLBSA-N 1 2 243.307 -1.041 20 0 BAADLO CNC(=O)C[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073499559 711439565 /nfs/dbraw/zinc/43/95/65/711439565.db2.gz PBEWHEPHEHYZLO-SNVBAGLBSA-N 1 2 243.307 -1.041 20 0 BAADLO CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073501434 711440104 /nfs/dbraw/zinc/44/01/04/711440104.db2.gz JKMNBDITQDWKAH-SECBINFHSA-N 1 2 229.280 -1.301 20 0 BAADLO CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073501434 711440103 /nfs/dbraw/zinc/44/01/03/711440103.db2.gz JKMNBDITQDWKAH-SECBINFHSA-N 1 2 229.280 -1.301 20 0 BAADLO CC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073501435 711439732 /nfs/dbraw/zinc/43/97/32/711439732.db2.gz JKMNBDITQDWKAH-VIFPVBQESA-N 1 2 229.280 -1.301 20 0 BAADLO CC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073501435 711439730 /nfs/dbraw/zinc/43/97/30/711439730.db2.gz JKMNBDITQDWKAH-VIFPVBQESA-N 1 2 229.280 -1.301 20 0 BAADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001074329107 711441502 /nfs/dbraw/zinc/44/15/02/711441502.db2.gz GKPITNGUOHAMPM-BDAKNGLRSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001074329107 711441501 /nfs/dbraw/zinc/44/15/01/711441501.db2.gz GKPITNGUOHAMPM-BDAKNGLRSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001074329108 711441985 /nfs/dbraw/zinc/44/19/85/711441985.db2.gz GKPITNGUOHAMPM-DTWKUNHWSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001074329108 711441984 /nfs/dbraw/zinc/44/19/84/711441984.db2.gz GKPITNGUOHAMPM-DTWKUNHWSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001074329109 711441761 /nfs/dbraw/zinc/44/17/61/711441761.db2.gz GKPITNGUOHAMPM-IUCAKERBSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001074329109 711441759 /nfs/dbraw/zinc/44/17/59/711441759.db2.gz GKPITNGUOHAMPM-IUCAKERBSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001074329110 711441784 /nfs/dbraw/zinc/44/17/84/711441784.db2.gz GKPITNGUOHAMPM-RKDXNWHRSA-N 1 2 241.291 -1.207 20 0 BAADLO CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001074329110 711441782 /nfs/dbraw/zinc/44/17/82/711441782.db2.gz GKPITNGUOHAMPM-RKDXNWHRSA-N 1 2 241.291 -1.207 20 0 BAADLO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001076650027 711806536 /nfs/dbraw/zinc/80/65/36/711806536.db2.gz LQYJLYNODJMUBZ-NXEZZACHSA-N 1 2 241.291 -1.600 20 0 BAADLO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001076650027 711806535 /nfs/dbraw/zinc/80/65/35/711806535.db2.gz LQYJLYNODJMUBZ-NXEZZACHSA-N 1 2 241.291 -1.600 20 0 BAADLO CNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001076650042 711807152 /nfs/dbraw/zinc/80/71/52/711807152.db2.gz MRQMQDRXPDLGRG-HTQZYQBOSA-N 1 2 215.253 -2.086 20 0 BAADLO CNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001076650042 711807151 /nfs/dbraw/zinc/80/71/51/711807151.db2.gz MRQMQDRXPDLGRG-HTQZYQBOSA-N 1 2 215.253 -2.086 20 0 BAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076653165 711807124 /nfs/dbraw/zinc/80/71/24/711807124.db2.gz BNCZUZLKKAABIB-BWZBUEFSSA-N 1 2 229.280 -1.569 20 0 BAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076653165 711807122 /nfs/dbraw/zinc/80/71/22/711807122.db2.gz BNCZUZLKKAABIB-BWZBUEFSSA-N 1 2 229.280 -1.569 20 0 BAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076653166 711807375 /nfs/dbraw/zinc/80/73/75/711807375.db2.gz BNCZUZLKKAABIB-XLPZGREQSA-N 1 2 229.280 -1.569 20 0 BAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076653166 711807373 /nfs/dbraw/zinc/80/73/73/711807373.db2.gz BNCZUZLKKAABIB-XLPZGREQSA-N 1 2 229.280 -1.569 20 0 BAADLO CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076653347 711807010 /nfs/dbraw/zinc/80/70/10/711807010.db2.gz KHIVMFVDAFUUNK-HRDYMLBCSA-N 1 2 241.291 -1.554 20 0 BAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001076653347 711807009 /nfs/dbraw/zinc/80/70/09/711807009.db2.gz KHIVMFVDAFUUNK-HRDYMLBCSA-N 1 2 241.291 -1.554 20 0 BAADLO CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076653348 711806896 /nfs/dbraw/zinc/80/68/96/711806896.db2.gz KHIVMFVDAFUUNK-IWSPIJDZSA-N 1 2 241.291 -1.554 20 0 BAADLO CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001076653348 711806894 /nfs/dbraw/zinc/80/68/94/711806894.db2.gz KHIVMFVDAFUUNK-IWSPIJDZSA-N 1 2 241.291 -1.554 20 0 BAADLO CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001076653594 711807305 /nfs/dbraw/zinc/80/73/05/711807305.db2.gz 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ZINC001076656951 711807001 /nfs/dbraw/zinc/80/70/01/711807001.db2.gz OOOOISSCWDHDOE-KXUCPTDWSA-N 1 2 241.291 -1.602 20 0 BAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001076656952 711807425 /nfs/dbraw/zinc/80/74/25/711807425.db2.gz OOOOISSCWDHDOE-OPRDCNLKSA-N 1 2 241.291 -1.602 20 0 BAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001076656952 711807424 /nfs/dbraw/zinc/80/74/24/711807424.db2.gz OOOOISSCWDHDOE-OPRDCNLKSA-N 1 2 241.291 -1.602 20 0 BAADLO CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076657037 711806832 /nfs/dbraw/zinc/80/68/32/711806832.db2.gz TXTCPYZUOBFQJX-LPBLVHEISA-N 1 2 215.253 -1.959 20 0 BAADLO CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076657037 711806830 /nfs/dbraw/zinc/80/68/30/711806830.db2.gz TXTCPYZUOBFQJX-LPBLVHEISA-N 1 2 215.253 -1.959 20 0 BAADLO CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076657038 711807379 /nfs/dbraw/zinc/80/73/79/711807379.db2.gz TXTCPYZUOBFQJX-UIISKDMLSA-N 1 2 215.253 -1.959 20 0 BAADLO CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076657038 711807377 /nfs/dbraw/zinc/80/73/77/711807377.db2.gz TXTCPYZUOBFQJX-UIISKDMLSA-N 1 2 215.253 -1.959 20 0 BAADLO C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662762 711807046 /nfs/dbraw/zinc/80/70/46/711807046.db2.gz VYAQRMAVTBQBBI-FTLITQJKSA-N 1 2 241.291 -1.569 20 0 BAADLO C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662762 711807045 /nfs/dbraw/zinc/80/70/45/711807045.db2.gz VYAQRMAVTBQBBI-FTLITQJKSA-N 1 2 241.291 -1.569 20 0 BAADLO C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662763 711807227 /nfs/dbraw/zinc/80/72/27/711807227.db2.gz VYAQRMAVTBQBBI-NBEYISGCSA-N 1 2 241.291 -1.569 20 0 BAADLO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662763 711807226 /nfs/dbraw/zinc/80/72/26/711807226.db2.gz VYAQRMAVTBQBBI-NBEYISGCSA-N 1 2 241.291 -1.569 20 0 BAADLO CC(F)(F)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076674029 711808002 /nfs/dbraw/zinc/80/80/02/711808002.db2.gz MYRPJMUHUSZKAG-RNFRBKRXSA-N 1 2 238.234 -1.205 20 0 BAADLO CC(F)(F)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076674029 711808000 /nfs/dbraw/zinc/80/80/00/711808000.db2.gz MYRPJMUHUSZKAG-RNFRBKRXSA-N 1 2 238.234 -1.205 20 0 BAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076753506 711808442 /nfs/dbraw/zinc/80/84/42/711808442.db2.gz MNBSQZQGDZSARG-DJLDLDEBSA-N 1 2 243.307 -1.323 20 0 BAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001076753506 711808440 /nfs/dbraw/zinc/80/84/40/711808440.db2.gz MNBSQZQGDZSARG-DJLDLDEBSA-N 1 2 243.307 -1.323 20 0 BAADLO CC(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076753507 711808316 /nfs/dbraw/zinc/80/83/16/711808316.db2.gz MNBSQZQGDZSARG-IWSPIJDZSA-N 1 2 243.307 -1.323 20 0 BAADLO CC(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001076753507 711808314 /nfs/dbraw/zinc/80/83/14/711808314.db2.gz MNBSQZQGDZSARG-IWSPIJDZSA-N 1 2 243.307 -1.323 20 0 BAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077289171 711811228 /nfs/dbraw/zinc/81/12/28/711811228.db2.gz CDNREKRQYAJRIP-HTQZYQBOSA-N 1 2 225.252 -1.401 20 0 BAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001077289171 711811227 /nfs/dbraw/zinc/81/12/27/711811227.db2.gz CDNREKRQYAJRIP-HTQZYQBOSA-N 1 2 225.252 -1.401 20 0 BAADLO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289171 711811225 /nfs/dbraw/zinc/81/12/25/711811225.db2.gz CDNREKRQYAJRIP-HTQZYQBOSA-N 1 2 225.252 -1.401 20 0 BAADLO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289171 711811223 /nfs/dbraw/zinc/81/12/23/711811223.db2.gz CDNREKRQYAJRIP-HTQZYQBOSA-N 1 2 225.252 -1.401 20 0 BAADLO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861651 711934391 /nfs/dbraw/zinc/93/43/91/711934391.db2.gz QDVKMYSIFJEAKU-HTQZYQBOSA-N 1 2 239.279 -1.012 20 0 BAADLO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861651 711934390 /nfs/dbraw/zinc/93/43/90/711934390.db2.gz 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