smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001421808429 890536265 /nfs/dbraw/zinc/53/62/65/890536265.db2.gz MXPVTRIWDBIGFX-GFCCVEGCSA-N 2 2 271.361 -1.109 20 0 CAADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422417692 890590496 /nfs/dbraw/zinc/59/04/96/890590496.db2.gz BJZWJLZOHAUZCI-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422417692 890590503 /nfs/dbraw/zinc/59/05/03/890590503.db2.gz BJZWJLZOHAUZCI-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001425789648 890817316 /nfs/dbraw/zinc/81/73/16/890817316.db2.gz PSKHCYXGBBYUCT-MNOVXSKESA-N 2 2 284.360 -1.200 20 0 CAADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001425789653 890820280 /nfs/dbraw/zinc/82/02/80/890820280.db2.gz PSKHCYXGBBYUCT-WDEREUQCSA-N 2 2 284.360 -1.200 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317356877 884192649 /nfs/dbraw/zinc/19/26/49/884192649.db2.gz PQBQGVPJDCCUOC-SNVBAGLBSA-N 2 2 265.317 -1.194 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001317617266 884227759 /nfs/dbraw/zinc/22/77/59/884227759.db2.gz SQQRKLTZWKNMRK-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP C[N@@H+]1CCN(Cc2cn(CC(N)=O)nn2)[C@@H](C[NH3+])C1 ZINC001326203009 884774732 /nfs/dbraw/zinc/77/47/32/884774732.db2.gz YQSSUAAZBFGBAJ-JTQLQIEISA-N 2 2 267.337 -2.162 20 0 CAADLP C[N@H+]1CCN(Cc2cn(CC(N)=O)nn2)[C@@H](C[NH3+])C1 ZINC001326203009 884774740 /nfs/dbraw/zinc/77/47/40/884774740.db2.gz YQSSUAAZBFGBAJ-JTQLQIEISA-N 2 2 267.337 -2.162 20 0 CAADLP C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC001327059696 884858923 /nfs/dbraw/zinc/85/89/23/884858923.db2.gz NSEFPJQONSZAOG-JTQLQIEISA-N 2 2 254.334 -1.514 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC001327601150 884908633 /nfs/dbraw/zinc/90/86/33/884908633.db2.gz GXDXSZKNTIQYSY-OPRDCNLKSA-N 2 2 254.334 -1.210 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC001327601150 884908647 /nfs/dbraw/zinc/90/86/47/884908647.db2.gz GXDXSZKNTIQYSY-OPRDCNLKSA-N 2 2 254.334 -1.210 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001328428909 884987047 /nfs/dbraw/zinc/98/70/47/884987047.db2.gz KIIOSXQGXQNLCZ-SNVBAGLBSA-N 2 2 259.350 -1.077 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001328428909 884987075 /nfs/dbraw/zinc/98/70/75/884987075.db2.gz KIIOSXQGXQNLCZ-SNVBAGLBSA-N 2 2 259.350 -1.077 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329376599 885094095 /nfs/dbraw/zinc/09/40/95/885094095.db2.gz UPHLDMWGLQWOLX-AEJSXWLSSA-N 2 2 268.317 -1.401 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329376599 885094109 /nfs/dbraw/zinc/09/41/09/885094109.db2.gz UPHLDMWGLQWOLX-AEJSXWLSSA-N 2 2 268.317 -1.401 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329376602 885095519 /nfs/dbraw/zinc/09/55/19/885095519.db2.gz UPHLDMWGLQWOLX-BBBLOLIVSA-N 2 2 268.317 -1.401 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329376602 885095536 /nfs/dbraw/zinc/09/55/36/885095536.db2.gz UPHLDMWGLQWOLX-BBBLOLIVSA-N 2 2 268.317 -1.401 20 0 CAADLP C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001330596483 885209570 /nfs/dbraw/zinc/20/95/70/885209570.db2.gz KXJAMPHBPQYIKM-VHSXEESVSA-N 2 2 256.350 -1.079 20 0 CAADLP C[NH2+]CCOCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001331730996 885325190 /nfs/dbraw/zinc/32/51/90/885325190.db2.gz JDQIHQAEGGQCPX-UHFFFAOYSA-N 2 2 283.332 -1.649 20 0 CAADLP Cn1ncnc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001332060737 885378102 /nfs/dbraw/zinc/37/81/02/885378102.db2.gz LVWBZUKFMHUDJJ-UHFFFAOYSA-N 2 2 252.322 -1.032 20 0 CAADLP COCC[NH2+]CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001332518182 885416053 /nfs/dbraw/zinc/41/60/53/885416053.db2.gz WRTDQVVJKGSGHQ-JTQLQIEISA-N 2 2 272.349 -1.712 20 0 CAADLP C[N@H+](CCNS(C)(=O)=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC001333528495 885486586 /nfs/dbraw/zinc/48/65/86/885486586.db2.gz FWMVLJOJOFWWKL-CIUDSAMLSA-N 2 2 251.352 -1.682 20 0 CAADLP C[N@@H+](CCNS(C)(=O)=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC001333528495 885486593 /nfs/dbraw/zinc/48/65/93/885486593.db2.gz FWMVLJOJOFWWKL-CIUDSAMLSA-N 2 2 251.352 -1.682 20 0 CAADLP C[C@H](CC[N@H+]1C[C@@H](O)[C@@H](O)C1)[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390360 885542221 /nfs/dbraw/zinc/54/22/21/885542221.db2.gz BBZDLHVFXNJJNZ-ZIQFBCGOSA-N 2 2 260.334 -2.160 20 0 CAADLP C[C@H](CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390360 885542234 /nfs/dbraw/zinc/54/22/34/885542234.db2.gz BBZDLHVFXNJJNZ-ZIQFBCGOSA-N 2 2 260.334 -2.160 20 0 CAADLP C[C@H](CC[NH+]1C[C@@H](O)[C@@H](O)C1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390360 885542244 /nfs/dbraw/zinc/54/22/44/885542244.db2.gz BBZDLHVFXNJJNZ-ZIQFBCGOSA-N 2 2 260.334 -2.160 20 0 CAADLP C[C@H](CC[NH+]1C[C@@H](O)[C@@H](O)C1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390360 885542255 /nfs/dbraw/zinc/54/22/55/885542255.db2.gz BBZDLHVFXNJJNZ-ZIQFBCGOSA-N 2 2 260.334 -2.160 20 0 CAADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000072 885643418 /nfs/dbraw/zinc/64/34/18/885643418.db2.gz JKBQWWPTJQVGDP-UONOGXRCSA-N 3 2 286.420 -1.749 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001340847037 885817799 /nfs/dbraw/zinc/81/77/99/885817799.db2.gz MFMDJMIMFMFATE-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001340847037 885817809 /nfs/dbraw/zinc/81/78/09/885817809.db2.gz MFMDJMIMFMFATE-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341434844 885837299 /nfs/dbraw/zinc/83/72/99/885837299.db2.gz JKUDPCYOYSTPEX-KXUCPTDWSA-N 2 2 252.318 -1.573 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H](O)C[NH3+])[C@@H](C)CO1 ZINC001341353175 885834687 /nfs/dbraw/zinc/83/46/87/885834687.db2.gz ZESWODWHJOOCQD-AXFHLTTASA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H](O)C[NH3+])[C@@H](C)CO1 ZINC001341353175 885834699 /nfs/dbraw/zinc/83/46/99/885834699.db2.gz ZESWODWHJOOCQD-AXFHLTTASA-N 2 2 259.350 -1.079 20 0 CAADLP C[NH+](C)CC(=O)NC[C@@H](C[NH3+])NC(=O)C[NH+](C)C ZINC001342179172 885877543 /nfs/dbraw/zinc/87/75/43/885877543.db2.gz MCOYLPKCZNSMBR-SECBINFHSA-N 3 2 259.354 -2.331 20 0 CAADLP [NH3+][C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C12CCC2 ZINC001342326392 885884106 /nfs/dbraw/zinc/88/41/06/885884106.db2.gz KCBNPWQTIXIKPH-NXEZZACHSA-N 2 2 266.345 -1.196 20 0 CAADLP C[NH+](C)CC(=O)N1CCNCCN(C(=O)C[NH+](C)C)CC1 ZINC001342646343 885893107 /nfs/dbraw/zinc/89/31/07/885893107.db2.gz VPPNIHVRWQCWFK-UHFFFAOYSA-N 2 2 299.419 -1.630 20 0 CAADLP C[NH2+]CCN(C(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC001342612792 885894276 /nfs/dbraw/zinc/89/42/76/885894276.db2.gz IUUQFQQHVBLXCE-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH2+]CC1=O ZINC001344081546 885932891 /nfs/dbraw/zinc/93/28/91/885932891.db2.gz MLINLICKCUNXKP-HLTSFMKQSA-N 2 2 256.306 -2.744 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001349617575 886141002 /nfs/dbraw/zinc/14/10/02/886141002.db2.gz NLOYDKNNTINRFA-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001349617575 886141011 /nfs/dbraw/zinc/14/10/11/886141011.db2.gz NLOYDKNNTINRFA-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ncnn1 ZINC001350081760 886160383 /nfs/dbraw/zinc/16/03/83/886160383.db2.gz WZDIYTQJTUEJFT-UHFFFAOYSA-N 2 2 269.353 -1.327 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ncnn1 ZINC001350081760 886160398 /nfs/dbraw/zinc/16/03/98/886160398.db2.gz WZDIYTQJTUEJFT-UHFFFAOYSA-N 2 2 269.353 -1.327 20 0 CAADLP O=C(NCC[NH+]1CCC1)C(F)C(=O)NCC[NH+]1CCC1 ZINC001351805426 886228113 /nfs/dbraw/zinc/22/81/13/886228113.db2.gz HDWRZHNDWIOIKV-UHFFFAOYSA-N 2 2 286.351 -1.032 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[NH2+]CCN1C ZINC001353591816 886282510 /nfs/dbraw/zinc/28/25/10/886282510.db2.gz VZTDSMWKLFETDD-CHWSQXEVSA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001353591819 886286275 /nfs/dbraw/zinc/28/62/75/886286275.db2.gz VZTDSMWKLFETDD-STQMWFEESA-N 2 2 283.420 -1.358 20 0 CAADLP O=C(C[NH+]1CCC(CO)CC1)N1CC([NH2+]C2COC2)C1 ZINC001363764996 886975861 /nfs/dbraw/zinc/97/58/61/886975861.db2.gz BUUFOSKUCUIISE-UHFFFAOYSA-N 2 2 283.372 -1.110 20 0 CAADLP CC[N@H+](CCO)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364855739 887145714 /nfs/dbraw/zinc/14/57/14/887145714.db2.gz VFNLGHMCZRQQRH-UHFFFAOYSA-N 2 2 294.421 -1.618 20 0 CAADLP CC[N@@H+](CCO)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364855739 887145719 /nfs/dbraw/zinc/14/57/19/887145719.db2.gz VFNLGHMCZRQQRH-UHFFFAOYSA-N 2 2 294.421 -1.618 20 0 CAADLP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001366520757 887303130 /nfs/dbraw/zinc/30/31/30/887303130.db2.gz HVTHNAWPZMNMHH-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001366520757 887303139 /nfs/dbraw/zinc/30/31/39/887303139.db2.gz HVTHNAWPZMNMHH-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366520757 887303155 /nfs/dbraw/zinc/30/31/55/887303155.db2.gz HVTHNAWPZMNMHH-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366520757 887303170 /nfs/dbraw/zinc/30/31/70/887303170.db2.gz HVTHNAWPZMNMHH-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001367507717 887388057 /nfs/dbraw/zinc/38/80/57/887388057.db2.gz MGDFANYCWDZSOK-WDEREUQCSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001367507717 887388069 /nfs/dbraw/zinc/38/80/69/887388069.db2.gz MGDFANYCWDZSOK-WDEREUQCSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367507717 887388085 /nfs/dbraw/zinc/38/80/85/887388085.db2.gz MGDFANYCWDZSOK-WDEREUQCSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367507717 887388095 /nfs/dbraw/zinc/38/80/95/887388095.db2.gz MGDFANYCWDZSOK-WDEREUQCSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367507668 887384922 /nfs/dbraw/zinc/38/49/22/887384922.db2.gz MGDFANYCWDZSOK-MNOVXSKESA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367507668 887384928 /nfs/dbraw/zinc/38/49/28/887384928.db2.gz MGDFANYCWDZSOK-MNOVXSKESA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376236996 887916197 /nfs/dbraw/zinc/91/61/97/887916197.db2.gz QYOZFJHNIQMVDV-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001376236996 887916204 /nfs/dbraw/zinc/91/62/04/887916204.db2.gz QYOZFJHNIQMVDV-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001376754657 887956594 /nfs/dbraw/zinc/95/65/94/887956594.db2.gz MHFQTMHUKJHDHH-MRVPVSSYSA-N 2 2 283.332 -1.071 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001379262083 888115923 /nfs/dbraw/zinc/11/59/23/888115923.db2.gz WBOOQLOYKWHGCB-WCBMZHEXSA-N 2 2 283.332 -2.097 20 0 CAADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001379964677 888182561 /nfs/dbraw/zinc/18/25/61/888182561.db2.gz IKSZOAFJDMOOGN-JTQLQIEISA-N 2 2 270.333 -1.304 20 0 CAADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001379964677 888182571 /nfs/dbraw/zinc/18/25/71/888182571.db2.gz IKSZOAFJDMOOGN-JTQLQIEISA-N 2 2 270.333 -1.304 20 0 CAADLP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382293672 888331925 /nfs/dbraw/zinc/33/19/25/888331925.db2.gz VPZBZCQPMCGSAY-WDEREUQCSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001382430362 888354693 /nfs/dbraw/zinc/35/46/93/888354693.db2.gz ZMDNELOEEDLMMK-DTWKUNHWSA-N 2 2 283.332 -1.765 20 0 CAADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394048082 888814856 /nfs/dbraw/zinc/81/48/56/888814856.db2.gz OXQNULXEYODITP-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001401548328 889153322 /nfs/dbraw/zinc/15/33/22/889153322.db2.gz IQEKZZJKCOOXGK-JTQLQIEISA-N 2 2 283.332 -1.845 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001401548328 889153327 /nfs/dbraw/zinc/15/33/27/889153327.db2.gz IQEKZZJKCOOXGK-JTQLQIEISA-N 2 2 283.332 -1.845 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)nn1 ZINC001403693447 889348025 /nfs/dbraw/zinc/34/80/25/889348025.db2.gz BPYPQTCTMBUGGH-NSHDSACASA-N 2 2 284.364 -1.667 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411090400 889731985 /nfs/dbraw/zinc/73/19/85/889731985.db2.gz CLOYDGZMEVJMGC-MWLCHTKSSA-N 2 2 270.333 -1.258 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317065643 884171130 /nfs/dbraw/zinc/17/11/30/884171130.db2.gz UDNYUTRRAZQISA-VIFPVBQESA-N 2 2 265.317 -1.111 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001317291268 884184567 /nfs/dbraw/zinc/18/45/67/884184567.db2.gz WEQFUMJDAKRSQF-ZJUUUORDSA-N 2 2 293.327 -1.217 20 0 CAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001317279012 884185334 /nfs/dbraw/zinc/18/53/34/884185334.db2.gz GUHGHZGWUDUNRJ-DTWKUNHWSA-N 2 2 265.317 -1.065 20 0 CAADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317572477 884220777 /nfs/dbraw/zinc/22/07/77/884220777.db2.gz GLPODYISZDMWKA-SNVBAGLBSA-N 2 2 281.364 -1.148 20 0 CAADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001317572477 884220789 /nfs/dbraw/zinc/22/07/89/884220789.db2.gz GLPODYISZDMWKA-SNVBAGLBSA-N 2 2 281.364 -1.148 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317606653 884225493 /nfs/dbraw/zinc/22/54/93/884225493.db2.gz SBTLSIGEMNHTKS-SNVBAGLBSA-N 2 2 279.344 -1.021 20 0 CAADLP C[C@H](C(=O)NCCN1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001318756833 884292587 /nfs/dbraw/zinc/29/25/87/884292587.db2.gz INUNAZIOFJXHHL-CQSZACIVSA-N 2 2 297.447 -1.014 20 0 CAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC(N)=O ZINC001319256522 884318605 /nfs/dbraw/zinc/31/86/05/884318605.db2.gz DUWUPJNEHZAGBF-MRVPVSSYSA-N 2 2 253.306 -1.221 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+]CCO ZINC001320261615 884405637 /nfs/dbraw/zinc/40/56/37/884405637.db2.gz UGIICUDVCXTYPN-SNVBAGLBSA-N 2 2 270.333 -1.588 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001320285382 884407330 /nfs/dbraw/zinc/40/73/30/884407330.db2.gz ZNWRDXQYOIGFHB-ONGXEEELSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001320285382 884407339 /nfs/dbraw/zinc/40/73/39/884407339.db2.gz ZNWRDXQYOIGFHB-ONGXEEELSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001320291900 884411485 /nfs/dbraw/zinc/41/14/85/884411485.db2.gz GKSFRQVUIVQWGR-JGVFFNPUSA-N 2 2 269.305 -2.107 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001320291902 884411946 /nfs/dbraw/zinc/41/19/46/884411946.db2.gz GKSFRQVUIVQWGR-YUMQZZPRSA-N 2 2 269.305 -2.107 20 0 CAADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320703781 884441777 /nfs/dbraw/zinc/44/17/77/884441777.db2.gz SCYRWYRLGFUVLV-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320703781 884441789 /nfs/dbraw/zinc/44/17/89/884441789.db2.gz SCYRWYRLGFUVLV-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322002470 884533663 /nfs/dbraw/zinc/53/36/63/884533663.db2.gz LOLPZALOTQASDX-WPRPVWTQSA-N 2 2 265.317 -1.065 20 0 CAADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001323579292 884625924 /nfs/dbraw/zinc/62/59/24/884625924.db2.gz HJUBTIDPDYDWMC-UHFFFAOYSA-N 2 2 265.317 -1.063 20 0 CAADLP O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)CC[NH2+]CCO ZINC001326044798 884762435 /nfs/dbraw/zinc/76/24/35/884762435.db2.gz IBMFETFJILUVQX-LBPRGKRZSA-N 2 2 296.371 -1.152 20 0 CAADLP C[NH2+]C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC001327059972 884860689 /nfs/dbraw/zinc/86/06/89/884860689.db2.gz NSEFPJQONSZAOG-SNVBAGLBSA-N 2 2 254.334 -1.514 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC001327472315 884890116 /nfs/dbraw/zinc/89/01/16/884890116.db2.gz PCPGKNQONAPAEG-GHMZBOCLSA-N 2 2 297.334 -1.024 20 0 CAADLP NC(=O)COC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC001327562597 884900367 /nfs/dbraw/zinc/90/03/67/884900367.db2.gz LXKUTKWGJAOFHK-LLVKDONJSA-N 2 2 257.334 -1.059 20 0 CAADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597711 884908474 /nfs/dbraw/zinc/90/84/74/884908474.db2.gz SPCWAUFUVUUCRF-CHWSQXEVSA-N 3 2 254.378 -1.046 20 0 CAADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597711 884908482 /nfs/dbraw/zinc/90/84/82/884908482.db2.gz SPCWAUFUVUUCRF-CHWSQXEVSA-N 3 2 254.378 -1.046 20 0 CAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC001328205669 884957711 /nfs/dbraw/zinc/95/77/11/884957711.db2.gz PNCMNPKXZLTFLY-SECBINFHSA-N 2 2 265.317 -1.063 20 0 CAADLP NC(=O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001328939165 885038529 /nfs/dbraw/zinc/03/85/29/885038529.db2.gz YRUFELJFKUIPBG-UHFFFAOYSA-N 2 2 265.317 -1.078 20 0 CAADLP [NH3+]C1(CNC(=O)C(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC001329063072 885056243 /nfs/dbraw/zinc/05/62/43/885056243.db2.gz UGELNZIPTNVMQS-UHFFFAOYSA-N 2 2 295.343 -1.377 20 0 CAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001329446539 885103926 /nfs/dbraw/zinc/10/39/26/885103926.db2.gz JKPSVRXKVIHTJA-VHSXEESVSA-N 2 2 277.328 -1.208 20 0 CAADLP O=C1NC[C@H]2C[N@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC001329499925 885109840 /nfs/dbraw/zinc/10/98/40/885109840.db2.gz WPOKSLGYYXHGIX-NSHDSACASA-N 2 2 281.360 -2.466 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC001329499925 885109848 /nfs/dbraw/zinc/10/98/48/885109848.db2.gz WPOKSLGYYXHGIX-NSHDSACASA-N 2 2 281.360 -2.466 20 0 CAADLP C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+](CCO)CC1 ZINC001329758580 885138826 /nfs/dbraw/zinc/13/88/26/885138826.db2.gz HCRSEQKRUGDRAZ-NSHDSACASA-N 2 2 258.366 -1.598 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330020785 885166014 /nfs/dbraw/zinc/16/60/14/885166014.db2.gz SNENPZZEUMBRSI-SNVBAGLBSA-N 2 2 281.316 -1.896 20 0 CAADLP CN1CC[NH+](CCn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC001330275132 885185824 /nfs/dbraw/zinc/18/58/24/885185824.db2.gz QWQNSXNSAVLOPM-UHFFFAOYSA-N 2 2 293.419 -1.069 20 0 CAADLP C[NH2+][C@H](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001330596481 885209186 /nfs/dbraw/zinc/20/91/86/885209186.db2.gz KXJAMPHBPQYIKM-NXEZZACHSA-N 2 2 256.350 -1.079 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001330853348 885233929 /nfs/dbraw/zinc/23/39/29/885233929.db2.gz KCHNHJHQPSNLHS-SECBINFHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001330853348 885233942 /nfs/dbraw/zinc/23/39/42/885233942.db2.gz KCHNHJHQPSNLHS-SECBINFHSA-N 2 2 254.334 -1.244 20 0 CAADLP NS(=O)(=O)CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC001331288166 885273255 /nfs/dbraw/zinc/27/32/55/885273255.db2.gz JZQYRHDPPCGVMX-UHFFFAOYSA-N 2 2 265.379 -1.289 20 0 CAADLP COCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001331789477 885348174 /nfs/dbraw/zinc/34/81/74/885348174.db2.gz JHZUEIYVFLVHPG-JTQLQIEISA-N 2 2 256.306 -1.335 20 0 CAADLP COCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001331789478 885348657 /nfs/dbraw/zinc/34/86/57/885348657.db2.gz JHZUEIYVFLVHPG-SNVBAGLBSA-N 2 2 256.306 -1.335 20 0 CAADLP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001332335252 885400390 /nfs/dbraw/zinc/40/03/90/885400390.db2.gz ROQGAKRTSWSMPQ-UHFFFAOYSA-N 3 2 255.366 -2.087 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001333436196 885481338 /nfs/dbraw/zinc/48/13/38/885481338.db2.gz BHTJOGBJYDMXLY-TXEJJXNPSA-N 2 2 298.387 -1.370 20 0 CAADLP O=C(NCCC[NH+]1CCOCC1)N1CCNCC[NH2+]CC1 ZINC001335359327 885616193 /nfs/dbraw/zinc/61/61/93/885616193.db2.gz AKSNGLBAVYMQKC-UHFFFAOYSA-N 2 2 299.419 -1.087 20 0 CAADLP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@H+](C)CCO1 ZINC001335489042 885619813 /nfs/dbraw/zinc/61/98/13/885619813.db2.gz BLETWOWBPDFNSB-QWHCGFSZSA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001335489042 885619829 /nfs/dbraw/zinc/61/98/29/885619829.db2.gz BLETWOWBPDFNSB-QWHCGFSZSA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@H+](C)CCO1 ZINC001335489040 885621277 /nfs/dbraw/zinc/62/12/77/885621277.db2.gz BLETWOWBPDFNSB-CHWSQXEVSA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001335489040 885621285 /nfs/dbraw/zinc/62/12/85/885621285.db2.gz BLETWOWBPDFNSB-CHWSQXEVSA-N 2 2 299.419 -1.090 20 0 CAADLP CN(C)S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001335431454 885621356 /nfs/dbraw/zinc/62/13/56/885621356.db2.gz MNJSXPZUZBUBIS-NSHDSACASA-N 2 2 294.421 -1.573 20 0 CAADLP CN(C)S(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001335431454 885621362 /nfs/dbraw/zinc/62/13/62/885621362.db2.gz MNJSXPZUZBUBIS-NSHDSACASA-N 2 2 294.421 -1.573 20 0 CAADLP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001335489043 885621675 /nfs/dbraw/zinc/62/16/75/885621675.db2.gz BLETWOWBPDFNSB-STQMWFEESA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001335489043 885621687 /nfs/dbraw/zinc/62/16/87/885621687.db2.gz BLETWOWBPDFNSB-STQMWFEESA-N 2 2 299.419 -1.090 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001335593165 885623270 /nfs/dbraw/zinc/62/32/70/885623270.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001335593165 885623280 /nfs/dbraw/zinc/62/32/80/885623280.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001335593165 885623290 /nfs/dbraw/zinc/62/32/90/885623290.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001335593165 885623304 /nfs/dbraw/zinc/62/33/04/885623304.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001335593162 885625182 /nfs/dbraw/zinc/62/51/82/885625182.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC001335593162 885625187 /nfs/dbraw/zinc/62/51/87/885625187.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001335593162 885625195 /nfs/dbraw/zinc/62/51/95/885625195.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001335593162 885625208 /nfs/dbraw/zinc/62/52/08/885625208.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001335593163 885625300 /nfs/dbraw/zinc/62/53/00/885625300.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001335593163 885625307 /nfs/dbraw/zinc/62/53/07/885625307.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001335593163 885625314 /nfs/dbraw/zinc/62/53/14/885625314.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001335593163 885625323 /nfs/dbraw/zinc/62/53/23/885625323.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 2 297.403 -1.831 20 0 CAADLP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000071 885643351 /nfs/dbraw/zinc/64/33/51/885643351.db2.gz JKBQWWPTJQVGDP-KGLIPLIRSA-N 3 2 286.420 -1.749 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001336657511 885674023 /nfs/dbraw/zinc/67/40/23/885674023.db2.gz AXIXKTQNBNLPDQ-OPRDCNLKSA-N 2 2 255.318 -1.055 20 0 CAADLP COCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(N)=O ZINC001338518344 885748927 /nfs/dbraw/zinc/74/89/27/885748927.db2.gz IMMLDYNJJAJJEV-GHMZBOCLSA-N 2 2 259.350 -1.077 20 0 CAADLP COCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(N)=O ZINC001338518351 885749089 /nfs/dbraw/zinc/74/90/89/885749089.db2.gz IMMLDYNJJAJJEV-WDEREUQCSA-N 2 2 259.350 -1.077 20 0 CAADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001338520887 885750815 /nfs/dbraw/zinc/75/08/15/885750815.db2.gz LWZFXOPFSKSPSY-KGLIPLIRSA-N 3 2 288.436 -1.503 20 0 CAADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001338520891 885750942 /nfs/dbraw/zinc/75/09/42/885750942.db2.gz LWZFXOPFSKSPSY-ZIAGYGMSSA-N 3 2 288.436 -1.503 20 0 CAADLP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001339414250 885770208 /nfs/dbraw/zinc/77/02/08/885770208.db2.gz MKWKTHLDPOFSDU-CQSZACIVSA-N 2 2 297.447 -1.014 20 0 CAADLP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001339414249 885770451 /nfs/dbraw/zinc/77/04/51/885770451.db2.gz MKWKTHLDPOFSDU-AWEZNQCLSA-N 2 2 297.447 -1.014 20 0 CAADLP [NH3+][C@H](CO)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340140422 885793767 /nfs/dbraw/zinc/79/37/67/885793767.db2.gz TXBIWMQYORJQGP-GHMZBOCLSA-N 2 2 257.334 -1.371 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001340810069 885815745 /nfs/dbraw/zinc/81/57/45/885815745.db2.gz UTHJHOHBHBOTMO-NXEZZACHSA-N 2 2 259.350 -1.079 20 0 CAADLP CN1CC[NH2+]C[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056923 885824930 /nfs/dbraw/zinc/82/49/30/885824930.db2.gz PLBAYXLZVRWDJG-GFCCVEGCSA-N 3 2 269.393 -1.571 20 0 CAADLP C[C@@H](C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001341222679 885831854 /nfs/dbraw/zinc/83/18/54/885831854.db2.gz POTIVZSOFMXWTM-ZDUSSCGKSA-N 2 2 283.420 -1.356 20 0 CAADLP C[C@H](C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC001341222653 885832654 /nfs/dbraw/zinc/83/26/54/885832654.db2.gz POTIVZSOFMXWTM-CYBMUJFWSA-N 2 2 283.420 -1.356 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNCC[NH3+])[C@@H](C)CO1 ZINC001341353160 885834370 /nfs/dbraw/zinc/83/43/70/885834370.db2.gz YZIYEYWKFUXOCT-WDEREUQCSA-N 2 2 258.366 -1.240 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNCC[NH3+])[C@@H](C)CO1 ZINC001341353160 885834373 /nfs/dbraw/zinc/83/43/73/885834373.db2.gz YZIYEYWKFUXOCT-WDEREUQCSA-N 2 2 258.366 -1.240 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341367221 885834975 /nfs/dbraw/zinc/83/49/75/885834975.db2.gz HYKGEOSJXMCWBM-SECBINFHSA-N 2 2 268.317 -2.335 20 0 CAADLP CN1CCN(C(=O)C2(O)C[NH2+]C2)CC[N@H+](C)CC1 ZINC001341512093 885842582 /nfs/dbraw/zinc/84/25/82/885842582.db2.gz PSCOAMONOBKVLC-UHFFFAOYSA-N 2 2 256.350 -1.974 20 0 CAADLP CN1CCN(C(=O)C2(O)C[NH2+]C2)CC[N@@H+](C)CC1 ZINC001341512093 885842594 /nfs/dbraw/zinc/84/25/94/885842594.db2.gz PSCOAMONOBKVLC-UHFFFAOYSA-N 2 2 256.350 -1.974 20 0 CAADLP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)C[C@@H](O)C[NH2+]1 ZINC001341677135 885853416 /nfs/dbraw/zinc/85/34/16/885853416.db2.gz ZGHCQXRMMNQSFR-ZYHUDNBSSA-N 2 2 257.334 -1.764 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001341672417 885853595 /nfs/dbraw/zinc/85/35/95/885853595.db2.gz GPPVWIOXLXKRAW-QUNCOHTASA-N 2 2 266.345 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001341672417 885853601 /nfs/dbraw/zinc/85/36/01/885853601.db2.gz GPPVWIOXLXKRAW-QUNCOHTASA-N 2 2 266.345 -1.196 20 0 CAADLP C[C@@H](NC(=O)COCC[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001342035733 885869088 /nfs/dbraw/zinc/86/90/88/885869088.db2.gz NWZBXGYDJHQZNT-GHMZBOCLSA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@@H](NC(=O)COCC[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001342035733 885869103 /nfs/dbraw/zinc/86/91/03/885869103.db2.gz NWZBXGYDJHQZNT-GHMZBOCLSA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC001342110304 885871962 /nfs/dbraw/zinc/87/19/62/885871962.db2.gz FYHNBLZZKCCSRG-UWVGGRQHSA-N 2 2 268.361 -1.079 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001342203357 885876724 /nfs/dbraw/zinc/87/67/24/885876724.db2.gz XGVQBPHGHIGZDY-SECBINFHSA-N 2 2 252.318 -1.714 20 0 CAADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001342268931 885880719 /nfs/dbraw/zinc/88/07/19/885880719.db2.gz DQVLOAHAFYMZKH-KXUCPTDWSA-N 2 2 250.302 -1.106 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001342476174 885889876 /nfs/dbraw/zinc/88/98/76/885889876.db2.gz KTWHBPHXQNQMBC-NSHDSACASA-N 3 2 256.350 -1.486 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH2+]CCN(C(=O)C[NH+](C)C)CC1 ZINC001342646343 885893125 /nfs/dbraw/zinc/89/31/25/885893125.db2.gz VPPNIHVRWQCWFK-UHFFFAOYSA-N 3 2 299.419 -1.630 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343122288 885908219 /nfs/dbraw/zinc/90/82/19/885908219.db2.gz ZQPBYIGNJIPQMO-GWCFXTLKSA-N 2 2 266.345 -1.324 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CC12CC2)N1CC[NH2+]CC1=O ZINC001343640190 885920557 /nfs/dbraw/zinc/92/05/57/885920557.db2.gz GICOKPKLZDWPGC-NXEZZACHSA-N 2 2 266.345 -1.325 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC12CC2)N1CC[NH2+]CC1=O ZINC001343640194 885921090 /nfs/dbraw/zinc/92/10/90/885921090.db2.gz GICOKPKLZDWPGC-VHSXEESVSA-N 2 2 266.345 -1.325 20 0 CAADLP CN1C[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)NC1=O ZINC001344708968 885948633 /nfs/dbraw/zinc/94/86/33/885948633.db2.gz TZQHCHUVHWQEAA-SNVBAGLBSA-N 2 2 269.349 -1.451 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001345627618 885967380 /nfs/dbraw/zinc/96/73/80/885967380.db2.gz YBHZQEODIUUXIZ-ZDUSSCGKSA-N 2 2 266.345 -1.227 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](CO)C1 ZINC001346227531 885992246 /nfs/dbraw/zinc/99/22/46/885992246.db2.gz ALNGJFHUFNIEOY-BDAKNGLRSA-N 2 2 256.306 -1.775 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](CO)C1 ZINC001346227531 885992265 /nfs/dbraw/zinc/99/22/65/885992265.db2.gz ALNGJFHUFNIEOY-BDAKNGLRSA-N 2 2 256.306 -1.775 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC001349472613 886132691 /nfs/dbraw/zinc/13/26/91/886132691.db2.gz JBKIACQNOVPJCC-VIFPVBQESA-N 2 2 258.322 -1.972 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC001349472613 886132699 /nfs/dbraw/zinc/13/26/99/886132699.db2.gz JBKIACQNOVPJCC-VIFPVBQESA-N 2 2 258.322 -1.972 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001349760513 886146662 /nfs/dbraw/zinc/14/66/62/886146662.db2.gz LZJCJLOJRCZRSO-SNVBAGLBSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001349760513 886146669 /nfs/dbraw/zinc/14/66/69/886146669.db2.gz LZJCJLOJRCZRSO-SNVBAGLBSA-N 2 2 284.360 -1.027 20 0 CAADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC001350412075 886170578 /nfs/dbraw/zinc/17/05/78/886170578.db2.gz RMECOPFSPMOHHR-QWRGUYRKSA-N 2 2 257.334 -1.513 20 0 CAADLP C[C@@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC001350837975 886186033 /nfs/dbraw/zinc/18/60/33/886186033.db2.gz KIXUWYXGIKDMMZ-JTQLQIEISA-N 2 2 256.350 -1.173 20 0 CAADLP C[NH+](C)C1(C(=O)NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001350849402 886186200 /nfs/dbraw/zinc/18/62/00/886186200.db2.gz TVVGBKKVDADTED-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001353122620 886263092 /nfs/dbraw/zinc/26/30/92/886263092.db2.gz UJXNYYOKDIKWOJ-MWLCHTKSSA-N 2 2 279.344 -1.197 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC001354682444 886322358 /nfs/dbraw/zinc/32/23/58/886322358.db2.gz BDARJYCXBUCTKD-VWYCJHECSA-N 2 2 268.361 -1.222 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112360 886420812 /nfs/dbraw/zinc/42/08/12/886420812.db2.gz YQNPABBJTSGWAP-TZMCWYRMSA-N 3 2 295.431 -1.086 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112360 886420819 /nfs/dbraw/zinc/42/08/19/886420819.db2.gz YQNPABBJTSGWAP-TZMCWYRMSA-N 3 2 295.431 -1.086 20 0 CAADLP CN1CCO[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001358111400 886421630 /nfs/dbraw/zinc/42/16/30/886421630.db2.gz LVITVRYFDNLQEI-LLVKDONJSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112358 886421862 /nfs/dbraw/zinc/42/18/62/886421862.db2.gz YQNPABBJTSGWAP-OCCSQVGLSA-N 3 2 295.431 -1.086 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112358 886421868 /nfs/dbraw/zinc/42/18/68/886421868.db2.gz YQNPABBJTSGWAP-OCCSQVGLSA-N 3 2 295.431 -1.086 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363534890 886931766 /nfs/dbraw/zinc/93/17/66/886931766.db2.gz FKKIMWPHLSRWNQ-YNEHKIRRSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363534890 886931775 /nfs/dbraw/zinc/93/17/75/886931775.db2.gz FKKIMWPHLSRWNQ-YNEHKIRRSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001363534890 886931786 /nfs/dbraw/zinc/93/17/86/886931786.db2.gz FKKIMWPHLSRWNQ-YNEHKIRRSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001363534890 886931790 /nfs/dbraw/zinc/93/17/90/886931790.db2.gz FKKIMWPHLSRWNQ-YNEHKIRRSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)C(C)(C)O)CC1=O ZINC001363819410 886991260 /nfs/dbraw/zinc/99/12/60/886991260.db2.gz YTSQBUHVUHBRER-NSHDSACASA-N 2 2 273.377 -1.176 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C(C)(C)O)CC1=O ZINC001363819410 886991267 /nfs/dbraw/zinc/99/12/67/886991267.db2.gz YTSQBUHVUHBRER-NSHDSACASA-N 2 2 273.377 -1.176 20 0 CAADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC([NH2+]C2COC2)C1 ZINC001364364763 887072258 /nfs/dbraw/zinc/07/22/58/887072258.db2.gz RTQHFRWCLHPDPN-ZDUSSCGKSA-N 2 2 281.356 -1.094 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001366005992 887262078 /nfs/dbraw/zinc/26/20/78/887262078.db2.gz RJJAFUYPEHJCQD-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366005992 887262089 /nfs/dbraw/zinc/26/20/89/887262089.db2.gz RJJAFUYPEHJCQD-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360345 887294437 /nfs/dbraw/zinc/29/44/37/887294437.db2.gz UKDKQXOWLJCBLA-ZJUUUORDSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360345 887294448 /nfs/dbraw/zinc/29/44/48/887294448.db2.gz UKDKQXOWLJCBLA-ZJUUUORDSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001367507643 887384296 /nfs/dbraw/zinc/38/42/96/887384296.db2.gz MGDFANYCWDZSOK-GHMZBOCLSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001367507643 887384308 /nfs/dbraw/zinc/38/43/08/887384308.db2.gz MGDFANYCWDZSOK-GHMZBOCLSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367507643 887384321 /nfs/dbraw/zinc/38/43/21/887384321.db2.gz MGDFANYCWDZSOK-GHMZBOCLSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367507643 887384331 /nfs/dbraw/zinc/38/43/31/887384331.db2.gz MGDFANYCWDZSOK-GHMZBOCLSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367507668 887384906 /nfs/dbraw/zinc/38/49/06/887384906.db2.gz MGDFANYCWDZSOK-MNOVXSKESA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367507668 887384912 /nfs/dbraw/zinc/38/49/12/887384912.db2.gz MGDFANYCWDZSOK-MNOVXSKESA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001367597861 887406120 /nfs/dbraw/zinc/40/61/20/887406120.db2.gz GKFLYISBLCDLEU-ZJUUUORDSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001367597834 887406766 /nfs/dbraw/zinc/40/67/66/887406766.db2.gz GKFLYISBLCDLEU-NXEZZACHSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001367597854 887407075 /nfs/dbraw/zinc/40/70/75/887407075.db2.gz GKFLYISBLCDLEU-UWVGGRQHSA-N 2 2 297.359 -1.707 20 0 CAADLP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367616486 887411527 /nfs/dbraw/zinc/41/15/27/887411527.db2.gz UXQDBLUMSBMMFA-GFCCVEGCSA-N 2 2 292.343 -1.047 20 0 CAADLP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001367616082 887411865 /nfs/dbraw/zinc/41/18/65/887411865.db2.gz MBMHFJTZTIWDDP-SNVBAGLBSA-N 2 2 297.359 -1.457 20 0 CAADLP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001367631446 887416624 /nfs/dbraw/zinc/41/66/24/887416624.db2.gz XNSVCLJIPLTURZ-LBPRGKRZSA-N 2 2 292.343 -1.117 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001367699995 887422243 /nfs/dbraw/zinc/42/22/43/887422243.db2.gz SKKNOVOVAMYKNN-MRVPVSSYSA-N 2 2 296.331 -1.498 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711430 887428351 /nfs/dbraw/zinc/42/83/51/887428351.db2.gz FQDCDHIKCYPRGY-NXEZZACHSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711430 887428362 /nfs/dbraw/zinc/42/83/62/887428362.db2.gz FQDCDHIKCYPRGY-NXEZZACHSA-N 2 2 296.375 -1.346 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001368402263 887486646 /nfs/dbraw/zinc/48/66/46/887486646.db2.gz XDVXUIFLOYWWIH-JTQLQIEISA-N 2 2 295.343 -1.749 20 0 CAADLP NC(=O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001368634857 887497987 /nfs/dbraw/zinc/49/79/87/887497987.db2.gz TURYZDCKDVPTND-UHFFFAOYSA-N 2 2 295.343 -1.377 20 0 CAADLP NC(=O)C[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001368779092 887501403 /nfs/dbraw/zinc/50/14/03/887501403.db2.gz LDQXEINQJQDPTR-UHFFFAOYSA-N 2 2 298.387 -1.489 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001369137406 887521394 /nfs/dbraw/zinc/52/13/94/887521394.db2.gz ITQQUKQXRIKFLC-CNDDSTCGSA-N 2 2 291.355 -1.258 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001369137406 887521406 /nfs/dbraw/zinc/52/14/06/887521406.db2.gz ITQQUKQXRIKFLC-CNDDSTCGSA-N 2 2 291.355 -1.258 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001369318059 887541039 /nfs/dbraw/zinc/54/10/39/887541039.db2.gz CPEZKYBYAMTOSJ-NEPJUHHUSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001369318059 887541043 /nfs/dbraw/zinc/54/10/43/887541043.db2.gz CPEZKYBYAMTOSJ-NEPJUHHUSA-N 2 2 296.375 -1.524 20 0 CAADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001369324856 887544003 /nfs/dbraw/zinc/54/40/03/887544003.db2.gz CCTUUZAPLFXOIR-GHMZBOCLSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001369324857 887544527 /nfs/dbraw/zinc/54/45/27/887544527.db2.gz CCTUUZAPLFXOIR-WDEREUQCSA-N 2 2 298.391 -1.278 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001369341732 887549712 /nfs/dbraw/zinc/54/97/12/887549712.db2.gz SNCXFSGDBBQBMU-UWVGGRQHSA-N 2 2 295.343 -2.003 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001369350069 887550678 /nfs/dbraw/zinc/55/06/78/887550678.db2.gz RAPUQPIEUUEFOB-GHMZBOCLSA-N 2 2 298.391 -1.106 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369368574 887556209 /nfs/dbraw/zinc/55/62/09/887556209.db2.gz DIMYENYRKKDICY-SNVBAGLBSA-N 2 2 293.331 -1.689 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369372133 887560580 /nfs/dbraw/zinc/56/05/80/887560580.db2.gz HQLMHCFCXAGTTR-GFCCVEGCSA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369372133 887560597 /nfs/dbraw/zinc/56/05/97/887560597.db2.gz HQLMHCFCXAGTTR-GFCCVEGCSA-N 2 2 298.391 -1.278 20 0 CAADLP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001369380494 887560736 /nfs/dbraw/zinc/56/07/36/887560736.db2.gz YEAMZQIOICLZHZ-GHMZBOCLSA-N 2 2 270.333 -1.015 20 0 CAADLP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001369380498 887561611 /nfs/dbraw/zinc/56/16/11/887561611.db2.gz YEAMZQIOICLZHZ-QWRGUYRKSA-N 2 2 270.333 -1.015 20 0 CAADLP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369374588 887561660 /nfs/dbraw/zinc/56/16/60/887561660.db2.gz INEWCZUUOXYJBX-VHSXEESVSA-N 2 2 297.359 -1.409 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369372148 887562576 /nfs/dbraw/zinc/56/25/76/887562576.db2.gz HQLMHCFCXAGTTR-LBPRGKRZSA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC001369372148 887562589 /nfs/dbraw/zinc/56/25/89/887562589.db2.gz HQLMHCFCXAGTTR-LBPRGKRZSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001369385047 887565175 /nfs/dbraw/zinc/56/51/75/887565175.db2.gz UXCJRUXKRUJMHT-VHSXEESVSA-N 2 2 299.379 -1.883 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369468526 887572871 /nfs/dbraw/zinc/57/28/71/887572871.db2.gz CTMHCFZQKDOYSF-GXSJLCMTSA-N 2 2 297.359 -1.504 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001369470998 887574219 /nfs/dbraw/zinc/57/42/19/887574219.db2.gz JKVMCDSBDWHRTA-OPRDCNLKSA-N 2 2 295.343 -1.593 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369484058 887576397 /nfs/dbraw/zinc/57/63/97/887576397.db2.gz OJYAEQXPLZARLL-ZJUUUORDSA-N 2 2 297.359 -1.504 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369484056 887576467 /nfs/dbraw/zinc/57/64/67/887576467.db2.gz OJYAEQXPLZARLL-VHSXEESVSA-N 2 2 297.359 -1.504 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001369485584 887577333 /nfs/dbraw/zinc/57/73/33/887577333.db2.gz DOQUVSHXRVDBDD-MNOVXSKESA-N 2 2 297.359 -1.444 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001369485587 887578827 /nfs/dbraw/zinc/57/88/27/887578827.db2.gz DOQUVSHXRVDBDD-QWRGUYRKSA-N 2 2 297.359 -1.444 20 0 CAADLP COCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001369553850 887588635 /nfs/dbraw/zinc/58/86/35/887588635.db2.gz NIZUVBNXVKBANL-LLVKDONJSA-N 2 2 286.376 -1.512 20 0 CAADLP COCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001369553850 887588648 /nfs/dbraw/zinc/58/86/48/887588648.db2.gz NIZUVBNXVKBANL-LLVKDONJSA-N 2 2 286.376 -1.512 20 0 CAADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001369553850 887588662 /nfs/dbraw/zinc/58/86/62/887588662.db2.gz NIZUVBNXVKBANL-LLVKDONJSA-N 2 2 286.376 -1.512 20 0 CAADLP COCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001369553850 887588671 /nfs/dbraw/zinc/58/86/71/887588671.db2.gz NIZUVBNXVKBANL-LLVKDONJSA-N 2 2 286.376 -1.512 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001370037290 887599052 /nfs/dbraw/zinc/59/90/52/887599052.db2.gz YOZSZPJMVZBNPO-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001370037290 887599070 /nfs/dbraw/zinc/59/90/70/887599070.db2.gz YOZSZPJMVZBNPO-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001370037290 887599085 /nfs/dbraw/zinc/59/90/85/887599085.db2.gz YOZSZPJMVZBNPO-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001370037290 887599089 /nfs/dbraw/zinc/59/90/89/887599089.db2.gz YOZSZPJMVZBNPO-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001370911702 887638401 /nfs/dbraw/zinc/63/84/01/887638401.db2.gz ABSWVBRYFSQLOG-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001370911702 887638409 /nfs/dbraw/zinc/63/84/09/887638409.db2.gz ABSWVBRYFSQLOG-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001372178341 887686556 /nfs/dbraw/zinc/68/65/56/887686556.db2.gz LBPLDKOSYTUVQP-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1nc(=O)n(C)[nH]1 ZINC001372178341 887686562 /nfs/dbraw/zinc/68/65/62/887686562.db2.gz LBPLDKOSYTUVQP-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001372178341 887686569 /nfs/dbraw/zinc/68/65/69/887686569.db2.gz LBPLDKOSYTUVQP-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001372178341 887686579 /nfs/dbraw/zinc/68/65/79/887686579.db2.gz LBPLDKOSYTUVQP-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)nc1=O ZINC001372222623 887689640 /nfs/dbraw/zinc/68/96/40/887689640.db2.gz VULOLINVNIYOSZ-JTQLQIEISA-N 2 2 296.375 -1.392 20 0 CAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)nc1=O ZINC001372222623 887689648 /nfs/dbraw/zinc/68/96/48/887689648.db2.gz VULOLINVNIYOSZ-JTQLQIEISA-N 2 2 296.375 -1.392 20 0 CAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001372222623 887689658 /nfs/dbraw/zinc/68/96/58/887689658.db2.gz VULOLINVNIYOSZ-JTQLQIEISA-N 2 2 296.375 -1.392 20 0 CAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001372222623 887689666 /nfs/dbraw/zinc/68/96/66/887689666.db2.gz VULOLINVNIYOSZ-JTQLQIEISA-N 2 2 296.375 -1.392 20 0 CAADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001372976377 887720172 /nfs/dbraw/zinc/72/01/72/887720172.db2.gz DCDUQJXRBOUGOI-QMMMGPOBSA-N 2 2 296.331 -1.416 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373283957 887726844 /nfs/dbraw/zinc/72/68/44/887726844.db2.gz YADNLWTXTGCFFU-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373283957 887726855 /nfs/dbraw/zinc/72/68/55/887726855.db2.gz YADNLWTXTGCFFU-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373283957 887726863 /nfs/dbraw/zinc/72/68/63/887726863.db2.gz YADNLWTXTGCFFU-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373283957 887726873 /nfs/dbraw/zinc/72/68/73/887726873.db2.gz YADNLWTXTGCFFU-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373505183 887747260 /nfs/dbraw/zinc/74/72/60/887747260.db2.gz WHLSVLBAEJZEET-JTQLQIEISA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373505183 887747273 /nfs/dbraw/zinc/74/72/73/887747273.db2.gz WHLSVLBAEJZEET-JTQLQIEISA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373505184 887748323 /nfs/dbraw/zinc/74/83/23/887748323.db2.gz WHLSVLBAEJZEET-SNVBAGLBSA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001373505184 887748336 /nfs/dbraw/zinc/74/83/36/887748336.db2.gz WHLSVLBAEJZEET-SNVBAGLBSA-N 2 2 297.359 -1.677 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373600257 887756289 /nfs/dbraw/zinc/75/62/89/887756289.db2.gz DBVMOYZARXYGKR-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373600257 887756298 /nfs/dbraw/zinc/75/62/98/887756298.db2.gz DBVMOYZARXYGKR-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001373649023 887760266 /nfs/dbraw/zinc/76/02/66/887760266.db2.gz UKDVKKVIFKTQJK-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001373649023 887760276 /nfs/dbraw/zinc/76/02/76/887760276.db2.gz UKDVKKVIFKTQJK-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001373649023 887760290 /nfs/dbraw/zinc/76/02/90/887760290.db2.gz UKDVKKVIFKTQJK-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001373649023 887760301 /nfs/dbraw/zinc/76/03/01/887760301.db2.gz UKDVKKVIFKTQJK-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374662898 887827743 /nfs/dbraw/zinc/82/77/43/887827743.db2.gz XRGBVHJCBHNKQU-ZJUUUORDSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001374663236 887828940 /nfs/dbraw/zinc/82/89/40/887828940.db2.gz YRPPAVJCHUFVLQ-IUCAKERBSA-N 2 2 281.316 -2.093 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001374658141 887829061 /nfs/dbraw/zinc/82/90/61/887829061.db2.gz KVJXONRVTVCMGP-BDAKNGLRSA-N 2 2 283.332 -1.717 20 0 CAADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001374678712 887832668 /nfs/dbraw/zinc/83/26/68/887832668.db2.gz UQFXPSGHQRXLJF-QWRGUYRKSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001374678712 887832678 /nfs/dbraw/zinc/83/26/78/887832678.db2.gz UQFXPSGHQRXLJF-QWRGUYRKSA-N 2 2 297.359 -1.104 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001374679264 887833960 /nfs/dbraw/zinc/83/39/60/887833960.db2.gz ZFXNKCFVNLMTHU-SNVBAGLBSA-N 2 2 283.332 -1.914 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374744285 887839524 /nfs/dbraw/zinc/83/95/24/887839524.db2.gz IXUITXYDSVOVHU-ZYHUDNBSSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374744285 887839537 /nfs/dbraw/zinc/83/95/37/887839537.db2.gz IXUITXYDSVOVHU-ZYHUDNBSSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001374852477 887849768 /nfs/dbraw/zinc/84/97/68/887849768.db2.gz KMCBLFKEZIUBIO-MRVPVSSYSA-N 2 2 282.304 -1.828 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374936536 887857394 /nfs/dbraw/zinc/85/73/94/887857394.db2.gz SKKNOVOVAMYKNN-QMMMGPOBSA-N 2 2 296.331 -1.498 20 0 CAADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001375545323 887882480 /nfs/dbraw/zinc/88/24/80/887882480.db2.gz UHFQUPKGQLVPTC-SNVBAGLBSA-N 2 2 293.375 -1.100 20 0 CAADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001375545323 887882494 /nfs/dbraw/zinc/88/24/94/887882494.db2.gz UHFQUPKGQLVPTC-SNVBAGLBSA-N 2 2 293.375 -1.100 20 0 CAADLP NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001375982011 887894452 /nfs/dbraw/zinc/89/44/52/887894452.db2.gz JYHZMRJNYQJPSD-UHFFFAOYSA-N 2 2 295.343 -1.377 20 0 CAADLP NC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001375981272 887894591 /nfs/dbraw/zinc/89/45/91/887894591.db2.gz QMGDXXPJVWYTJR-UHFFFAOYSA-N 2 2 295.343 -1.308 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376053627 887896757 /nfs/dbraw/zinc/89/67/57/887896757.db2.gz TUOKBSRJHWCCQK-ZWNOBZJWSA-N 2 2 284.360 -1.881 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376053627 887896759 /nfs/dbraw/zinc/89/67/59/887896759.db2.gz TUOKBSRJHWCCQK-ZWNOBZJWSA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376053627 887896768 /nfs/dbraw/zinc/89/67/68/887896768.db2.gz TUOKBSRJHWCCQK-ZWNOBZJWSA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376053627 887896772 /nfs/dbraw/zinc/89/67/72/887896772.db2.gz TUOKBSRJHWCCQK-ZWNOBZJWSA-N 2 2 284.360 -1.881 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376053622 887897189 /nfs/dbraw/zinc/89/71/89/887897189.db2.gz TUOKBSRJHWCCQK-MFKMUULPSA-N 2 2 284.360 -1.881 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376053622 887897192 /nfs/dbraw/zinc/89/71/92/887897192.db2.gz TUOKBSRJHWCCQK-MFKMUULPSA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376053622 887897195 /nfs/dbraw/zinc/89/71/95/887897195.db2.gz TUOKBSRJHWCCQK-MFKMUULPSA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376053622 887897199 /nfs/dbraw/zinc/89/71/99/887897199.db2.gz TUOKBSRJHWCCQK-MFKMUULPSA-N 2 2 284.360 -1.881 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376096591 887902634 /nfs/dbraw/zinc/90/26/34/887902634.db2.gz SNJUSOCELDBNRJ-CYBMUJFWSA-N 2 2 282.344 -1.194 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376096591 887902641 /nfs/dbraw/zinc/90/26/41/887902641.db2.gz SNJUSOCELDBNRJ-CYBMUJFWSA-N 2 2 282.344 -1.194 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081691 887903045 /nfs/dbraw/zinc/90/30/45/887903045.db2.gz LWUUWUXPOMOPLC-MFKMUULPSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081691 887903049 /nfs/dbraw/zinc/90/30/49/887903049.db2.gz LWUUWUXPOMOPLC-MFKMUULPSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081678 887903937 /nfs/dbraw/zinc/90/39/37/887903937.db2.gz LWUUWUXPOMOPLC-GWCFXTLKSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081678 887903944 /nfs/dbraw/zinc/90/39/44/887903944.db2.gz LWUUWUXPOMOPLC-GWCFXTLKSA-N 2 2 282.344 -1.114 20 0 CAADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376321397 887922474 /nfs/dbraw/zinc/92/24/74/887922474.db2.gz RWTDPGICBJXXJW-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699830 887952314 /nfs/dbraw/zinc/95/23/14/887952314.db2.gz IZKOQNQCCUPMKX-ZJUUUORDSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699830 887952321 /nfs/dbraw/zinc/95/23/21/887952321.db2.gz IZKOQNQCCUPMKX-ZJUUUORDSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699828 887952788 /nfs/dbraw/zinc/95/27/88/887952788.db2.gz IZKOQNQCCUPMKX-VHSXEESVSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699828 887952794 /nfs/dbraw/zinc/95/27/94/887952794.db2.gz IZKOQNQCCUPMKX-VHSXEESVSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699825 887953459 /nfs/dbraw/zinc/95/34/59/887953459.db2.gz IZKOQNQCCUPMKX-NXEZZACHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699825 887953467 /nfs/dbraw/zinc/95/34/67/887953467.db2.gz IZKOQNQCCUPMKX-NXEZZACHSA-N 2 2 296.375 -1.203 20 0 CAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001376832599 887960526 /nfs/dbraw/zinc/96/05/26/887960526.db2.gz ZICRXPGCYWJECT-QMMMGPOBSA-N 2 2 296.331 -1.498 20 0 CAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001376832598 887960857 /nfs/dbraw/zinc/96/08/57/887960857.db2.gz ZICRXPGCYWJECT-MRVPVSSYSA-N 2 2 296.331 -1.498 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001376849499 887963809 /nfs/dbraw/zinc/96/38/09/887963809.db2.gz LKNZZAFIRMPZEB-SNVBAGLBSA-N 2 2 295.343 -1.437 20 0 CAADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376895611 887967098 /nfs/dbraw/zinc/96/70/98/887967098.db2.gz JKVYPUONQRXATB-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376895611 887967110 /nfs/dbraw/zinc/96/71/10/887967110.db2.gz JKVYPUONQRXATB-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001376887678 887967926 /nfs/dbraw/zinc/96/79/26/887967926.db2.gz QXYLNADHJHUJMG-IUCAKERBSA-N 2 2 296.331 -1.439 20 0 CAADLP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001377137208 887974822 /nfs/dbraw/zinc/97/48/22/887974822.db2.gz DKJDLDOKAOLOSP-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001377137208 887974830 /nfs/dbraw/zinc/97/48/30/887974830.db2.gz DKJDLDOKAOLOSP-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001377137208 887974837 /nfs/dbraw/zinc/97/48/37/887974837.db2.gz DKJDLDOKAOLOSP-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001377137208 887974846 /nfs/dbraw/zinc/97/48/46/887974846.db2.gz DKJDLDOKAOLOSP-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001377222691 887980884 /nfs/dbraw/zinc/98/08/84/887980884.db2.gz NLSZWDOFEIICLZ-SNVBAGLBSA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001377222691 887980887 /nfs/dbraw/zinc/98/08/87/887980887.db2.gz NLSZWDOFEIICLZ-SNVBAGLBSA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001377222691 887980901 /nfs/dbraw/zinc/98/09/01/887980901.db2.gz NLSZWDOFEIICLZ-SNVBAGLBSA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001377222691 887980915 /nfs/dbraw/zinc/98/09/15/887980915.db2.gz NLSZWDOFEIICLZ-SNVBAGLBSA-N 2 2 299.375 -1.429 20 0 CAADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001377220098 887982931 /nfs/dbraw/zinc/98/29/31/887982931.db2.gz CDZYAUCIKBJOTM-VIFPVBQESA-N 2 2 287.364 -1.431 20 0 CAADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001377220098 887982935 /nfs/dbraw/zinc/98/29/35/887982935.db2.gz CDZYAUCIKBJOTM-VIFPVBQESA-N 2 2 287.364 -1.431 20 0 CAADLP CNC(=O)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001377234637 887988320 /nfs/dbraw/zinc/98/83/20/887988320.db2.gz JUGJFVIFORCOLU-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP CNC(=O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001377234637 887988322 /nfs/dbraw/zinc/98/83/22/887988322.db2.gz JUGJFVIFORCOLU-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001378082908 888034482 /nfs/dbraw/zinc/03/44/82/888034482.db2.gz LFUKJJUAYLRFMX-UWVGGRQHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001378082908 888034491 /nfs/dbraw/zinc/03/44/91/888034491.db2.gz LFUKJJUAYLRFMX-UWVGGRQHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001378082908 888034496 /nfs/dbraw/zinc/03/44/96/888034496.db2.gz LFUKJJUAYLRFMX-UWVGGRQHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001378082908 888034501 /nfs/dbraw/zinc/03/45/01/888034501.db2.gz LFUKJJUAYLRFMX-UWVGGRQHSA-N 2 2 297.359 -1.677 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242079 888046051 /nfs/dbraw/zinc/04/60/51/888046051.db2.gz XOFVYLBTODOXFI-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242079 888046057 /nfs/dbraw/zinc/04/60/57/888046057.db2.gz XOFVYLBTODOXFI-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)C1 ZINC001378242079 888046065 /nfs/dbraw/zinc/04/60/65/888046065.db2.gz XOFVYLBTODOXFI-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)C1 ZINC001378242079 888046070 /nfs/dbraw/zinc/04/60/70/888046070.db2.gz XOFVYLBTODOXFI-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001379191996 888096598 /nfs/dbraw/zinc/09/65/98/888096598.db2.gz UWWOWIRYSAHRHP-VHSXEESVSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001379191996 888096612 /nfs/dbraw/zinc/09/66/12/888096612.db2.gz UWWOWIRYSAHRHP-VHSXEESVSA-N 2 2 297.363 -2.129 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001379256786 888114410 /nfs/dbraw/zinc/11/44/10/888114410.db2.gz IJAHGSHSZAXTPC-JTQLQIEISA-N 2 2 283.332 -2.225 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001379262076 888114578 /nfs/dbraw/zinc/11/45/78/888114578.db2.gz WBOOQLOYKWHGCB-SCZZXKLOSA-N 2 2 283.332 -2.097 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001379401751 888137014 /nfs/dbraw/zinc/13/70/14/888137014.db2.gz FULOANFUNVXLOY-SECBINFHSA-N 2 2 296.331 -1.438 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001379461907 888146239 /nfs/dbraw/zinc/14/62/39/888146239.db2.gz IWPKVRALUNVTEA-NXEZZACHSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001379461907 888146244 /nfs/dbraw/zinc/14/62/44/888146244.db2.gz IWPKVRALUNVTEA-NXEZZACHSA-N 2 2 297.363 -2.129 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001379465074 888146966 /nfs/dbraw/zinc/14/69/66/888146966.db2.gz NBLOGUYYOZZFIA-WDEREUQCSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001379465074 888146978 /nfs/dbraw/zinc/14/69/78/888146978.db2.gz NBLOGUYYOZZFIA-WDEREUQCSA-N 2 2 296.375 -1.226 20 0 CAADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379484350 888150061 /nfs/dbraw/zinc/15/00/61/888150061.db2.gz YQIUSEGDFFFIGK-MNOVXSKESA-N 2 2 270.333 -1.015 20 0 CAADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001379507155 888156980 /nfs/dbraw/zinc/15/69/80/888156980.db2.gz UOCQOKWVMBMHJI-GHMZBOCLSA-N 2 2 298.391 -1.278 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001379523205 888161064 /nfs/dbraw/zinc/16/10/64/888161064.db2.gz BPTAPANGXKZHIN-LLVKDONJSA-N 2 2 297.359 -1.654 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380002735 888186705 /nfs/dbraw/zinc/18/67/05/888186705.db2.gz AZMKCLFYTXCCQQ-VHSXEESVSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380002735 888186716 /nfs/dbraw/zinc/18/67/16/888186716.db2.gz AZMKCLFYTXCCQQ-VHSXEESVSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984715 888187588 /nfs/dbraw/zinc/18/75/88/888187588.db2.gz OFBJJBUIAMIEJQ-MNOVXSKESA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984715 888187591 /nfs/dbraw/zinc/18/75/91/888187591.db2.gz OFBJJBUIAMIEJQ-MNOVXSKESA-N 2 2 297.359 -1.492 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380566821 888210754 /nfs/dbraw/zinc/21/07/54/888210754.db2.gz DEMNMKPIDPHNRQ-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380566821 888210764 /nfs/dbraw/zinc/21/07/64/888210764.db2.gz DEMNMKPIDPHNRQ-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001380570368 888212088 /nfs/dbraw/zinc/21/20/88/888212088.db2.gz ZURKUARLBOOGGZ-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001380570368 888212103 /nfs/dbraw/zinc/21/21/03/888212103.db2.gz ZURKUARLBOOGGZ-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001380610854 888219512 /nfs/dbraw/zinc/21/95/12/888219512.db2.gz APGGHOBEWCLZOJ-MNOVXSKESA-N 2 2 273.377 -1.130 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380642516 888223904 /nfs/dbraw/zinc/22/39/04/888223904.db2.gz OBUOEUQMKKRSLT-GHMZBOCLSA-N 2 2 271.361 -1.518 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380642516 888223916 /nfs/dbraw/zinc/22/39/16/888223916.db2.gz OBUOEUQMKKRSLT-GHMZBOCLSA-N 2 2 271.361 -1.518 20 0 CAADLP O=C(NCC1(O)C[NH+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001380641236 888222925 /nfs/dbraw/zinc/22/29/25/888222925.db2.gz KTJRRABGXBYXDA-UHFFFAOYSA-N 2 2 283.372 -1.373 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001381689922 888266107 /nfs/dbraw/zinc/26/61/07/888266107.db2.gz HXHODVROWCINOX-NSHDSACASA-N 2 2 271.361 -1.517 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001381689922 888266121 /nfs/dbraw/zinc/26/61/21/888266121.db2.gz HXHODVROWCINOX-NSHDSACASA-N 2 2 271.361 -1.517 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382187694 888293036 /nfs/dbraw/zinc/29/30/36/888293036.db2.gz UCWJKWNNTJUKBV-WDEREUQCSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382187694 888293050 /nfs/dbraw/zinc/29/30/50/888293050.db2.gz UCWJKWNNTJUKBV-WDEREUQCSA-N 2 2 296.375 -1.524 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001382212273 888303911 /nfs/dbraw/zinc/30/39/11/888303911.db2.gz OIWSMUHZODXOKJ-NXEZZACHSA-N 2 2 295.343 -2.003 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001382239198 888307079 /nfs/dbraw/zinc/30/70/79/888307079.db2.gz TXEMHXNFVXJGIE-UWVGGRQHSA-N 2 2 299.379 -1.711 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382268048 888316823 /nfs/dbraw/zinc/31/68/23/888316823.db2.gz SEHHPIVLAWVFOY-VIFPVBQESA-N 2 2 283.332 -2.225 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001382268062 888316999 /nfs/dbraw/zinc/31/69/99/888316999.db2.gz SJQLKVIRIIWPII-KOLCDFICSA-N 2 2 295.343 -2.082 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382266903 888317313 /nfs/dbraw/zinc/31/73/13/888317313.db2.gz NDUNUMVGAMPSPI-IUCAKERBSA-N 2 2 283.332 -2.097 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382272914 888325419 /nfs/dbraw/zinc/32/54/19/888325419.db2.gz HKEQEHTYBFDXHQ-NXEZZACHSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382272919 888325799 /nfs/dbraw/zinc/32/57/99/888325799.db2.gz HKEQEHTYBFDXHQ-VHSXEESVSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001382415360 888352021 /nfs/dbraw/zinc/35/20/21/888352021.db2.gz VGQPPGUSOZLKHH-MNOVXSKESA-N 2 2 297.359 -1.444 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001382430361 888357892 /nfs/dbraw/zinc/35/78/92/888357892.db2.gz ZMDNELOEEDLMMK-BDAKNGLRSA-N 2 2 283.332 -1.765 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389478552 888548533 /nfs/dbraw/zinc/54/85/33/888548533.db2.gz JHSYYUUBMANIMR-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389478552 888548542 /nfs/dbraw/zinc/54/85/42/888548542.db2.gz JHSYYUUBMANIMR-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001391225668 888619648 /nfs/dbraw/zinc/61/96/48/888619648.db2.gz JTCDDCOBARHNGJ-SECBINFHSA-N 2 2 296.331 -1.486 20 0 CAADLP C[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001391225672 888620093 /nfs/dbraw/zinc/62/00/93/888620093.db2.gz JTCDDCOBARHNGJ-VIFPVBQESA-N 2 2 296.331 -1.486 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001391458817 888630818 /nfs/dbraw/zinc/63/08/18/888630818.db2.gz IXYIGUZYNVGWHZ-LBPRGKRZSA-N 2 2 282.344 -1.001 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001391511658 888635672 /nfs/dbraw/zinc/63/56/72/888635672.db2.gz AZWYUDTVCROWSU-LBPRGKRZSA-N 2 2 282.344 -1.062 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392158825 888665613 /nfs/dbraw/zinc/66/56/13/888665613.db2.gz JNGKCVAKTVKLGX-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001392360582 888680099 /nfs/dbraw/zinc/68/00/99/888680099.db2.gz FHDIFPMSYXDXMQ-GHMZBOCLSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001392360582 888680109 /nfs/dbraw/zinc/68/01/09/888680109.db2.gz FHDIFPMSYXDXMQ-GHMZBOCLSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001392360585 888681240 /nfs/dbraw/zinc/68/12/40/888681240.db2.gz FHDIFPMSYXDXMQ-QWRGUYRKSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001392360585 888681248 /nfs/dbraw/zinc/68/12/48/888681248.db2.gz FHDIFPMSYXDXMQ-QWRGUYRKSA-N 2 2 296.375 -1.226 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001392381555 888690165 /nfs/dbraw/zinc/69/01/65/888690165.db2.gz JTSWLDSOMSVUDF-DJLDLDEBSA-N 2 2 281.316 -1.935 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001392412283 888701267 /nfs/dbraw/zinc/70/12/67/888701267.db2.gz VGESSBOHRLMWRE-ZJUUUORDSA-N 2 2 297.359 -1.504 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392409918 888702219 /nfs/dbraw/zinc/70/22/19/888702219.db2.gz NMTBTWKMDSJPGZ-RKDXNWHRSA-N 2 2 283.332 -1.847 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001392414279 888703162 /nfs/dbraw/zinc/70/31/62/888703162.db2.gz AEOKATGMWMNDPU-SNVBAGLBSA-N 2 2 297.359 -1.584 20 0 CAADLP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392429167 888705519 /nfs/dbraw/zinc/70/55/19/888705519.db2.gz PDUXFMUWUVTRBX-LLVKDONJSA-N 2 2 292.343 -1.117 20 0 CAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392426689 888705714 /nfs/dbraw/zinc/70/57/14/888705714.db2.gz LBVYUKIPLBEFOP-MNOVXSKESA-N 2 2 295.343 -1.820 20 0 CAADLP O=C(C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)NC1CC1 ZINC001392430424 888707744 /nfs/dbraw/zinc/70/77/44/888707744.db2.gz RBGPLKBEQUUYIK-LLVKDONJSA-N 2 2 295.343 -1.772 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[NH+]1CCCC1 ZINC001392613088 888726450 /nfs/dbraw/zinc/72/64/50/888726450.db2.gz IWNMPVJSNPPMEH-JTQLQIEISA-N 2 2 296.375 -1.202 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242855 888761166 /nfs/dbraw/zinc/76/11/66/888761166.db2.gz NDFZFFBTMXJFMS-AAEUAGOBSA-N 2 2 289.351 -1.161 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242855 888761175 /nfs/dbraw/zinc/76/11/75/888761175.db2.gz NDFZFFBTMXJFMS-AAEUAGOBSA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393242855 888761185 /nfs/dbraw/zinc/76/11/85/888761185.db2.gz NDFZFFBTMXJFMS-AAEUAGOBSA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393242855 888761194 /nfs/dbraw/zinc/76/11/94/888761194.db2.gz NDFZFFBTMXJFMS-AAEUAGOBSA-N 2 2 289.351 -1.161 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242858 888764948 /nfs/dbraw/zinc/76/49/48/888764948.db2.gz NDFZFFBTMXJFMS-YPMHNXCESA-N 2 2 289.351 -1.161 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242858 888764955 /nfs/dbraw/zinc/76/49/55/888764955.db2.gz NDFZFFBTMXJFMS-YPMHNXCESA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393242858 888764970 /nfs/dbraw/zinc/76/49/70/888764970.db2.gz NDFZFFBTMXJFMS-YPMHNXCESA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393242858 888764977 /nfs/dbraw/zinc/76/49/77/888764977.db2.gz NDFZFFBTMXJFMS-YPMHNXCESA-N 2 2 289.351 -1.161 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393289977 888771404 /nfs/dbraw/zinc/77/14/04/888771404.db2.gz HHJXGFNMAQPEIN-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393289977 888771414 /nfs/dbraw/zinc/77/14/14/888771414.db2.gz HHJXGFNMAQPEIN-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393582561 888793723 /nfs/dbraw/zinc/79/37/23/888793723.db2.gz IYYYOCQGXAZIAT-JTQLQIEISA-N 2 2 295.343 -1.485 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393667659 888798395 /nfs/dbraw/zinc/79/83/95/888798395.db2.gz HCOCIVULRVYPOY-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393667653 888799592 /nfs/dbraw/zinc/79/95/92/888799592.db2.gz HCOCIVULRVYPOY-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393844660 888806423 /nfs/dbraw/zinc/80/64/23/888806423.db2.gz SHQHFQWBFHUSNN-LLVKDONJSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001393844660 888806430 /nfs/dbraw/zinc/80/64/30/888806430.db2.gz SHQHFQWBFHUSNN-LLVKDONJSA-N 2 2 298.387 -1.491 20 0 CAADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001394048082 888814853 /nfs/dbraw/zinc/81/48/53/888814853.db2.gz OXQNULXEYODITP-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001394048082 888814854 /nfs/dbraw/zinc/81/48/54/888814854.db2.gz OXQNULXEYODITP-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394048082 888814855 /nfs/dbraw/zinc/81/48/55/888814855.db2.gz OXQNULXEYODITP-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP C[NH+](C)CCCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394158163 888823998 /nfs/dbraw/zinc/82/39/98/888823998.db2.gz ROSIXMUMNXAYMB-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001394579008 888845253 /nfs/dbraw/zinc/84/52/53/888845253.db2.gz NBLOGUYYOZZFIA-QWRGUYRKSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001394579008 888845265 /nfs/dbraw/zinc/84/52/65/888845265.db2.gz NBLOGUYYOZZFIA-QWRGUYRKSA-N 2 2 296.375 -1.226 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001394615063 888860462 /nfs/dbraw/zinc/86/04/62/888860462.db2.gz MLZIJBWJCCHFDR-MNOVXSKESA-N 2 2 297.359 -1.526 20 0 CAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CCO)c[nH+]1 ZINC001394622333 888863543 /nfs/dbraw/zinc/86/35/43/888863543.db2.gz UMPWICPHBAXQHD-LLVKDONJSA-N 2 2 284.360 -1.014 20 0 CAADLP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394641720 888869639 /nfs/dbraw/zinc/86/96/39/888869639.db2.gz GAHSXFALKMDTNN-RKDXNWHRSA-N 2 2 283.332 -1.717 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001394647837 888874585 /nfs/dbraw/zinc/87/45/85/888874585.db2.gz UIRIJGJVUZJJSX-JTQLQIEISA-N 2 2 288.348 -2.739 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001394647838 888875787 /nfs/dbraw/zinc/87/57/87/888875787.db2.gz UIRIJGJVUZJJSX-SNVBAGLBSA-N 2 2 288.348 -2.739 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001394659346 888878332 /nfs/dbraw/zinc/87/83/32/888878332.db2.gz QOMLNGQHBGIRQD-ZJUUUORDSA-N 2 2 281.316 -2.162 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001398337430 888993893 /nfs/dbraw/zinc/99/38/93/888993893.db2.gz UGCMGDRGUWHAIH-VIFPVBQESA-N 2 2 285.348 -1.677 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001398337430 888993903 /nfs/dbraw/zinc/99/39/03/888993903.db2.gz UGCMGDRGUWHAIH-VIFPVBQESA-N 2 2 285.348 -1.677 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CC(N)=O ZINC001399647336 889054658 /nfs/dbraw/zinc/05/46/58/889054658.db2.gz PXPHQNDOYMLIKF-LLVKDONJSA-N 2 2 286.376 -1.512 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001399647336 889054668 /nfs/dbraw/zinc/05/46/68/889054668.db2.gz PXPHQNDOYMLIKF-LLVKDONJSA-N 2 2 286.376 -1.512 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CC(N)=O ZINC001399647362 889056384 /nfs/dbraw/zinc/05/63/84/889056384.db2.gz PXPHQNDOYMLIKF-NSHDSACASA-N 2 2 286.376 -1.512 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CC(N)=O ZINC001399647362 889056395 /nfs/dbraw/zinc/05/63/95/889056395.db2.gz PXPHQNDOYMLIKF-NSHDSACASA-N 2 2 286.376 -1.512 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001399864652 889071813 /nfs/dbraw/zinc/07/18/13/889071813.db2.gz HBHKXJPJSBSWHS-LBPRGKRZSA-N 2 2 298.387 -1.225 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001399864652 889071827 /nfs/dbraw/zinc/07/18/27/889071827.db2.gz HBHKXJPJSBSWHS-LBPRGKRZSA-N 2 2 298.387 -1.225 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001400531053 889111584 /nfs/dbraw/zinc/11/15/84/889111584.db2.gz SKAHUMMQAASDQU-NSHDSACASA-N 2 2 298.387 -1.370 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001401550645 889153104 /nfs/dbraw/zinc/15/31/04/889153104.db2.gz YRORYWCBGBRUEN-ONGXEEELSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001401548335 889153858 /nfs/dbraw/zinc/15/38/58/889153858.db2.gz IQEKZZJKCOOXGK-SNVBAGLBSA-N 2 2 283.332 -1.845 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001401548335 889153872 /nfs/dbraw/zinc/15/38/72/889153872.db2.gz IQEKZZJKCOOXGK-SNVBAGLBSA-N 2 2 283.332 -1.845 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001401561955 889156033 /nfs/dbraw/zinc/15/60/33/889156033.db2.gz IFBFVWWXVZRBOI-NSHDSACASA-N 2 2 297.359 -1.835 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001401564885 889157440 /nfs/dbraw/zinc/15/74/40/889157440.db2.gz CBQLTVUWNGIOCA-SECBINFHSA-N 2 2 283.332 -1.845 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001401557877 889158031 /nfs/dbraw/zinc/15/80/31/889158031.db2.gz PHLGXPBIOFLUCB-OPRDCNLKSA-N 2 2 295.343 -1.924 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001401561947 889158097 /nfs/dbraw/zinc/15/80/97/889158097.db2.gz IFBFVWWXVZRBOI-LLVKDONJSA-N 2 2 297.359 -1.835 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001401557823 889158195 /nfs/dbraw/zinc/15/81/95/889158195.db2.gz PHLGXPBIOFLUCB-IVZWLZJFSA-N 2 2 295.343 -1.924 20 0 CAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001401572876 889159704 /nfs/dbraw/zinc/15/97/04/889159704.db2.gz SALIXPZIICMBFC-LLVKDONJSA-N 2 2 296.375 -1.522 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001401568208 889160434 /nfs/dbraw/zinc/16/04/34/889160434.db2.gz GQYNJJZPGYOWSM-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001401566663 889160592 /nfs/dbraw/zinc/16/05/92/889160592.db2.gz FSMAPAPVWYMBPI-NEPJUHHUSA-N 2 2 282.344 -1.014 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001401573679 889160696 /nfs/dbraw/zinc/16/06/96/889160696.db2.gz DLFZNTFMXSDVHL-GHMZBOCLSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001401573679 889160705 /nfs/dbraw/zinc/16/07/05/889160705.db2.gz DLFZNTFMXSDVHL-GHMZBOCLSA-N 2 2 297.359 -1.104 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401572143 889161284 /nfs/dbraw/zinc/16/12/84/889161284.db2.gz UWZJCVOWTPOKKM-SECBINFHSA-N 2 2 283.332 -1.927 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001401566673 889161822 /nfs/dbraw/zinc/16/18/22/889161822.db2.gz FSMAPAPVWYMBPI-NWDGAFQWSA-N 2 2 282.344 -1.014 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001401568336 889162115 /nfs/dbraw/zinc/16/21/15/889162115.db2.gz HFAVSVKZOYWOBW-NXEZZACHSA-N 2 2 283.332 -1.916 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001401585180 889163552 /nfs/dbraw/zinc/16/35/52/889163552.db2.gz OPMYCXIMVZONPJ-WDEREUQCSA-N 2 2 297.359 -1.707 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001401585169 889164863 /nfs/dbraw/zinc/16/48/63/889164863.db2.gz OPMYCXIMVZONPJ-MNOVXSKESA-N 2 2 297.359 -1.707 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827846 889187067 /nfs/dbraw/zinc/18/70/67/889187067.db2.gz BHUSWLINRGHADJ-QWRGUYRKSA-N 2 2 284.360 -1.713 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827846 889187085 /nfs/dbraw/zinc/18/70/85/889187085.db2.gz BHUSWLINRGHADJ-QWRGUYRKSA-N 2 2 284.360 -1.713 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402267582 889210646 /nfs/dbraw/zinc/21/06/46/889210646.db2.gz RXUUTMWRCVNMJA-FZMZJTMJSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402267582 889210655 /nfs/dbraw/zinc/21/06/55/889210655.db2.gz RXUUTMWRCVNMJA-FZMZJTMJSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402267582 889210667 /nfs/dbraw/zinc/21/06/67/889210667.db2.gz RXUUTMWRCVNMJA-FZMZJTMJSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402267582 889210681 /nfs/dbraw/zinc/21/06/81/889210681.db2.gz RXUUTMWRCVNMJA-FZMZJTMJSA-N 2 2 298.387 -1.620 20 0 CAADLP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001402330500 889229255 /nfs/dbraw/zinc/22/92/55/889229255.db2.gz APGGHOBEWCLZOJ-GHMZBOCLSA-N 2 2 273.377 -1.130 20 0 CAADLP C[NH+](C)CC1(C(=O)NCC2(O)C[NH+](CCCO)C2)CC1 ZINC001402347367 889234756 /nfs/dbraw/zinc/23/47/56/889234756.db2.gz DCBALVXXKHDWBP-UHFFFAOYSA-N 2 2 285.388 -1.127 20 0 CAADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001402393848 889236793 /nfs/dbraw/zinc/23/67/93/889236793.db2.gz URFYHQYAVKHYDE-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001402393848 889236806 /nfs/dbraw/zinc/23/68/06/889236806.db2.gz URFYHQYAVKHYDE-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1)C(N)=O ZINC001402604163 889252588 /nfs/dbraw/zinc/25/25/88/889252588.db2.gz PTQKLCJWVDBZEA-ZJUUUORDSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873986 889267803 /nfs/dbraw/zinc/26/78/03/889267803.db2.gz VXNXMCGMBQSHBF-WDEREUQCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873986 889267819 /nfs/dbraw/zinc/26/78/19/889267819.db2.gz VXNXMCGMBQSHBF-WDEREUQCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001403128641 889287368 /nfs/dbraw/zinc/28/73/68/889287368.db2.gz DVANECWCESMMRH-QMMMGPOBSA-N 2 2 282.304 -1.828 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001403509452 889305638 /nfs/dbraw/zinc/30/56/38/889305638.db2.gz UJVFEDPRVRQGHK-VIFPVBQESA-N 2 2 285.348 -1.677 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001403509452 889305650 /nfs/dbraw/zinc/30/56/50/889305650.db2.gz UJVFEDPRVRQGHK-VIFPVBQESA-N 2 2 285.348 -1.677 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001403509452 889305662 /nfs/dbraw/zinc/30/56/62/889305662.db2.gz UJVFEDPRVRQGHK-VIFPVBQESA-N 2 2 285.348 -1.677 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001403509452 889305675 /nfs/dbraw/zinc/30/56/75/889305675.db2.gz UJVFEDPRVRQGHK-VIFPVBQESA-N 2 2 285.348 -1.677 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403657826 889334139 /nfs/dbraw/zinc/33/41/39/889334139.db2.gz CHXGXOORFDKMDI-MNOVXSKESA-N 2 2 282.344 -1.496 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668876 889341705 /nfs/dbraw/zinc/34/17/05/889341705.db2.gz VLPDRQKIWGLCEQ-BDAKNGLRSA-N 2 2 274.321 -3.131 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668876 889341700 /nfs/dbraw/zinc/34/17/00/889341700.db2.gz VLPDRQKIWGLCEQ-BDAKNGLRSA-N 2 2 274.321 -3.131 20 0 CAADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001403683328 889345253 /nfs/dbraw/zinc/34/52/53/889345253.db2.gz PAMAOMFXDWEHNT-NWDGAFQWSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001403697370 889349628 /nfs/dbraw/zinc/34/96/28/889349628.db2.gz HUHMVDQJAXUDKD-NEPJUHHUSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001403715182 889355349 /nfs/dbraw/zinc/35/53/49/889355349.db2.gz BEFDVOGEQUGYQB-GXSJLCMTSA-N 2 2 297.359 -1.707 20 0 CAADLP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001403715203 889355462 /nfs/dbraw/zinc/35/54/62/889355462.db2.gz BEFDVOGEQUGYQB-ONGXEEELSA-N 2 2 297.359 -1.707 20 0 CAADLP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001403715198 889357684 /nfs/dbraw/zinc/35/76/84/889357684.db2.gz BEFDVOGEQUGYQB-MWLCHTKSSA-N 2 2 297.359 -1.707 20 0 CAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001403746019 889364018 /nfs/dbraw/zinc/36/40/18/889364018.db2.gz MSKCUWATBJLWSU-JTQLQIEISA-N 2 2 283.332 -1.962 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001403747373 889367559 /nfs/dbraw/zinc/36/75/59/889367559.db2.gz JKJGLKZVCQNZAW-NSHDSACASA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C ZINC001403747373 889367574 /nfs/dbraw/zinc/36/75/74/889367574.db2.gz JKJGLKZVCQNZAW-NSHDSACASA-N 2 2 298.391 -1.278 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001403873895 889377747 /nfs/dbraw/zinc/37/77/47/889377747.db2.gz QDSWZTQIECJNER-NSHDSACASA-N 2 2 297.359 -1.753 20 0 CAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001403862637 889380657 /nfs/dbraw/zinc/38/06/57/889380657.db2.gz AUDRMPFYGFOQIT-ZJUUUORDSA-N 2 2 295.343 -1.750 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001403885295 889384623 /nfs/dbraw/zinc/38/46/23/889384623.db2.gz XYKUTEYZHPCCIS-SCZZXKLOSA-N 2 2 283.332 -1.765 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001405369389 889452014 /nfs/dbraw/zinc/45/20/14/889452014.db2.gz CONRPBNPMXOGDQ-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001405420201 889455982 /nfs/dbraw/zinc/45/59/82/889455982.db2.gz ZTNHSYKEOJOUQH-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405789042 889467625 /nfs/dbraw/zinc/46/76/25/889467625.db2.gz AILXYTIXVDWMMS-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405789042 889467636 /nfs/dbraw/zinc/46/76/36/889467636.db2.gz AILXYTIXVDWMMS-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001406260538 889497929 /nfs/dbraw/zinc/49/79/29/889497929.db2.gz XETXTYJWZOHICE-UWVGGRQHSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001406258422 889499119 /nfs/dbraw/zinc/49/91/19/889499119.db2.gz SJOAAXFVOCIWPO-SNVBAGLBSA-N 2 2 297.359 -1.835 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001406262857 889501346 /nfs/dbraw/zinc/50/13/46/889501346.db2.gz DNMXYQLLRMEUIR-QWRGUYRKSA-N 2 2 297.359 -1.353 20 0 CAADLP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001406271857 889501764 /nfs/dbraw/zinc/50/17/64/889501764.db2.gz CQQPTSCJOLVKTE-LLVKDONJSA-N 2 2 292.343 -1.047 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001406265167 889501844 /nfs/dbraw/zinc/50/18/44/889501844.db2.gz CXJUZSQZJCKZNB-WCBMZHEXSA-N 2 2 283.332 -1.847 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001406262852 889502704 /nfs/dbraw/zinc/50/27/04/889502704.db2.gz DNMXYQLLRMEUIR-GHMZBOCLSA-N 2 2 297.359 -1.353 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001406289309 889506118 /nfs/dbraw/zinc/50/61/18/889506118.db2.gz UZUUWNZVRUXBDK-LLVKDONJSA-N 2 2 297.359 -1.883 20 0 CAADLP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001406313141 889509560 /nfs/dbraw/zinc/50/95/60/889509560.db2.gz IQJGLKOUHZPWHM-LBPRGKRZSA-N 2 2 292.343 -1.117 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406450327 889522657 /nfs/dbraw/zinc/52/26/57/889522657.db2.gz DROJBDSUGIUUNM-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406450327 889522674 /nfs/dbraw/zinc/52/26/74/889522674.db2.gz DROJBDSUGIUUNM-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001407089793 889552534 /nfs/dbraw/zinc/55/25/34/889552534.db2.gz BRBWOVRHGNSEBH-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001407089793 889552537 /nfs/dbraw/zinc/55/25/37/889552537.db2.gz BRBWOVRHGNSEBH-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407089790 889553870 /nfs/dbraw/zinc/55/38/70/889553870.db2.gz BRBWOVRHGNSEBH-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407089790 889553881 /nfs/dbraw/zinc/55/38/81/889553881.db2.gz BRBWOVRHGNSEBH-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389797 889570770 /nfs/dbraw/zinc/57/07/70/889570770.db2.gz YYLAMSAJLQRWEL-AAEUAGOBSA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389797 889570783 /nfs/dbraw/zinc/57/07/83/889570783.db2.gz YYLAMSAJLQRWEL-AAEUAGOBSA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001407488317 889578986 /nfs/dbraw/zinc/57/89/86/889578986.db2.gz NVYKUGYYUPYCNI-LLVKDONJSA-N 2 2 283.372 -1.374 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407473195 889579481 /nfs/dbraw/zinc/57/94/81/889579481.db2.gz TWVOGDSGTDWXNY-NSHDSACASA-N 2 2 271.361 -1.374 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001407488320 889579962 /nfs/dbraw/zinc/57/99/62/889579962.db2.gz NVYKUGYYUPYCNI-NSHDSACASA-N 2 2 283.372 -1.374 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001407671348 889588701 /nfs/dbraw/zinc/58/87/01/889588701.db2.gz JCBGITRGDJTOAN-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407845114 889590688 /nfs/dbraw/zinc/59/06/88/889590688.db2.gz CUNBRVFHMHXRTR-LLVKDONJSA-N 2 2 295.343 -1.554 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001407881889 889593688 /nfs/dbraw/zinc/59/36/88/889593688.db2.gz XOXIBYNOXAVDKU-SECBINFHSA-N 2 2 281.316 -1.746 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001408044964 889598834 /nfs/dbraw/zinc/59/88/34/889598834.db2.gz RBQDMUAXZFHJQN-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP C[N@@H+]1CC[C@@H](CC(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001409748620 889645889 /nfs/dbraw/zinc/64/58/89/889645889.db2.gz YYDDVXOOFCEUCP-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@H+]1CC[C@@H](CC(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001409748620 889645902 /nfs/dbraw/zinc/64/59/02/889645902.db2.gz YYDDVXOOFCEUCP-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001410674212 889699147 /nfs/dbraw/zinc/69/91/47/889699147.db2.gz KAFBHNRAMZNMSO-MNOVXSKESA-N 2 2 282.344 -1.496 20 0 CAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001410748105 889708652 /nfs/dbraw/zinc/70/86/52/889708652.db2.gz FXNSRJSYTIUDHU-JTQLQIEISA-N 2 2 297.359 -1.883 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001410748109 889709400 /nfs/dbraw/zinc/70/94/00/889709400.db2.gz FXNSRJSYTIUDHU-SNVBAGLBSA-N 2 2 297.359 -1.883 20 0 CAADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001410774237 889713410 /nfs/dbraw/zinc/71/34/10/889713410.db2.gz CTLILZZDFVMANZ-GHMZBOCLSA-N 2 2 284.360 -1.200 20 0 CAADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001410774238 889713642 /nfs/dbraw/zinc/71/36/42/889713642.db2.gz CTLILZZDFVMANZ-MNOVXSKESA-N 2 2 284.360 -1.200 20 0 CAADLP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001410827849 889721634 /nfs/dbraw/zinc/72/16/34/889721634.db2.gz WJECVQONMZTMQP-LLVKDONJSA-N 2 2 292.343 -1.117 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411125904 889732507 /nfs/dbraw/zinc/73/25/07/889732507.db2.gz MOOMMRIQHLDWQH-WDEREUQCSA-N 2 2 297.359 -1.574 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001411183282 889742535 /nfs/dbraw/zinc/74/25/35/889742535.db2.gz FGDHJLRCXJFRDU-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001411183282 889742544 /nfs/dbraw/zinc/74/25/44/889742544.db2.gz FGDHJLRCXJFRDU-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210747 890196872 /nfs/dbraw/zinc/19/68/72/890196872.db2.gz HLRWAQHEGHYNHZ-NXEZZACHSA-N 2 2 281.364 -1.101 20 0 CAADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210747 890196877 /nfs/dbraw/zinc/19/68/77/890196877.db2.gz HLRWAQHEGHYNHZ-NXEZZACHSA-N 2 2 281.364 -1.101 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210752 890197354 /nfs/dbraw/zinc/19/73/54/890197354.db2.gz HLRWAQHEGHYNHZ-VHSXEESVSA-N 2 2 281.364 -1.101 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210752 890197363 /nfs/dbraw/zinc/19/73/63/890197363.db2.gz HLRWAQHEGHYNHZ-VHSXEESVSA-N 2 2 281.364 -1.101 20 0 CAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418324416 890206430 /nfs/dbraw/zinc/20/64/30/890206430.db2.gz ZVBMCMLWYYZOEG-VIFPVBQESA-N 2 2 296.331 -1.567 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418689176 890253730 /nfs/dbraw/zinc/25/37/30/890253730.db2.gz XYGSQNUPWYOTSL-JTQLQIEISA-N 2 2 279.344 -1.114 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418689176 890253740 /nfs/dbraw/zinc/25/37/40/890253740.db2.gz XYGSQNUPWYOTSL-JTQLQIEISA-N 2 2 279.344 -1.114 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747796 890258862 /nfs/dbraw/zinc/25/88/62/890258862.db2.gz HKZGPOJVDXIOFQ-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747796 890258875 /nfs/dbraw/zinc/25/88/75/890258875.db2.gz HKZGPOJVDXIOFQ-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001418747796 890258886 /nfs/dbraw/zinc/25/88/86/890258886.db2.gz HKZGPOJVDXIOFQ-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001418747796 890258898 /nfs/dbraw/zinc/25/88/98/890258898.db2.gz HKZGPOJVDXIOFQ-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747802 890259352 /nfs/dbraw/zinc/25/93/52/890259352.db2.gz HKZGPOJVDXIOFQ-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747802 890259365 /nfs/dbraw/zinc/25/93/65/890259365.db2.gz HKZGPOJVDXIOFQ-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001418747802 890259383 /nfs/dbraw/zinc/25/93/83/890259383.db2.gz HKZGPOJVDXIOFQ-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001418747802 890259397 /nfs/dbraw/zinc/25/93/97/890259397.db2.gz HKZGPOJVDXIOFQ-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001419130251 890306344 /nfs/dbraw/zinc/30/63/44/890306344.db2.gz HKXRCLKBSJDKBQ-GFCCVEGCSA-N 2 2 299.419 -1.454 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001419127189 890306857 /nfs/dbraw/zinc/30/68/57/890306857.db2.gz WJHHUFMTVDZHHW-UHFFFAOYSA-N 2 2 295.387 -1.082 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001420142789 890398520 /nfs/dbraw/zinc/39/85/20/890398520.db2.gz ISCSCJKJWJYWFJ-UWVGGRQHSA-N 2 2 295.343 -2.003 20 0 CAADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001420150593 890402549 /nfs/dbraw/zinc/40/25/49/890402549.db2.gz VPXOENLHNQKXDH-SNVBAGLBSA-N 2 2 285.348 -1.104 20 0 CAADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001420168014 890406013 /nfs/dbraw/zinc/40/60/13/890406013.db2.gz IUHYWMHFTQKOCA-VIFPVBQESA-N 2 2 296.331 -1.438 20 0 CAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001420177337 890406220 /nfs/dbraw/zinc/40/62/20/890406220.db2.gz JWIMIZZAADTXDA-WDEREUQCSA-N 2 2 295.343 -1.750 20 0 CAADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001420168010 890406247 /nfs/dbraw/zinc/40/62/47/890406247.db2.gz IUHYWMHFTQKOCA-SECBINFHSA-N 2 2 296.331 -1.438 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177373 890407595 /nfs/dbraw/zinc/40/75/95/890407595.db2.gz WVKFBVXNILNAPU-CMPLNLGQSA-N 2 2 297.359 -1.022 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177373 890407599 /nfs/dbraw/zinc/40/75/99/890407599.db2.gz WVKFBVXNILNAPU-CMPLNLGQSA-N 2 2 297.359 -1.022 20 0 CAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001420177335 890407649 /nfs/dbraw/zinc/40/76/49/890407649.db2.gz JWIMIZZAADTXDA-MNOVXSKESA-N 2 2 295.343 -1.750 20 0 CAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001420177334 890408361 /nfs/dbraw/zinc/40/83/61/890408361.db2.gz JWIMIZZAADTXDA-GHMZBOCLSA-N 2 2 295.343 -1.750 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001420189511 890410160 /nfs/dbraw/zinc/41/01/60/890410160.db2.gz DWKYMEUDGWEDLC-KOLCDFICSA-N 2 2 270.333 -1.590 20 0 CAADLP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194776 890410773 /nfs/dbraw/zinc/41/07/73/890410773.db2.gz WWPMWLZNULGTIM-NSHDSACASA-N 2 2 296.375 -1.522 20 0 CAADLP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194775 890412181 /nfs/dbraw/zinc/41/21/81/890412181.db2.gz WWPMWLZNULGTIM-LLVKDONJSA-N 2 2 296.375 -1.522 20 0 CAADLP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420201436 890413516 /nfs/dbraw/zinc/41/35/16/890413516.db2.gz DKPYZBKYKFIKRI-QWRGUYRKSA-N 2 2 270.333 -1.015 20 0 CAADLP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420208273 890413775 /nfs/dbraw/zinc/41/37/75/890413775.db2.gz UUFALXODYOHTGH-SNVBAGLBSA-N 2 2 293.331 -1.722 20 0 CAADLP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420204372 890414276 /nfs/dbraw/zinc/41/42/76/890414276.db2.gz JBWVLAPTEXMOCJ-NSHDSACASA-N 2 2 297.359 -1.526 20 0 CAADLP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420201431 890414569 /nfs/dbraw/zinc/41/45/69/890414569.db2.gz DKPYZBKYKFIKRI-MNOVXSKESA-N 2 2 270.333 -1.015 20 0 CAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420208272 890414704 /nfs/dbraw/zinc/41/47/04/890414704.db2.gz UUFALXODYOHTGH-JTQLQIEISA-N 2 2 293.331 -1.722 20 0 CAADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420201438 890415670 /nfs/dbraw/zinc/41/56/70/890415670.db2.gz DKPYZBKYKFIKRI-WDEREUQCSA-N 2 2 270.333 -1.015 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420283465 890424539 /nfs/dbraw/zinc/42/45/39/890424539.db2.gz XARKUARBTRYVRZ-GHMZBOCLSA-N 2 2 286.376 -1.453 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420283465 890424549 /nfs/dbraw/zinc/42/45/49/890424549.db2.gz XARKUARBTRYVRZ-GHMZBOCLSA-N 2 2 286.376 -1.453 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420283468 890426479 /nfs/dbraw/zinc/42/64/79/890426479.db2.gz XARKUARBTRYVRZ-MNOVXSKESA-N 2 2 286.376 -1.453 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420283468 890426490 /nfs/dbraw/zinc/42/64/90/890426490.db2.gz XARKUARBTRYVRZ-MNOVXSKESA-N 2 2 286.376 -1.453 20 0 CAADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001420383562 890436105 /nfs/dbraw/zinc/43/61/05/890436105.db2.gz BIHLWJOXCGGIQP-BDAKNGLRSA-N 2 2 296.331 -1.439 20 0 CAADLP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001420383564 890437452 /nfs/dbraw/zinc/43/74/52/890437452.db2.gz BIHLWJOXCGGIQP-RKDXNWHRSA-N 2 2 296.331 -1.439 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420460531 890444254 /nfs/dbraw/zinc/44/42/54/890444254.db2.gz VLAINDJMXICUSC-VHSXEESVSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420460531 890444262 /nfs/dbraw/zinc/44/42/62/890444262.db2.gz VLAINDJMXICUSC-VHSXEESVSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420460022 890445359 /nfs/dbraw/zinc/44/53/59/890445359.db2.gz FULOANFUNVXLOY-VIFPVBQESA-N 2 2 296.331 -1.438 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001420504562 890447497 /nfs/dbraw/zinc/44/74/97/890447497.db2.gz HWESWEYYRDZDKS-QMMMGPOBSA-N 2 2 296.331 -1.748 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420509703 890450060 /nfs/dbraw/zinc/45/00/60/890450060.db2.gz FQDCDHIKCYPRGY-VHSXEESVSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420509703 890450071 /nfs/dbraw/zinc/45/00/71/890450071.db2.gz FQDCDHIKCYPRGY-VHSXEESVSA-N 2 2 296.375 -1.346 20 0 CAADLP CN(CCN1CC[NH+](CCO)CC1)C(=O)Cn1cc[nH+]c1 ZINC001420908078 890471413 /nfs/dbraw/zinc/47/14/13/890471413.db2.gz QGOKCMYJMOEMEH-UHFFFAOYSA-N 2 2 295.387 -1.049 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421388083 890502718 /nfs/dbraw/zinc/50/27/18/890502718.db2.gz LAQYPRMAXYDKHP-AWEZNQCLSA-N 2 2 298.387 -1.619 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421388083 890502730 /nfs/dbraw/zinc/50/27/30/890502730.db2.gz LAQYPRMAXYDKHP-AWEZNQCLSA-N 2 2 298.387 -1.619 20 0 CAADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001421808434 890534179 /nfs/dbraw/zinc/53/41/79/890534179.db2.gz MXPVTRIWDBIGFX-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001421808434 890534189 /nfs/dbraw/zinc/53/41/89/890534189.db2.gz MXPVTRIWDBIGFX-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001421812393 890534893 /nfs/dbraw/zinc/53/48/93/890534893.db2.gz AJDAEKLQYWICSU-NSHDSACASA-N 2 2 295.343 -1.485 20 0 CAADLP C[C@H]([NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001421825120 890535660 /nfs/dbraw/zinc/53/56/60/890535660.db2.gz JRPMDCKZNMDRRO-QWRGUYRKSA-N 2 2 295.343 -1.426 20 0 CAADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001421808429 890536260 /nfs/dbraw/zinc/53/62/60/890536260.db2.gz MXPVTRIWDBIGFX-GFCCVEGCSA-N 2 2 271.361 -1.109 20 0 CAADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001421982070 890541889 /nfs/dbraw/zinc/54/18/89/890541889.db2.gz NRLANVZZXJETRL-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001422353981 890580457 /nfs/dbraw/zinc/58/04/57/890580457.db2.gz WRPNIMKYGOKXFB-ZJUUUORDSA-N 2 2 283.332 -1.786 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001422379090 890585423 /nfs/dbraw/zinc/58/54/23/890585423.db2.gz XSYUZNPEYAOJTM-MWLCHTKSSA-N 2 2 297.359 -1.504 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001422410155 890590444 /nfs/dbraw/zinc/59/04/44/890590444.db2.gz XYLYWLPCXIEOPL-SNVBAGLBSA-N 2 2 283.332 -2.095 20 0 CAADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001422858751 890617623 /nfs/dbraw/zinc/61/76/23/890617623.db2.gz RXKMQJZJSSCMOU-VHSXEESVSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001423246258 890651347 /nfs/dbraw/zinc/65/13/47/890651347.db2.gz NSWDSBBNNGOGLZ-NXEZZACHSA-N 2 2 297.359 -1.707 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001423285563 890659820 /nfs/dbraw/zinc/65/98/20/890659820.db2.gz HSFADRDQHJUJPP-VHSXEESVSA-N 2 2 295.343 -1.784 20 0 CAADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001423293926 890661199 /nfs/dbraw/zinc/66/11/99/890661199.db2.gz JRFJPBYJNXKNRS-NXEZZACHSA-N 2 2 270.333 -1.590 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001423307386 890663800 /nfs/dbraw/zinc/66/38/00/890663800.db2.gz HAOPFLTUXQDYNT-QWRGUYRKSA-N 2 2 297.359 -1.574 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001423307383 890664322 /nfs/dbraw/zinc/66/43/22/890664322.db2.gz HAOPFLTUXQDYNT-MNOVXSKESA-N 2 2 297.359 -1.574 20 0 CAADLP C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001423465570 890677749 /nfs/dbraw/zinc/67/77/49/890677749.db2.gz KCOSKQSIIIIXSU-WDEREUQCSA-N 2 2 297.359 -1.272 20 0 CAADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC001423542722 890684315 /nfs/dbraw/zinc/68/43/15/890684315.db2.gz WAONINLPSIIIHT-GFCCVEGCSA-N 2 2 284.360 -1.294 20 0 CAADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC001423542722 890684318 /nfs/dbraw/zinc/68/43/18/890684318.db2.gz WAONINLPSIIIHT-GFCCVEGCSA-N 2 2 284.360 -1.294 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802551 890696860 /nfs/dbraw/zinc/69/68/60/890696860.db2.gz ROELEGYEELETCJ-RISCZKNCSA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802551 890696876 /nfs/dbraw/zinc/69/68/76/890696876.db2.gz ROELEGYEELETCJ-RISCZKNCSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001423773663 890698422 /nfs/dbraw/zinc/69/84/22/890698422.db2.gz LCNNQIRUIHVYKE-SMDDNHRTSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001423773663 890698428 /nfs/dbraw/zinc/69/84/28/890698428.db2.gz LCNNQIRUIHVYKE-SMDDNHRTSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001423773663 890698434 /nfs/dbraw/zinc/69/84/34/890698434.db2.gz LCNNQIRUIHVYKE-SMDDNHRTSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001423773663 890698443 /nfs/dbraw/zinc/69/84/43/890698443.db2.gz LCNNQIRUIHVYKE-SMDDNHRTSA-N 2 2 298.387 -1.491 20 0 CAADLP NC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001424430634 890733675 /nfs/dbraw/zinc/73/36/75/890733675.db2.gz XSJDIAICQASWAQ-UHFFFAOYSA-N 2 2 295.343 -1.308 20 0 CAADLP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001425351723 890770514 /nfs/dbraw/zinc/77/05/14/890770514.db2.gz OZGISFLEWQCOLR-RTCCRHLQSA-N 2 2 277.328 -1.338 20 0 CAADLP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001425351723 890770527 /nfs/dbraw/zinc/77/05/27/890770527.db2.gz OZGISFLEWQCOLR-RTCCRHLQSA-N 2 2 277.328 -1.338 20 0 CAADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001425363025 890773840 /nfs/dbraw/zinc/77/38/40/890773840.db2.gz OYPLKKNUCVZLCO-GXSJLCMTSA-N 2 2 295.343 -1.357 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425738381 890808127 /nfs/dbraw/zinc/80/81/27/890808127.db2.gz RYMZHWBJQWMPKH-UWVGGRQHSA-N 2 2 288.348 -2.870 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425738381 890808133 /nfs/dbraw/zinc/80/81/33/890808133.db2.gz RYMZHWBJQWMPKH-UWVGGRQHSA-N 2 2 288.348 -2.870 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425776887 890816397 /nfs/dbraw/zinc/81/63/97/890816397.db2.gz PNVQKOQHULUSOS-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001425772755 890817570 /nfs/dbraw/zinc/81/75/70/890817570.db2.gz RQJUCMRACHLCFF-WDEREUQCSA-N 2 2 286.376 -1.717 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001425772755 890817578 /nfs/dbraw/zinc/81/75/78/890817578.db2.gz RQJUCMRACHLCFF-WDEREUQCSA-N 2 2 286.376 -1.717 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425782692 890818196 /nfs/dbraw/zinc/81/81/96/890818196.db2.gz LATYQHWZOJWDRA-NSHDSACASA-N 2 2 297.359 -1.606 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425776881 890819331 /nfs/dbraw/zinc/81/93/31/890819331.db2.gz PNVQKOQHULUSOS-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001425821353 890823722 /nfs/dbraw/zinc/82/37/22/890823722.db2.gz NLZLBXPKPFSWNN-JTQLQIEISA-N 2 2 297.359 -1.442 20 0 CAADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001425821360 890826284 /nfs/dbraw/zinc/82/62/84/890826284.db2.gz NLZLBXPKPFSWNN-SNVBAGLBSA-N 2 2 297.359 -1.442 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001425840634 890829364 /nfs/dbraw/zinc/82/93/64/890829364.db2.gz NYPHVEMYSKPKRU-GFCCVEGCSA-N 2 2 296.375 -1.522 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425846399 890832302 /nfs/dbraw/zinc/83/23/02/890832302.db2.gz ILRQELJLYQCADJ-JTQLQIEISA-N 2 2 283.332 -1.914 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001425998936 890840990 /nfs/dbraw/zinc/84/09/90/890840990.db2.gz FTTFXYXHBWZUEN-GXSJLCMTSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001425998936 890840996 /nfs/dbraw/zinc/84/09/96/890840996.db2.gz FTTFXYXHBWZUEN-GXSJLCMTSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001426022381 890843477 /nfs/dbraw/zinc/84/34/77/890843477.db2.gz GFGFWTRGISTFBS-ZJUUUORDSA-N 2 2 270.333 -1.258 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001426032431 890843778 /nfs/dbraw/zinc/84/37/78/890843778.db2.gz JRBUNSXUDHASQI-MWLCHTKSSA-N 2 2 297.359 -1.518 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001426032431 890843794 /nfs/dbraw/zinc/84/37/94/890843794.db2.gz JRBUNSXUDHASQI-MWLCHTKSSA-N 2 2 297.359 -1.518 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001426027552 890845726 /nfs/dbraw/zinc/84/57/26/890845726.db2.gz ZZGFBTUKCNLJHU-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001436743258 891155954 /nfs/dbraw/zinc/15/59/54/891155954.db2.gz CQITWRSYAVDIGV-JTQLQIEISA-N 2 2 299.375 -1.288 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001436743258 891155961 /nfs/dbraw/zinc/15/59/61/891155961.db2.gz CQITWRSYAVDIGV-JTQLQIEISA-N 2 2 299.375 -1.288 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001436743258 891155969 /nfs/dbraw/zinc/15/59/69/891155969.db2.gz CQITWRSYAVDIGV-JTQLQIEISA-N 2 2 299.375 -1.288 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001436743258 891155975 /nfs/dbraw/zinc/15/59/75/891155975.db2.gz CQITWRSYAVDIGV-JTQLQIEISA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001437235861 891171421 /nfs/dbraw/zinc/17/14/21/891171421.db2.gz KNUVNBJSBCFJAR-GXSJLCMTSA-N 2 2 279.344 -1.055 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001437235864 891172009 /nfs/dbraw/zinc/17/20/09/891172009.db2.gz KNUVNBJSBCFJAR-MWLCHTKSSA-N 2 2 279.344 -1.055 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438134488 891205248 /nfs/dbraw/zinc/20/52/48/891205248.db2.gz OHYIQZXUOWSHQF-SECBINFHSA-N 2 2 299.375 -1.431 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438134491 891207777 /nfs/dbraw/zinc/20/77/77/891207777.db2.gz OHYIQZXUOWSHQF-VIFPVBQESA-N 2 2 299.375 -1.431 20 0 CAADLP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001438231425 891213040 /nfs/dbraw/zinc/21/30/40/891213040.db2.gz MVLHNAWDXSXHSP-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438231425 891213052 /nfs/dbraw/zinc/21/30/52/891213052.db2.gz MVLHNAWDXSXHSP-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001438459258 891216932 /nfs/dbraw/zinc/21/69/32/891216932.db2.gz WYQHBOWSNPHUCT-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001438459258 891216945 /nfs/dbraw/zinc/21/69/45/891216945.db2.gz WYQHBOWSNPHUCT-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001438992043 891258374 /nfs/dbraw/zinc/25/83/74/891258374.db2.gz HNENFVGZVQADCK-GXSJLCMTSA-N 2 2 297.359 -1.457 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001438992043 891258390 /nfs/dbraw/zinc/25/83/90/891258390.db2.gz HNENFVGZVQADCK-GXSJLCMTSA-N 2 2 297.359 -1.457 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001439065006 891279180 /nfs/dbraw/zinc/27/91/80/891279180.db2.gz YZJOAKXNADKDDF-LLVKDONJSA-N 2 2 285.348 -1.024 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001439065006 891279201 /nfs/dbraw/zinc/27/92/01/891279201.db2.gz YZJOAKXNADKDDF-LLVKDONJSA-N 2 2 285.348 -1.024 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439049128 891279289 /nfs/dbraw/zinc/27/92/89/891279289.db2.gz RLKFVYRPBMDCTA-ONGXEEELSA-N 2 2 297.359 -1.836 20 0 CAADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001439103361 891283815 /nfs/dbraw/zinc/28/38/15/891283815.db2.gz RFTCVJNUJJURQB-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001439103361 891283830 /nfs/dbraw/zinc/28/38/30/891283830.db2.gz RFTCVJNUJJURQB-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001439985248 891336243 /nfs/dbraw/zinc/33/62/43/891336243.db2.gz TUOKBSRJHWCCQK-GXFFZTMASA-N 2 2 284.360 -1.881 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001439985248 891336259 /nfs/dbraw/zinc/33/62/59/891336259.db2.gz TUOKBSRJHWCCQK-GXFFZTMASA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001439985248 891336277 /nfs/dbraw/zinc/33/62/77/891336277.db2.gz TUOKBSRJHWCCQK-GXFFZTMASA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001439985248 891336296 /nfs/dbraw/zinc/33/62/96/891336296.db2.gz TUOKBSRJHWCCQK-GXFFZTMASA-N 2 2 284.360 -1.881 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005395 891340461 /nfs/dbraw/zinc/34/04/61/891340461.db2.gz GRFZAFDWYKHEEX-MFKMUULPSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005395 891340477 /nfs/dbraw/zinc/34/04/77/891340477.db2.gz GRFZAFDWYKHEEX-MFKMUULPSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017442 891341926 /nfs/dbraw/zinc/34/19/26/891341926.db2.gz QKHJWMURELIEHG-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017442 891341942 /nfs/dbraw/zinc/34/19/42/891341942.db2.gz QKHJWMURELIEHG-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001440017442 891341959 /nfs/dbraw/zinc/34/19/59/891341959.db2.gz QKHJWMURELIEHG-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001440017442 891341976 /nfs/dbraw/zinc/34/19/76/891341976.db2.gz QKHJWMURELIEHG-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005396 891343105 /nfs/dbraw/zinc/34/31/05/891343105.db2.gz GRFZAFDWYKHEEX-ZWNOBZJWSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005396 891343120 /nfs/dbraw/zinc/34/31/20/891343120.db2.gz GRFZAFDWYKHEEX-ZWNOBZJWSA-N 2 2 282.344 -1.114 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001440058905 891349304 /nfs/dbraw/zinc/34/93/04/891349304.db2.gz BASMBKCOLHDKKX-UHFFFAOYSA-N 2 2 282.344 -1.263 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440069553 891353756 /nfs/dbraw/zinc/35/37/56/891353756.db2.gz PSPVYLKALQEWFC-NSHDSACASA-N 2 2 289.376 -1.892 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001440560596 891375437 /nfs/dbraw/zinc/37/54/37/891375437.db2.gz SLINJHGSLHNSEC-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001440848390 891385897 /nfs/dbraw/zinc/38/58/97/891385897.db2.gz IHDRSCZGNMFBEO-DTWKUNHWSA-N 2 2 296.331 -1.439 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001441429577 891412594 /nfs/dbraw/zinc/41/25/94/891412594.db2.gz NBGNOQLHBHXXKP-KYZUINATSA-N 2 2 294.315 -1.685 20 0 CAADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001441609689 891419698 /nfs/dbraw/zinc/41/96/98/891419698.db2.gz QPYREHKAHFCPKS-QMMMGPOBSA-N 2 2 296.331 -1.416 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001441712549 891437318 /nfs/dbraw/zinc/43/73/18/891437318.db2.gz DPCHDFJDRYZKPF-QWRGUYRKSA-N 2 2 282.344 -1.496 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001441742846 891439605 /nfs/dbraw/zinc/43/96/05/891439605.db2.gz GQSGVSDOESWONC-JTQLQIEISA-N 2 2 284.364 -1.368 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001441720002 891439877 /nfs/dbraw/zinc/43/98/77/891439877.db2.gz DBDCZIOKWKHOBE-JTQLQIEISA-N 2 2 283.332 -1.914 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+]CCF ZINC001441755312 891442536 /nfs/dbraw/zinc/44/25/36/891442536.db2.gz PRCCRABPNIRNQE-LLVKDONJSA-N 2 2 277.340 -1.255 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001441745444 891444587 /nfs/dbraw/zinc/44/45/87/891444587.db2.gz CTPAPZILWWTFSO-NSHDSACASA-N 2 2 293.331 -1.689 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441750873 891444673 /nfs/dbraw/zinc/44/46/73/891444673.db2.gz NDAMALDGUSPXKA-MNOVXSKESA-N 2 2 295.343 -1.703 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001441781649 891450803 /nfs/dbraw/zinc/45/08/03/891450803.db2.gz GBCZOVMLUAXNAD-ZJUUUORDSA-N 2 2 297.359 -1.836 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780615 891451644 /nfs/dbraw/zinc/45/16/44/891451644.db2.gz FBQFJMKHLQOWKG-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780615 891451658 /nfs/dbraw/zinc/45/16/58/891451658.db2.gz FBQFJMKHLQOWKG-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441789366 891452162 /nfs/dbraw/zinc/45/21/62/891452162.db2.gz IKYHFECADGIRLJ-VHSXEESVSA-N 2 2 297.363 -2.272 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441789366 891452172 /nfs/dbraw/zinc/45/21/72/891452172.db2.gz IKYHFECADGIRLJ-VHSXEESVSA-N 2 2 297.363 -2.272 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001441781643 891452249 /nfs/dbraw/zinc/45/22/49/891452249.db2.gz GBCZOVMLUAXNAD-VHSXEESVSA-N 2 2 297.359 -1.836 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001441796670 891453994 /nfs/dbraw/zinc/45/39/94/891453994.db2.gz PDHQMOZDSOPCOB-PWSUYJOCSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001441796670 891453998 /nfs/dbraw/zinc/45/39/98/891453998.db2.gz PDHQMOZDSOPCOB-PWSUYJOCSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001441796672 891455375 /nfs/dbraw/zinc/45/53/75/891455375.db2.gz PDHQMOZDSOPCOB-ZYHUDNBSSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001441796672 891455380 /nfs/dbraw/zinc/45/53/80/891455380.db2.gz PDHQMOZDSOPCOB-ZYHUDNBSSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001441796660 891456039 /nfs/dbraw/zinc/45/60/39/891456039.db2.gz PDHQMOZDSOPCOB-CMPLNLGQSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001441796660 891456060 /nfs/dbraw/zinc/45/60/60/891456060.db2.gz PDHQMOZDSOPCOB-CMPLNLGQSA-N 2 2 296.375 -1.667 20 0 CAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001442055186 891478513 /nfs/dbraw/zinc/47/85/13/891478513.db2.gz HDWGVMXPKHOJIA-WDEREUQCSA-N 2 2 295.343 -1.820 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086341 891479579 /nfs/dbraw/zinc/47/95/79/891479579.db2.gz TYJLPZLVCKUNTG-KOLCDFICSA-N 2 2 297.359 -1.423 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086341 891479583 /nfs/dbraw/zinc/47/95/83/891479583.db2.gz TYJLPZLVCKUNTG-KOLCDFICSA-N 2 2 297.359 -1.423 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086349 891479880 /nfs/dbraw/zinc/47/98/80/891479880.db2.gz TYJLPZLVCKUNTG-MWLCHTKSSA-N 2 2 297.359 -1.423 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086349 891479889 /nfs/dbraw/zinc/47/98/89/891479889.db2.gz TYJLPZLVCKUNTG-MWLCHTKSSA-N 2 2 297.359 -1.423 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086330 891480808 /nfs/dbraw/zinc/48/08/08/891480808.db2.gz TYJLPZLVCKUNTG-GXSJLCMTSA-N 2 2 297.359 -1.423 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086330 891480818 /nfs/dbraw/zinc/48/08/18/891480818.db2.gz TYJLPZLVCKUNTG-GXSJLCMTSA-N 2 2 297.359 -1.423 20 0 CAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001442055185 891481422 /nfs/dbraw/zinc/48/14/22/891481422.db2.gz HDWGVMXPKHOJIA-QWRGUYRKSA-N 2 2 295.343 -1.820 20 0 CAADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442374647 891489466 /nfs/dbraw/zinc/48/94/66/891489466.db2.gz LLVFFDNWEDZFEY-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442374647 891489472 /nfs/dbraw/zinc/48/94/72/891489472.db2.gz LLVFFDNWEDZFEY-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442374647 891489478 /nfs/dbraw/zinc/48/94/78/891489478.db2.gz LLVFFDNWEDZFEY-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442374647 891489486 /nfs/dbraw/zinc/48/94/86/891489486.db2.gz LLVFFDNWEDZFEY-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442374648 891491248 /nfs/dbraw/zinc/49/12/48/891491248.db2.gz LLVFFDNWEDZFEY-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001442374648 891491253 /nfs/dbraw/zinc/49/12/53/891491253.db2.gz LLVFFDNWEDZFEY-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001442374648 891491257 /nfs/dbraw/zinc/49/12/57/891491257.db2.gz LLVFFDNWEDZFEY-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001442374648 891491262 /nfs/dbraw/zinc/49/12/62/891491262.db2.gz LLVFFDNWEDZFEY-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP C[NH+]1CCC(OCC(=O)NC2C[NH+](CCO)C2)CC1 ZINC001443525103 891528358 /nfs/dbraw/zinc/52/83/58/891528358.db2.gz RQOYGZYADOHITG-UHFFFAOYSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001443611296 891536089 /nfs/dbraw/zinc/53/60/89/891536089.db2.gz WVBHDVYERQFGFH-UHFFFAOYSA-N 2 2 285.348 -1.819 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001444214094 891560444 /nfs/dbraw/zinc/56/04/44/891560444.db2.gz BYSUZEZPDAQKTP-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001444214091 891560946 /nfs/dbraw/zinc/56/09/46/891560946.db2.gz BYSUZEZPDAQKTP-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001445240313 891621488 /nfs/dbraw/zinc/62/14/88/891621488.db2.gz AUCNMUAJUMTVST-ZJUUUORDSA-N 2 2 283.332 -1.717 20 0 CAADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001445270146 891623050 /nfs/dbraw/zinc/62/30/50/891623050.db2.gz LVMPOFGKZDREDT-LLVKDONJSA-N 2 2 283.332 -1.268 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445265778 891624558 /nfs/dbraw/zinc/62/45/58/891624558.db2.gz ZFTITUHJSUKAMX-ZJUUUORDSA-N 2 2 281.316 -2.093 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445265767 891624688 /nfs/dbraw/zinc/62/46/88/891624688.db2.gz ZFTITUHJSUKAMX-NXEZZACHSA-N 2 2 281.316 -2.093 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001445261305 891625175 /nfs/dbraw/zinc/62/51/75/891625175.db2.gz ZATMVUGLCWNNPS-UWVGGRQHSA-N 2 2 297.359 -1.409 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001445268549 891626448 /nfs/dbraw/zinc/62/64/48/891626448.db2.gz JEVICPREGLUEOO-SNVBAGLBSA-N 2 2 297.363 -2.127 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001445276010 891629622 /nfs/dbraw/zinc/62/96/22/891629622.db2.gz DPZKNSDBTFPJOU-NSHDSACASA-N 2 2 295.343 -1.818 20 0 CAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001445277039 891629906 /nfs/dbraw/zinc/62/99/06/891629906.db2.gz PFSQAAHWJJHVKS-LLVKDONJSA-N 2 2 292.343 -1.047 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445377623 891632442 /nfs/dbraw/zinc/63/24/42/891632442.db2.gz YQYWWYVRZDPCFC-NXEZZACHSA-N 2 2 272.349 -1.843 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445377623 891632449 /nfs/dbraw/zinc/63/24/49/891632449.db2.gz YQYWWYVRZDPCFC-NXEZZACHSA-N 2 2 272.349 -1.843 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445377626 891632485 /nfs/dbraw/zinc/63/24/85/891632485.db2.gz YQYWWYVRZDPCFC-ZJUUUORDSA-N 2 2 272.349 -1.843 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445377626 891632492 /nfs/dbraw/zinc/63/24/92/891632492.db2.gz YQYWWYVRZDPCFC-ZJUUUORDSA-N 2 2 272.349 -1.843 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001445618741 891645656 /nfs/dbraw/zinc/64/56/56/891645656.db2.gz VRMZXDLXOYRIOY-VIFPVBQESA-N 2 2 284.364 -1.346 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001446155954 891666891 /nfs/dbraw/zinc/66/68/91/891666891.db2.gz WXSXMCOSYCJVGX-SECBINFHSA-N 2 2 270.333 -1.959 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001446155954 891666900 /nfs/dbraw/zinc/66/69/00/891666900.db2.gz WXSXMCOSYCJVGX-SECBINFHSA-N 2 2 270.333 -1.959 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446755241 891686436 /nfs/dbraw/zinc/68/64/36/891686436.db2.gz KOJWTBNHXZHYIW-ZDUSSCGKSA-N 2 2 295.343 -1.770 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446755241 891686446 /nfs/dbraw/zinc/68/64/46/891686446.db2.gz KOJWTBNHXZHYIW-ZDUSSCGKSA-N 2 2 295.343 -1.770 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446755237 891686924 /nfs/dbraw/zinc/68/69/24/891686924.db2.gz KOJWTBNHXZHYIW-CYBMUJFWSA-N 2 2 295.343 -1.770 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446755237 891686930 /nfs/dbraw/zinc/68/69/30/891686930.db2.gz KOJWTBNHXZHYIW-CYBMUJFWSA-N 2 2 295.343 -1.770 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446799440 891690202 /nfs/dbraw/zinc/69/02/02/891690202.db2.gz WUVNYWIJDWPJCD-ZDUSSCGKSA-N 2 2 295.343 -1.770 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446799440 891690215 /nfs/dbraw/zinc/69/02/15/891690215.db2.gz WUVNYWIJDWPJCD-ZDUSSCGKSA-N 2 2 295.343 -1.770 20 0 CAADLP O=C(NCC1(O)C[NH+](CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001446833779 891696747 /nfs/dbraw/zinc/69/67/47/891696747.db2.gz KEYUFCYJUULMHH-ZDUSSCGKSA-N 2 2 297.399 -1.127 20 0 CAADLP O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001446833778 891697731 /nfs/dbraw/zinc/69/77/31/891697731.db2.gz KEYUFCYJUULMHH-CYBMUJFWSA-N 2 2 297.399 -1.127 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001446904537 891704301 /nfs/dbraw/zinc/70/43/01/891704301.db2.gz XDIPUWQCAGTKDT-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001446904537 891704310 /nfs/dbraw/zinc/70/43/10/891704310.db2.gz XDIPUWQCAGTKDT-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001447316762 891721687 /nfs/dbraw/zinc/72/16/87/891721687.db2.gz YBAIDNDIZIFCBO-NSHDSACASA-N 2 2 295.343 -1.735 20 0 CAADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC(N)=O ZINC001448750048 891773814 /nfs/dbraw/zinc/77/38/14/891773814.db2.gz LRPRCXVPSKOMLS-QMMMGPOBSA-N 2 2 296.331 -1.416 20 0 CAADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001448902769 891806107 /nfs/dbraw/zinc/80/61/07/891806107.db2.gz FPURUKBVBAXEGD-UWVGGRQHSA-N 2 2 283.332 -1.614 20 0 CAADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001448910149 891808689 /nfs/dbraw/zinc/80/86/89/891808689.db2.gz PAMAOMFXDWEHNT-RYUDHWBXSA-N 2 2 298.391 -1.278 20 0 CAADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001448902621 891808754 /nfs/dbraw/zinc/80/87/54/891808754.db2.gz FPURUKBVBAXEGD-NXEZZACHSA-N 2 2 283.332 -1.614 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001448952491 891814860 /nfs/dbraw/zinc/81/48/60/891814860.db2.gz JIDIIUPFILITBD-NXEZZACHSA-N 2 2 283.332 -1.916 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001448952695 891815404 /nfs/dbraw/zinc/81/54/04/891815404.db2.gz OOABDGHREDBRFZ-QWRGUYRKSA-N 2 2 277.340 -1.257 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001448952695 891815412 /nfs/dbraw/zinc/81/54/12/891815412.db2.gz OOABDGHREDBRFZ-QWRGUYRKSA-N 2 2 277.340 -1.257 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001448950820 891815874 /nfs/dbraw/zinc/81/58/74/891815874.db2.gz GBBZEBLLETWVTK-LBPRGKRZSA-N 2 2 292.343 -1.117 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001448954796 891816809 /nfs/dbraw/zinc/81/68/09/891816809.db2.gz OHVGNVLIJLLIKF-NSHDSACASA-N 2 2 296.375 -1.224 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001449174060 891836081 /nfs/dbraw/zinc/83/60/81/891836081.db2.gz JLDKEJNYSQMPAQ-SNVBAGLBSA-N 2 2 283.332 -1.962 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001449166548 891837453 /nfs/dbraw/zinc/83/74/53/891837453.db2.gz XLJIIABMKIFPCW-MWLCHTKSSA-N 2 2 297.359 -1.755 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001449166549 891839033 /nfs/dbraw/zinc/83/90/33/891839033.db2.gz XLJIIABMKIFPCW-ONGXEEELSA-N 2 2 297.359 -1.755 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001451518083 891916563 /nfs/dbraw/zinc/91/65/63/891916563.db2.gz GSXCAGBMGXWVRX-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666180 892012263 /nfs/dbraw/zinc/01/22/63/892012263.db2.gz XHYKMZUHMVSRNW-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666180 892012279 /nfs/dbraw/zinc/01/22/79/892012279.db2.gz XHYKMZUHMVSRNW-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666180 892012292 /nfs/dbraw/zinc/01/22/92/892012292.db2.gz XHYKMZUHMVSRNW-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666180 892012312 /nfs/dbraw/zinc/01/23/12/892012312.db2.gz XHYKMZUHMVSRNW-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001458013253 892115065 /nfs/dbraw/zinc/11/50/65/892115065.db2.gz IZPFRNZJUWYWIT-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2CC(N)=O)CC1 ZINC001460256417 892144641 /nfs/dbraw/zinc/14/46/41/892144641.db2.gz WECMBBSQVSNGFZ-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2CC(N)=O)CC1 ZINC001460256417 892144646 /nfs/dbraw/zinc/14/46/46/892144646.db2.gz WECMBBSQVSNGFZ-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463398502 892167576 /nfs/dbraw/zinc/16/75/76/892167576.db2.gz SJXAYNPMCCFBIG-LLVKDONJSA-N 2 2 294.421 -1.619 20 0 CAADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463398566 892168564 /nfs/dbraw/zinc/16/85/64/892168564.db2.gz SJXAYNPMCCFBIG-NSHDSACASA-N 2 2 294.421 -1.619 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001471177744 892347750 /nfs/dbraw/zinc/34/77/50/892347750.db2.gz GSFLXRRQJBLDGM-GYSYKLTISA-N 2 2 294.355 -1.009 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CC(N)=O ZINC001479722175 892478460 /nfs/dbraw/zinc/47/84/60/892478460.db2.gz PYYMADSJLCXERL-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[N@H+]1CC(N)=O ZINC001479722175 892478466 /nfs/dbraw/zinc/47/84/66/892478466.db2.gz PYYMADSJLCXERL-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851713 892550229 /nfs/dbraw/zinc/55/02/29/892550229.db2.gz FCRWISMJJYUGOY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851713 892550238 /nfs/dbraw/zinc/55/02/38/892550238.db2.gz FCRWISMJJYUGOY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851713 892550251 /nfs/dbraw/zinc/55/02/51/892550251.db2.gz FCRWISMJJYUGOY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851713 892550264 /nfs/dbraw/zinc/55/02/64/892550264.db2.gz FCRWISMJJYUGOY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001480946979 892562224 /nfs/dbraw/zinc/56/22/24/892562224.db2.gz DPVNWDFBMLZFCU-UHFFFAOYSA-N 2 2 296.331 -1.566 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001480946979 892562241 /nfs/dbraw/zinc/56/22/41/892562241.db2.gz DPVNWDFBMLZFCU-UHFFFAOYSA-N 2 2 296.331 -1.566 20 0 CAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CC(N)=O ZINC001481019137 892575665 /nfs/dbraw/zinc/57/56/65/892575665.db2.gz XJHMGDNZROHLLN-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CC(N)=O ZINC001481019137 892575679 /nfs/dbraw/zinc/57/56/79/892575679.db2.gz XJHMGDNZROHLLN-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)CC(N)=O ZINC001481019137 892575690 /nfs/dbraw/zinc/57/56/90/892575690.db2.gz XJHMGDNZROHLLN-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)CC(N)=O ZINC001481019137 892575700 /nfs/dbraw/zinc/57/57/00/892575700.db2.gz XJHMGDNZROHLLN-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481249880 892590232 /nfs/dbraw/zinc/59/02/32/892590232.db2.gz KJOKDPSKYFZFAC-JTQLQIEISA-N 2 2 279.344 -1.021 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001481304128 892597530 /nfs/dbraw/zinc/59/75/30/892597530.db2.gz JLEQEIZXSWCSPG-UHFFFAOYSA-N 2 2 253.306 -1.504 20 0 CAADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001481303993 892597844 /nfs/dbraw/zinc/59/78/44/892597844.db2.gz FDTZWWVQJIFMFZ-NSHDSACASA-N 2 2 279.344 -1.101 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCOCCO)C1 ZINC001481663170 892620429 /nfs/dbraw/zinc/62/04/29/892620429.db2.gz YEYGAHOFJPRXPB-UHFFFAOYSA-N 2 2 282.344 -1.060 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001481892090 892631138 /nfs/dbraw/zinc/63/11/38/892631138.db2.gz YIEKWZFFTOVDKP-NSHDSACASA-N 2 2 298.387 -1.179 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001481892090 892631146 /nfs/dbraw/zinc/63/11/46/892631146.db2.gz YIEKWZFFTOVDKP-NSHDSACASA-N 2 2 298.387 -1.179 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482743887 892682612 /nfs/dbraw/zinc/68/26/12/892682612.db2.gz LHRMWGSPWCHTOE-MNOVXSKESA-N 2 2 282.344 -1.496 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482740729 892683343 /nfs/dbraw/zinc/68/33/43/892683343.db2.gz CLQUMSGZAUMNTD-SECBINFHSA-N 2 2 291.311 -1.272 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001482743794 892683520 /nfs/dbraw/zinc/68/35/20/892683520.db2.gz JMFRMTPUFVVPBU-RYUDHWBXSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001482771788 892695942 /nfs/dbraw/zinc/69/59/42/892695942.db2.gz LXTLOZHZHXHQTI-LLVKDONJSA-N 2 2 293.331 -1.689 20 0 CAADLP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482772688 892696150 /nfs/dbraw/zinc/69/61/50/892696150.db2.gz IMEVJJXQQGXKFG-LLVKDONJSA-N 2 2 293.331 -1.652 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482798341 892708678 /nfs/dbraw/zinc/70/86/78/892708678.db2.gz BZECDZMHPMODSQ-SNVBAGLBSA-N 2 2 283.332 -1.962 20 0 CAADLP NC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001483100430 892727779 /nfs/dbraw/zinc/72/77/79/892727779.db2.gz HCBWHBGJTXUTJK-UPHRSURJSA-N 2 2 294.315 -1.660 20 0 CAADLP CNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001483100598 892729795 /nfs/dbraw/zinc/72/97/95/892729795.db2.gz KFTSIEUDOCDVRZ-NSCUHMNNSA-N 2 2 265.317 -1.109 20 0 CAADLP CNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001483100597 892730436 /nfs/dbraw/zinc/73/04/36/892730436.db2.gz KFTSIEUDOCDVRZ-IHWYPQMZSA-N 2 2 265.317 -1.109 20 0 CAADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179342 892740220 /nfs/dbraw/zinc/74/02/20/892740220.db2.gz ZFFZPBWIEJRJSW-RKDXNWHRSA-N 2 2 265.317 -1.065 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424300 892763511 /nfs/dbraw/zinc/76/35/11/892763511.db2.gz POBIEKGXBKVDOJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424300 892763520 /nfs/dbraw/zinc/76/35/20/892763520.db2.gz POBIEKGXBKVDOJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)C1 ZINC001483424300 892763532 /nfs/dbraw/zinc/76/35/32/892763532.db2.gz POBIEKGXBKVDOJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)C1 ZINC001483424300 892763542 /nfs/dbraw/zinc/76/35/42/892763542.db2.gz POBIEKGXBKVDOJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP NC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001483756820 892785687 /nfs/dbraw/zinc/78/56/87/892785687.db2.gz HYGJHBKPTUEFMS-UHFFFAOYSA-N 2 2 265.317 -1.003 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484273583 892836524 /nfs/dbraw/zinc/83/65/24/892836524.db2.gz IRVVWOKZOOVODG-YPMHNXCESA-N 2 2 297.399 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484273582 892837379 /nfs/dbraw/zinc/83/73/79/892837379.db2.gz IRVVWOKZOOVODG-WCQYABFASA-N 2 2 297.399 -1.128 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001484295136 892842733 /nfs/dbraw/zinc/84/27/33/892842733.db2.gz LSYCYTVCQCZIFM-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001484295136 892842720 /nfs/dbraw/zinc/84/27/20/892842720.db2.gz LSYCYTVCQCZIFM-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001484498513 892870774 /nfs/dbraw/zinc/87/07/74/892870774.db2.gz NZCTVOQQWLUTLE-UHFFFAOYSA-N 2 2 283.332 -2.142 20 0 CAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001484495519 892871320 /nfs/dbraw/zinc/87/13/20/892871320.db2.gz OOJCZZRAKXECIL-NSHDSACASA-N 2 2 295.343 -1.749 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001485424577 892932790 /nfs/dbraw/zinc/93/27/90/892932790.db2.gz MDKUYYSYYZIIGT-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001485424577 892932798 /nfs/dbraw/zinc/93/27/98/892932798.db2.gz MDKUYYSYYZIIGT-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001485979175 892965362 /nfs/dbraw/zinc/96/53/62/892965362.db2.gz HZNDSMFNSRRAOD-RYUDHWBXSA-N 2 2 298.387 -1.620 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001485979175 892965372 /nfs/dbraw/zinc/96/53/72/892965372.db2.gz HZNDSMFNSRRAOD-RYUDHWBXSA-N 2 2 298.387 -1.620 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486005394 892980597 /nfs/dbraw/zinc/98/05/97/892980597.db2.gz UKUFTDNAFIDRGJ-GMTAPVOTSA-N 2 2 282.344 -1.038 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486005394 892980599 /nfs/dbraw/zinc/98/05/99/892980599.db2.gz UKUFTDNAFIDRGJ-GMTAPVOTSA-N 2 2 282.344 -1.038 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001486011067 892984287 /nfs/dbraw/zinc/98/42/87/892984287.db2.gz PPZQTAPVYRTSGM-WDEREUQCSA-N 2 2 282.344 -1.496 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001486052349 893001778 /nfs/dbraw/zinc/00/17/78/893001778.db2.gz FXHMUCVSYRINSB-MRVPVSSYSA-N 2 2 269.305 -2.485 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001486057505 893002475 /nfs/dbraw/zinc/00/24/75/893002475.db2.gz LRAKHEHUZBJFFM-JTQLQIEISA-N 2 2 270.333 -1.588 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001486052350 893005081 /nfs/dbraw/zinc/00/50/81/893005081.db2.gz FXHMUCVSYRINSB-QMMMGPOBSA-N 2 2 269.305 -2.485 20 0 CAADLP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001486066659 893008752 /nfs/dbraw/zinc/00/87/52/893008752.db2.gz UNAQMDXBTMBMHP-LLVKDONJSA-N 2 2 297.359 -1.526 20 0 CAADLP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486065119 893009717 /nfs/dbraw/zinc/00/97/17/893009717.db2.gz FMVWLWSTHNNTRP-ZJUUUORDSA-N 2 2 283.332 -1.786 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001486061307 893009836 /nfs/dbraw/zinc/00/98/36/893009836.db2.gz KXTPEFYFWVESLY-PWSUYJOCSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001486061307 893009855 /nfs/dbraw/zinc/00/98/55/893009855.db2.gz KXTPEFYFWVESLY-PWSUYJOCSA-N 2 2 296.375 -1.667 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001486060909 893010264 /nfs/dbraw/zinc/01/02/64/893010264.db2.gz DDSNCDLJJHBBAB-JTQLQIEISA-N 2 2 272.349 -2.105 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001486065740 893010689 /nfs/dbraw/zinc/01/06/89/893010689.db2.gz LONAHHZXIJTUCH-LBPRGKRZSA-N 2 2 292.343 -1.154 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486304442 893044311 /nfs/dbraw/zinc/04/43/11/893044311.db2.gz LKJHKSMKUKJILT-PWSUYJOCSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486304442 893044332 /nfs/dbraw/zinc/04/43/32/893044332.db2.gz LKJHKSMKUKJILT-PWSUYJOCSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486304440 893044662 /nfs/dbraw/zinc/04/46/62/893044662.db2.gz LKJHKSMKUKJILT-CMPLNLGQSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486304440 893044680 /nfs/dbraw/zinc/04/46/80/893044680.db2.gz LKJHKSMKUKJILT-CMPLNLGQSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486304443 893048363 /nfs/dbraw/zinc/04/83/63/893048363.db2.gz LKJHKSMKUKJILT-ZYHUDNBSSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486304443 893048383 /nfs/dbraw/zinc/04/83/83/893048383.db2.gz LKJHKSMKUKJILT-ZYHUDNBSSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486320544 893051567 /nfs/dbraw/zinc/05/15/67/893051567.db2.gz VCTAHKZONQLYLP-NXEZZACHSA-N 2 2 283.332 -1.834 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486320557 893055366 /nfs/dbraw/zinc/05/53/66/893055366.db2.gz VCTAHKZONQLYLP-ZJUUUORDSA-N 2 2 283.332 -1.834 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001486343679 893059477 /nfs/dbraw/zinc/05/94/77/893059477.db2.gz OVEYVHPAOZSZMA-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001486343679 893059498 /nfs/dbraw/zinc/05/94/98/893059498.db2.gz OVEYVHPAOZSZMA-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001488078174 893142555 /nfs/dbraw/zinc/14/25/55/893142555.db2.gz PHVXZPYDFARDJP-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP NC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001490721887 893218428 /nfs/dbraw/zinc/21/84/28/893218428.db2.gz HUQCLPXPBRKXKO-VIFPVBQESA-N 2 2 265.317 -1.078 20 0 CAADLP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491567191 893295960 /nfs/dbraw/zinc/29/59/60/893295960.db2.gz DGVPEEQDBCCCHH-VIFPVBQESA-N 2 2 284.364 -1.346 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001491590123 893297858 /nfs/dbraw/zinc/29/78/58/893297858.db2.gz MGSILTYUSVBJMQ-SFYZADRCSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001491640576 893301390 /nfs/dbraw/zinc/30/13/90/893301390.db2.gz UQXWQXISLXEAEC-DTWKUNHWSA-N 2 2 267.333 -1.069 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001491640579 893303890 /nfs/dbraw/zinc/30/38/90/893303890.db2.gz UQXWQXISLXEAEC-RKDXNWHRSA-N 2 2 267.333 -1.069 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492220192 893336500 /nfs/dbraw/zinc/33/65/00/893336500.db2.gz FOKDWXPAFJQTSO-UWVGGRQHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492220192 893336517 /nfs/dbraw/zinc/33/65/17/893336517.db2.gz FOKDWXPAFJQTSO-UWVGGRQHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492220192 893336534 /nfs/dbraw/zinc/33/65/34/893336534.db2.gz FOKDWXPAFJQTSO-UWVGGRQHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492220192 893336555 /nfs/dbraw/zinc/33/65/55/893336555.db2.gz FOKDWXPAFJQTSO-UWVGGRQHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492220194 893337092 /nfs/dbraw/zinc/33/70/92/893337092.db2.gz FOKDWXPAFJQTSO-ZJUUUORDSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492220194 893337031 /nfs/dbraw/zinc/33/70/31/893337031.db2.gz FOKDWXPAFJQTSO-ZJUUUORDSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492220194 893337052 /nfs/dbraw/zinc/33/70/52/893337052.db2.gz FOKDWXPAFJQTSO-ZJUUUORDSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492220194 893337073 /nfs/dbraw/zinc/33/70/73/893337073.db2.gz FOKDWXPAFJQTSO-ZJUUUORDSA-N 2 2 272.349 -1.761 20 0 CAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)C(N)=O ZINC001492949435 893364753 /nfs/dbraw/zinc/36/47/53/893364753.db2.gz PZZSOWRWNWITPB-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H](C)C(N)=O ZINC001492949435 893364769 /nfs/dbraw/zinc/36/47/69/893364769.db2.gz PZZSOWRWNWITPB-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)C(N)=O ZINC001492949435 893364786 /nfs/dbraw/zinc/36/47/86/893364786.db2.gz PZZSOWRWNWITPB-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)C(N)=O ZINC001492949435 893364802 /nfs/dbraw/zinc/36/48/02/893364802.db2.gz PZZSOWRWNWITPB-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001492949452 893368544 /nfs/dbraw/zinc/36/85/44/893368544.db2.gz QFXWGHGVYBBMFI-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001492949452 893368560 /nfs/dbraw/zinc/36/85/60/893368560.db2.gz QFXWGHGVYBBMFI-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCNC1=O ZINC001492949452 893368579 /nfs/dbraw/zinc/36/85/79/893368579.db2.gz QFXWGHGVYBBMFI-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCNC1=O ZINC001492949452 893368599 /nfs/dbraw/zinc/36/85/99/893368599.db2.gz QFXWGHGVYBBMFI-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949453 893371520 /nfs/dbraw/zinc/37/15/20/893371520.db2.gz QFXWGHGVYBBMFI-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949453 893371541 /nfs/dbraw/zinc/37/15/41/893371541.db2.gz QFXWGHGVYBBMFI-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949453 893371559 /nfs/dbraw/zinc/37/15/59/893371559.db2.gz QFXWGHGVYBBMFI-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949453 893371577 /nfs/dbraw/zinc/37/15/77/893371577.db2.gz QFXWGHGVYBBMFI-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C ZINC001493682696 893410309 /nfs/dbraw/zinc/41/03/09/893410309.db2.gz YSURNPQGAROSTA-UHFFFAOYSA-N 2 2 284.364 -1.392 20 0 CAADLP CNC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001493710217 893413928 /nfs/dbraw/zinc/41/39/28/893413928.db2.gz YLAQKTZTOLXMQP-UHFFFAOYSA-N 2 2 253.306 -1.254 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001493774935 893414923 /nfs/dbraw/zinc/41/49/23/893414923.db2.gz NNJJHIIPKVTNSJ-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494612110 893450670 /nfs/dbraw/zinc/45/06/70/893450670.db2.gz URNKSZZXZDQPDO-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001494612110 893450675 /nfs/dbraw/zinc/45/06/75/893450675.db2.gz URNKSZZXZDQPDO-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nnnn1C ZINC001495813419 893492126 /nfs/dbraw/zinc/49/21/26/893492126.db2.gz LQSAJRRWKYPNIE-SNVBAGLBSA-N 2 2 292.347 -1.051 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496207133 893510929 /nfs/dbraw/zinc/51/09/29/893510929.db2.gz NMQYEOGMVBJSBK-VIFPVBQESA-N 2 2 267.333 -1.116 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245401 893512944 /nfs/dbraw/zinc/51/29/44/893512944.db2.gz UCKWXECZHPZCMU-SECBINFHSA-N 2 2 296.331 -1.486 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961079 893561038 /nfs/dbraw/zinc/56/10/38/893561038.db2.gz MFNXZHDUKASNSO-VXGBXAGGSA-N 2 2 298.343 -1.428 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961079 893561051 /nfs/dbraw/zinc/56/10/51/893561051.db2.gz MFNXZHDUKASNSO-VXGBXAGGSA-N 2 2 298.343 -1.428 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001496990213 893573271 /nfs/dbraw/zinc/57/32/71/893573271.db2.gz KSFISYITEBIKGB-WCBMZHEXSA-N 2 2 283.332 -1.717 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001496990213 893573293 /nfs/dbraw/zinc/57/32/93/893573293.db2.gz KSFISYITEBIKGB-WCBMZHEXSA-N 2 2 283.332 -1.717 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497009958 893579803 /nfs/dbraw/zinc/57/98/03/893579803.db2.gz JMCKSLOQIYJYPD-GXSJLCMTSA-N 2 2 295.343 -2.003 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001497018311 893581934 /nfs/dbraw/zinc/58/19/34/893581934.db2.gz ROBYTVFTEIQYMD-SECBINFHSA-N 2 2 291.311 -1.500 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001497027390 893584876 /nfs/dbraw/zinc/58/48/76/893584876.db2.gz DUROEBPVZPYSPQ-QWRGUYRKSA-N 2 2 297.359 -1.526 20 0 CAADLP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497062125 893594811 /nfs/dbraw/zinc/59/48/11/893594811.db2.gz DNRVIJHBSQNODE-LBPRGKRZSA-N 2 2 292.343 -1.047 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001497067394 893597711 /nfs/dbraw/zinc/59/77/11/893597711.db2.gz GBXOYFASNAXWEO-PSASIEDQSA-N 2 2 283.332 -1.860 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001497067394 893597715 /nfs/dbraw/zinc/59/77/15/893597715.db2.gz GBXOYFASNAXWEO-PSASIEDQSA-N 2 2 283.332 -1.860 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001497067395 893597917 /nfs/dbraw/zinc/59/79/17/893597917.db2.gz GBXOYFASNAXWEO-SCZZXKLOSA-N 2 2 283.332 -1.860 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001497067395 893597930 /nfs/dbraw/zinc/59/79/30/893597930.db2.gz GBXOYFASNAXWEO-SCZZXKLOSA-N 2 2 283.332 -1.860 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497082416 893601926 /nfs/dbraw/zinc/60/19/26/893601926.db2.gz XSKZAWRVLRWDQX-BDAKNGLRSA-N 2 2 256.306 -1.600 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001497103412 893604010 /nfs/dbraw/zinc/60/40/10/893604010.db2.gz COYYMDIQFGUEFU-KOLCDFICSA-N 2 2 297.359 -1.707 20 0 CAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001497126978 893607858 /nfs/dbraw/zinc/60/78/58/893607858.db2.gz PVSILQCTIHHRFT-LBPRGKRZSA-N 2 2 292.343 -1.117 20 0 CAADLP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497128437 893608733 /nfs/dbraw/zinc/60/87/33/893608733.db2.gz ZWUQSCNQCLVEQR-GHMZBOCLSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001497127484 893608808 /nfs/dbraw/zinc/60/88/08/893608808.db2.gz VFGSKRSJDAVLDZ-MNOVXSKESA-N 2 2 297.359 -1.574 20 0 CAADLP CNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001497732731 893630565 /nfs/dbraw/zinc/63/05/65/893630565.db2.gz SVBSWEPLPAVWQC-ONEGZZNKSA-N 2 2 279.344 -1.029 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001498064303 893651995 /nfs/dbraw/zinc/65/19/95/893651995.db2.gz NWLPOOKISUINAZ-QMMMGPOBSA-N 2 2 283.332 -1.071 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001498076519 893652686 /nfs/dbraw/zinc/65/26/86/893652686.db2.gz MZIWYIVVQFCQAI-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1CCO ZINC001499082167 893703944 /nfs/dbraw/zinc/70/39/44/893703944.db2.gz PJGXNWAMMMGMRP-GFCCVEGCSA-N 2 2 271.361 -1.109 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1CCO ZINC001499082167 893703952 /nfs/dbraw/zinc/70/39/52/893703952.db2.gz PJGXNWAMMMGMRP-GFCCVEGCSA-N 2 2 271.361 -1.109 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500837526 893767321 /nfs/dbraw/zinc/76/73/21/893767321.db2.gz XTYFKJSEZIVXIR-QJPTWQEYSA-N 2 2 285.388 -1.130 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500837526 893767331 /nfs/dbraw/zinc/76/73/31/893767331.db2.gz XTYFKJSEZIVXIR-QJPTWQEYSA-N 2 2 285.388 -1.130 20 0 CAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001501496846 893807969 /nfs/dbraw/zinc/80/79/69/893807969.db2.gz JNYAFDKIIAPHSK-VIFPVBQESA-N 2 2 283.332 -1.764 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001502079440 893838936 /nfs/dbraw/zinc/83/89/36/893838936.db2.gz QFBYVINUHXYPTA-JTQLQIEISA-N 2 2 281.316 -1.746 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001502096752 893839027 /nfs/dbraw/zinc/83/90/27/893839027.db2.gz DLSOCHHKEPUGQR-JTQLQIEISA-N 2 2 281.316 -1.815 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001502066919 893840920 /nfs/dbraw/zinc/84/09/20/893840920.db2.gz REGZNJSJQVVGGH-NSHDSACASA-N 2 2 295.343 -1.425 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001502892115 893864786 /nfs/dbraw/zinc/86/47/86/893864786.db2.gz BTFBEDVIUOSNCO-UHFFFAOYSA-N 2 2 296.371 -1.102 20 0 CAADLP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(N)=O)C1 ZINC001506649789 893934844 /nfs/dbraw/zinc/93/48/44/893934844.db2.gz KIAHDUXBVQHOQZ-VIFPVBQESA-N 2 2 256.350 -1.140 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001507183970 893977928 /nfs/dbraw/zinc/97/79/28/893977928.db2.gz VXQMLRSCTZPPIS-UWVGGRQHSA-N 2 2 263.313 -1.647 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001507183970 893977913 /nfs/dbraw/zinc/97/79/13/893977913.db2.gz VXQMLRSCTZPPIS-UWVGGRQHSA-N 2 2 263.313 -1.647 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001507183969 893980304 /nfs/dbraw/zinc/98/03/04/893980304.db2.gz VXQMLRSCTZPPIS-NXEZZACHSA-N 2 2 263.313 -1.647 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001507183969 893980317 /nfs/dbraw/zinc/98/03/17/893980317.db2.gz VXQMLRSCTZPPIS-NXEZZACHSA-N 2 2 263.313 -1.647 20 0 CAADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507219745 894002298 /nfs/dbraw/zinc/00/22/98/894002298.db2.gz FXQBGLZWQIIDET-QWRGUYRKSA-N 2 2 270.333 -1.279 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001507242068 894018939 /nfs/dbraw/zinc/01/89/39/894018939.db2.gz VQNNNTQFPORTDK-OPRDCNLKSA-N 2 2 295.343 -1.924 20 0 CAADLP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507267940 894032229 /nfs/dbraw/zinc/03/22/29/894032229.db2.gz QVUAHLHKNRHKHI-NSHDSACASA-N 2 2 292.343 -1.117 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001507265072 894032637 /nfs/dbraw/zinc/03/26/37/894032637.db2.gz OSOQYZJAYCIJNB-NSHDSACASA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC001507265072 894032661 /nfs/dbraw/zinc/03/26/61/894032661.db2.gz OSOQYZJAYCIJNB-NSHDSACASA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001507265071 894032746 /nfs/dbraw/zinc/03/27/46/894032746.db2.gz OSOQYZJAYCIJNB-LLVKDONJSA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C ZINC001507265071 894032762 /nfs/dbraw/zinc/03/27/62/894032762.db2.gz OSOQYZJAYCIJNB-LLVKDONJSA-N 2 2 298.391 -1.278 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001507267928 894034061 /nfs/dbraw/zinc/03/40/61/894034061.db2.gz QPQGFTOVEKJGJB-NSHDSACASA-N 2 2 293.331 -1.759 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507261777 894036405 /nfs/dbraw/zinc/03/64/05/894036405.db2.gz UWBOYDMSJPIKFE-WDEREUQCSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507261777 894036421 /nfs/dbraw/zinc/03/64/21/894036421.db2.gz UWBOYDMSJPIKFE-WDEREUQCSA-N 2 2 296.375 -1.667 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001507483534 894053115 /nfs/dbraw/zinc/05/31/15/894053115.db2.gz MENVJEXCZVXSQK-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001507483534 894053136 /nfs/dbraw/zinc/05/31/36/894053136.db2.gz MENVJEXCZVXSQK-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507549559 894067843 /nfs/dbraw/zinc/06/78/43/894067843.db2.gz ZHGRUIDYGCFAQH-SNVBAGLBSA-N 2 2 297.359 -1.584 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001507547227 894068372 /nfs/dbraw/zinc/06/83/72/894068372.db2.gz LKBCEVSFKQYNGN-NXEZZACHSA-N 2 2 297.359 -1.457 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001507547228 894068722 /nfs/dbraw/zinc/06/87/22/894068722.db2.gz LKBCEVSFKQYNGN-UWVGGRQHSA-N 2 2 297.359 -1.457 20 0 CAADLP C[NH+]1CCN(C(=O)CNC(=O)C[NH+]2CCCC2)CC1 ZINC001520823207 894197591 /nfs/dbraw/zinc/19/75/91/894197591.db2.gz SVCSAWJEAOPWQB-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1=O ZINC001521540138 894207731 /nfs/dbraw/zinc/20/77/31/894207731.db2.gz CKICEYDICBDHOD-GFCCVEGCSA-N 2 2 298.387 -1.680 20 0 CAADLP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1=O ZINC001521540139 894209728 /nfs/dbraw/zinc/20/97/28/894209728.db2.gz CKICEYDICBDHOD-LBPRGKRZSA-N 2 2 298.387 -1.680 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001521900815 894211489 /nfs/dbraw/zinc/21/14/89/894211489.db2.gz TXDYDJNDMOAFMY-UHFFFAOYSA-N 2 2 288.392 -1.658 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(C[NH2+]C2)CC1 ZINC001521899607 894211896 /nfs/dbraw/zinc/21/18/96/894211896.db2.gz BDYOYMGWRROICJ-UHFFFAOYSA-N 2 2 266.345 -1.370 20 0 CAADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](O)C[NH3+] ZINC001522771727 894247508 /nfs/dbraw/zinc/24/75/08/894247508.db2.gz DHKYIVHSJUTGAA-GHMZBOCLSA-N 2 2 259.350 -1.077 20 0 CAADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](O)C[NH3+] ZINC001522771730 894247889 /nfs/dbraw/zinc/24/78/89/894247889.db2.gz DHKYIVHSJUTGAA-MNOVXSKESA-N 2 2 259.350 -1.077 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001548562281 894487086 /nfs/dbraw/zinc/48/70/86/894487086.db2.gz BXHXMPJCFAKADC-SNVBAGLBSA-N 2 2 286.401 -1.371 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001548547236 894487483 /nfs/dbraw/zinc/48/74/83/894487483.db2.gz FDAWPTWDIYBQOK-LBPRGKRZSA-N 2 2 270.377 -1.319 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574157 894489093 /nfs/dbraw/zinc/48/90/93/894489093.db2.gz AYBPBRBBEFEPNY-LLVKDONJSA-N 2 2 284.360 -2.009 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623702 894488807 /nfs/dbraw/zinc/48/88/07/894488807.db2.gz MOPYJSANZXKPQW-OLZOCXBDSA-N 2 2 282.388 -1.489 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623702 894488819 /nfs/dbraw/zinc/48/88/19/894488819.db2.gz MOPYJSANZXKPQW-OLZOCXBDSA-N 2 2 282.388 -1.489 20 0 CAADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001548568515 894489404 /nfs/dbraw/zinc/48/94/04/894489404.db2.gz HPWRTNRUZWOCCJ-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548590349 894489974 /nfs/dbraw/zinc/48/99/74/894489974.db2.gz XMNVOUNZXWYUNW-UHFFFAOYSA-N 2 2 296.371 -1.602 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548688644 894495136 /nfs/dbraw/zinc/49/51/36/894495136.db2.gz DYLBJGYSAVSHKA-MELADBBJSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548688644 894495141 /nfs/dbraw/zinc/49/51/41/894495141.db2.gz DYLBJGYSAVSHKA-MELADBBJSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC001548730986 894498009 /nfs/dbraw/zinc/49/80/09/894498009.db2.gz UBVBOOMILAAXEV-JHJVBQTASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC001548730986 894498016 /nfs/dbraw/zinc/49/80/16/894498016.db2.gz UBVBOOMILAAXEV-JHJVBQTASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001548730986 894498023 /nfs/dbraw/zinc/49/80/23/894498023.db2.gz UBVBOOMILAAXEV-JHJVBQTASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001548730986 894498031 /nfs/dbraw/zinc/49/80/31/894498031.db2.gz UBVBOOMILAAXEV-JHJVBQTASA-N 2 2 282.388 -1.490 20 0 CAADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC001549043876 894507502 /nfs/dbraw/zinc/50/75/02/894507502.db2.gz REHGZOHOTYUWCU-WDEREUQCSA-N 2 2 279.344 -1.119 20 0 CAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001549044574 894507541 /nfs/dbraw/zinc/50/75/41/894507541.db2.gz CVXRVQCULKKLQG-ZJUUUORDSA-N 2 2 267.333 -1.133 20 0 CAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001549044572 894509003 /nfs/dbraw/zinc/50/90/03/894509003.db2.gz CVXRVQCULKKLQG-NXEZZACHSA-N 2 2 267.333 -1.133 20 0 CAADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC001550115778 894528991 /nfs/dbraw/zinc/52/89/91/894528991.db2.gz FXEPSMFFNDMNCC-AGIUHOORSA-N 2 2 282.388 -1.049 20 0 CAADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC001550115779 894530342 /nfs/dbraw/zinc/53/03/42/894530342.db2.gz FXEPSMFFNDMNCC-FRRDWIJNSA-N 2 2 282.388 -1.049 20 0 CAADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3[NH3+])C2)CC1 ZINC001550115781 894530400 /nfs/dbraw/zinc/53/04/00/894530400.db2.gz FXEPSMFFNDMNCC-UPJWGTAASA-N 2 2 282.388 -1.049 20 0 CAADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001550116742 894533306 /nfs/dbraw/zinc/53/33/06/894533306.db2.gz RJKGJUISIIWERY-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001550116744 894534015 /nfs/dbraw/zinc/53/40/15/894534015.db2.gz RJKGJUISIIWERY-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552086708 894541122 /nfs/dbraw/zinc/54/11/22/894541122.db2.gz JIKKFQBQKURMIS-WDEREUQCSA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552086708 894541131 /nfs/dbraw/zinc/54/11/31/894541131.db2.gz JIKKFQBQKURMIS-WDEREUQCSA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552086705 894541433 /nfs/dbraw/zinc/54/14/33/894541433.db2.gz JIKKFQBQKURMIS-QWRGUYRKSA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC001552086705 894541443 /nfs/dbraw/zinc/54/14/43/894541443.db2.gz JIKKFQBQKURMIS-QWRGUYRKSA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203598 894550663 /nfs/dbraw/zinc/55/06/63/894550663.db2.gz GRMTVMDSDLJZFO-NQBHXWOUSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203598 894550675 /nfs/dbraw/zinc/55/06/75/894550675.db2.gz GRMTVMDSDLJZFO-NQBHXWOUSA-N 2 2 269.345 -1.331 20 0 CAADLP O=C([C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC001553405011 894558795 /nfs/dbraw/zinc/55/87/95/894558795.db2.gz CLWQVVKVSPVFFO-SDDRHHMPSA-N 2 2 269.345 -1.358 20 0 CAADLP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC001553405014 894560044 /nfs/dbraw/zinc/56/00/44/894560044.db2.gz CLWQVVKVSPVFFO-WOPDTQHZSA-N 2 2 269.345 -1.358 20 0 CAADLP C[N@@H+]1CC[C@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@@H]2C1 ZINC001553365958 894560546 /nfs/dbraw/zinc/56/05/46/894560546.db2.gz NUGDAYSGSFOPOR-XCBNKYQSSA-N 2 2 251.294 -1.321 20 0 CAADLP C[N@H+]1CC[C@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@@H]2C1 ZINC001553365958 894560554 /nfs/dbraw/zinc/56/05/54/894560554.db2.gz NUGDAYSGSFOPOR-XCBNKYQSSA-N 2 2 251.294 -1.321 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553344750 894561491 /nfs/dbraw/zinc/56/14/91/894561491.db2.gz QZROTJKCLDAUKQ-QWRGUYRKSA-N 2 2 257.334 -1.059 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553408984 894564207 /nfs/dbraw/zinc/56/42/07/894564207.db2.gz KJZWGESVWXDDJK-WYUUTHIRSA-N 2 2 269.345 -1.047 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553408984 894564215 /nfs/dbraw/zinc/56/42/15/894564215.db2.gz KJZWGESVWXDDJK-WYUUTHIRSA-N 2 2 269.345 -1.047 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553408983 894565400 /nfs/dbraw/zinc/56/54/00/894565400.db2.gz KJZWGESVWXDDJK-WISYIIOYSA-N 2 2 269.345 -1.047 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553408983 894565417 /nfs/dbraw/zinc/56/54/17/894565417.db2.gz KJZWGESVWXDDJK-WISYIIOYSA-N 2 2 269.345 -1.047 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000051763594 230160488 /nfs/dbraw/zinc/16/04/88/230160488.db2.gz OLJFPSSCSKTYCJ-ZDUSSCGKSA-N 2 2 295.387 -1.050 20 0 CAADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000126182703 230176021 /nfs/dbraw/zinc/17/60/21/230176021.db2.gz JQLYQROUZPDANH-LLVKDONJSA-N 2 2 259.350 -1.301 20 0 CAADLP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000125222995 230173122 /nfs/dbraw/zinc/17/31/22/230173122.db2.gz CQESHNCDRCVVGL-GFCCVEGCSA-N 2 2 298.387 -1.225 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCn1cc[nH+]c1 ZINC000163652366 230184740 /nfs/dbraw/zinc/18/47/40/230184740.db2.gz RGOYUOIRPZGMPB-UHFFFAOYSA-N 2 2 251.290 -1.569 20 0 CAADLP O=C(CNC(=O)C[C@@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000166086621 230186180 /nfs/dbraw/zinc/18/61/80/230186180.db2.gz JADFYPIJMVBHJI-LBPRGKRZSA-N 2 2 298.387 -1.307 20 0 CAADLP O=C(CNC(=O)[C@H]1CSC[NH2+]1)N1CC[NH2+]CC1 ZINC000082655411 178143269 /nfs/dbraw/zinc/14/32/69/178143269.db2.gz ZUTAMEAXGKJCET-MRVPVSSYSA-N 2 2 258.347 -1.803 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000189725191 230206681 /nfs/dbraw/zinc/20/66/81/230206681.db2.gz QPMSNFYCPAAKBZ-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000189725191 230206687 /nfs/dbraw/zinc/20/66/87/230206687.db2.gz QPMSNFYCPAAKBZ-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000262277440 230227123 /nfs/dbraw/zinc/22/71/23/230227123.db2.gz LFUUUZBJPOZUQI-MXWKQRLJSA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000262277440 230227144 /nfs/dbraw/zinc/22/71/44/230227144.db2.gz LFUUUZBJPOZUQI-MXWKQRLJSA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000262277445 230225583 /nfs/dbraw/zinc/22/55/83/230225583.db2.gz LFUUUZBJPOZUQI-VWYCJHECSA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000262277445 230225588 /nfs/dbraw/zinc/22/55/88/230225588.db2.gz LFUUUZBJPOZUQI-VWYCJHECSA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000262203574 230225949 /nfs/dbraw/zinc/22/59/49/230225949.db2.gz DIKAZIOLLAOKSX-VIFPVBQESA-N 2 2 272.349 -1.632 20 0 CAADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000358129268 230241688 /nfs/dbraw/zinc/24/16/88/230241688.db2.gz ROPOEVOHJUYNJI-NSHDSACASA-N 2 2 257.334 -1.105 20 0 CAADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000358129268 230241693 /nfs/dbraw/zinc/24/16/93/230241693.db2.gz ROPOEVOHJUYNJI-NSHDSACASA-N 2 2 257.334 -1.105 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419848747 230257006 /nfs/dbraw/zinc/25/70/06/230257006.db2.gz WWGVXOFZEWDBHY-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423030672 230267092 /nfs/dbraw/zinc/26/70/92/230267092.db2.gz CFFHFQPGSYWPKM-UHFFFAOYSA-N 2 2 284.360 -1.791 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1CCOC ZINC000353702357 529376812 /nfs/dbraw/zinc/37/68/12/529376812.db2.gz KPXISBKFSZVIEE-GHMZBOCLSA-N 2 2 286.376 -1.242 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1CCOC ZINC000353702357 529376816 /nfs/dbraw/zinc/37/68/16/529376816.db2.gz KPXISBKFSZVIEE-GHMZBOCLSA-N 2 2 286.376 -1.242 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423681291 230275274 /nfs/dbraw/zinc/27/52/74/230275274.db2.gz OFDCHXDWDFTGTQ-VXGBXAGGSA-N 2 2 298.387 -1.668 20 0 CAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000430792453 230307326 /nfs/dbraw/zinc/30/73/26/230307326.db2.gz ROBPAUYVBKKCGR-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000430938825 230310055 /nfs/dbraw/zinc/31/00/55/230310055.db2.gz JGPPWPLGRGDSLI-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000430938825 230310058 /nfs/dbraw/zinc/31/00/58/230310058.db2.gz JGPPWPLGRGDSLI-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430884464 230310325 /nfs/dbraw/zinc/31/03/25/230310325.db2.gz XAGCVLKZOYXKAC-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430884464 230310328 /nfs/dbraw/zinc/31/03/28/230310328.db2.gz XAGCVLKZOYXKAC-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430715475 230308189 /nfs/dbraw/zinc/30/81/89/230308189.db2.gz AQQSFLJECSJGDM-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430715475 230308194 /nfs/dbraw/zinc/30/81/94/230308194.db2.gz AQQSFLJECSJGDM-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000432511124 230315205 /nfs/dbraw/zinc/31/52/05/230315205.db2.gz BUJRDOPKFQKTNS-NOOOWODRSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431012286 230312110 /nfs/dbraw/zinc/31/21/10/230312110.db2.gz ABFJCIIYIHKION-CHWSQXEVSA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430892124 230312718 /nfs/dbraw/zinc/31/27/18/230312718.db2.gz AXWRUWHIKHXYJZ-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000434668762 230318639 /nfs/dbraw/zinc/31/86/39/230318639.db2.gz COFJDCHLYGKEDL-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+](C)CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000442647875 230329556 /nfs/dbraw/zinc/32/95/56/230329556.db2.gz IMWROXZOVGKFCP-UHFFFAOYSA-N 2 2 272.349 -1.887 20 0 CAADLP CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803997 529442535 /nfs/dbraw/zinc/44/25/35/529442535.db2.gz WCCCYTIWAIEAPH-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803987 529442584 /nfs/dbraw/zinc/44/25/84/529442584.db2.gz WCCCYTIWAIEAPH-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000447316067 230341773 /nfs/dbraw/zinc/34/17/73/230341773.db2.gz VRIWIVOCBGOQJJ-PPCPHDFISA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000447316067 230341775 /nfs/dbraw/zinc/34/17/75/230341775.db2.gz VRIWIVOCBGOQJJ-PPCPHDFISA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000447316067 230341779 /nfs/dbraw/zinc/34/17/79/230341779.db2.gz VRIWIVOCBGOQJJ-PPCPHDFISA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@@H]1O ZINC000447316067 230341780 /nfs/dbraw/zinc/34/17/80/230341780.db2.gz VRIWIVOCBGOQJJ-PPCPHDFISA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000447316068 230342006 /nfs/dbraw/zinc/34/20/06/230342006.db2.gz VRIWIVOCBGOQJJ-YOTBANQPSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000447316068 230342010 /nfs/dbraw/zinc/34/20/10/230342010.db2.gz VRIWIVOCBGOQJJ-YOTBANQPSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000447316068 230342013 /nfs/dbraw/zinc/34/20/13/230342013.db2.gz VRIWIVOCBGOQJJ-YOTBANQPSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2C[C@H](O)[C@@H](C)C2)C[C@H]1O ZINC000447316068 230342017 /nfs/dbraw/zinc/34/20/17/230342017.db2.gz VRIWIVOCBGOQJJ-YOTBANQPSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@]1(F)C[NH2+]CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000449573511 230344481 /nfs/dbraw/zinc/34/44/81/230344481.db2.gz SFAUDZWQDQUBID-LBPRGKRZSA-N 2 2 272.324 -1.422 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279191 230353545 /nfs/dbraw/zinc/35/35/45/230353545.db2.gz IGXDWRVBFWDUKV-HBNTYKKESA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279191 230353551 /nfs/dbraw/zinc/35/35/51/230353551.db2.gz IGXDWRVBFWDUKV-HBNTYKKESA-N 2 2 257.334 -1.454 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000174381008 529781809 /nfs/dbraw/zinc/78/18/09/529781809.db2.gz JYGWBPSDYMLTJJ-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000174381008 529781811 /nfs/dbraw/zinc/78/18/11/529781811.db2.gz JYGWBPSDYMLTJJ-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000174392493 529783511 /nfs/dbraw/zinc/78/35/11/529783511.db2.gz NZDUFALUKRFQDJ-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000174392493 529783512 /nfs/dbraw/zinc/78/35/12/529783512.db2.gz NZDUFALUKRFQDJ-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174392493 529783513 /nfs/dbraw/zinc/78/35/13/529783513.db2.gz NZDUFALUKRFQDJ-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174392493 529783514 /nfs/dbraw/zinc/78/35/14/529783514.db2.gz NZDUFALUKRFQDJ-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430681673 529792981 /nfs/dbraw/zinc/79/29/81/529792981.db2.gz FLNDFOWSOFWYIV-JTQLQIEISA-N 2 2 254.334 -1.514 20 0 CAADLP C[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430681673 529792982 /nfs/dbraw/zinc/79/29/82/529792982.db2.gz FLNDFOWSOFWYIV-JTQLQIEISA-N 2 2 254.334 -1.514 20 0 CAADLP CN(C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000049306466 529825242 /nfs/dbraw/zinc/82/52/42/529825242.db2.gz NYGFMKPIAXDHJG-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP CN(C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000049306466 529825243 /nfs/dbraw/zinc/82/52/43/529825243.db2.gz NYGFMKPIAXDHJG-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP CN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000352696327 529827457 /nfs/dbraw/zinc/82/74/57/529827457.db2.gz JLNVVVCYVFOSNF-LLVKDONJSA-N 2 2 268.361 -1.077 20 0 CAADLP CN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000352696327 529827458 /nfs/dbraw/zinc/82/74/58/529827458.db2.gz JLNVVVCYVFOSNF-LLVKDONJSA-N 2 2 268.361 -1.077 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000093191317 529827584 /nfs/dbraw/zinc/82/75/84/529827584.db2.gz QPMCQHONPXSEBQ-UHFFFAOYSA-N 2 2 273.377 -1.317 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000093191317 529827587 /nfs/dbraw/zinc/82/75/87/529827587.db2.gz QPMCQHONPXSEBQ-UHFFFAOYSA-N 2 2 273.377 -1.317 20 0 CAADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH2+]CC1 ZINC000430594389 529828170 /nfs/dbraw/zinc/82/81/70/529828170.db2.gz QYUYDMNBUYZMRN-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH2+]CC1 ZINC000430594389 529828171 /nfs/dbraw/zinc/82/81/71/529828171.db2.gz QYUYDMNBUYZMRN-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000428210730 529828384 /nfs/dbraw/zinc/82/83/84/529828384.db2.gz UEEPTUGOUHAUIW-SNVBAGLBSA-N 2 2 270.333 -2.135 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261790070 529851695 /nfs/dbraw/zinc/85/16/95/529851695.db2.gz GBWBVRCOBZTUGU-SNVBAGLBSA-N 2 2 258.366 -1.158 20 0 CAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261790070 529851697 /nfs/dbraw/zinc/85/16/97/529851697.db2.gz GBWBVRCOBZTUGU-SNVBAGLBSA-N 2 2 258.366 -1.158 20 0 CAADLP CNC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000178990015 529856717 /nfs/dbraw/zinc/85/67/17/529856717.db2.gz AEUUQZJJNTZICB-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000178990015 529856718 /nfs/dbraw/zinc/85/67/18/529856718.db2.gz AEUUQZJJNTZICB-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CNC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000125710725 529857641 /nfs/dbraw/zinc/85/76/41/529857641.db2.gz GQMNSRYXBNHITP-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436061355 529879456 /nfs/dbraw/zinc/87/94/56/529879456.db2.gz HKJBXKHVHNILTA-SNVBAGLBSA-N 2 2 299.375 -1.239 20 0 CAADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436061355 529879458 /nfs/dbraw/zinc/87/94/58/529879458.db2.gz HKJBXKHVHNILTA-SNVBAGLBSA-N 2 2 299.375 -1.239 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436061354 529880012 /nfs/dbraw/zinc/88/00/12/529880012.db2.gz HKJBXKHVHNILTA-JTQLQIEISA-N 2 2 299.375 -1.239 20 0 CAADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436061354 529880013 /nfs/dbraw/zinc/88/00/13/529880013.db2.gz HKJBXKHVHNILTA-JTQLQIEISA-N 2 2 299.375 -1.239 20 0 CAADLP Cn1nnnc1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262171938 529870377 /nfs/dbraw/zinc/87/03/77/529870377.db2.gz QLSJHIWTHYUWSC-UHFFFAOYSA-N 2 2 267.337 -1.536 20 0 CAADLP Cn1nnnc1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262171938 529870378 /nfs/dbraw/zinc/87/03/78/529870378.db2.gz QLSJHIWTHYUWSC-UHFFFAOYSA-N 2 2 267.337 -1.536 20 0 CAADLP C[N@H+](CCNS(C)(=O)=O)CC(=O)N1CC[NH2+]CC1 ZINC000430633231 529917938 /nfs/dbraw/zinc/91/79/38/529917938.db2.gz ZITJOKNJYQGHGT-UHFFFAOYSA-N 2 2 278.378 -2.101 20 0 CAADLP C[N@@H+](CCNS(C)(=O)=O)CC(=O)N1CC[NH2+]CC1 ZINC000430633231 529917939 /nfs/dbraw/zinc/91/79/39/529917939.db2.gz ZITJOKNJYQGHGT-UHFFFAOYSA-N 2 2 278.378 -2.101 20 0 CAADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000178985652 529903552 /nfs/dbraw/zinc/90/35/52/529903552.db2.gz VPBUXEBBDBYTMO-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000178985652 529903554 /nfs/dbraw/zinc/90/35/54/529903554.db2.gz VPBUXEBBDBYTMO-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000424197812 529911197 /nfs/dbraw/zinc/91/11/97/529911197.db2.gz XDZOYADPWWUZSJ-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP C[N@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000431053335 529913036 /nfs/dbraw/zinc/91/30/36/529913036.db2.gz MOUNLUZXXGIKPE-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000431053335 529913037 /nfs/dbraw/zinc/91/30/37/529913037.db2.gz MOUNLUZXXGIKPE-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430645173 529988284 /nfs/dbraw/zinc/98/82/84/529988284.db2.gz ZQABSCPOVAPMFR-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430645173 529988285 /nfs/dbraw/zinc/98/82/85/529988285.db2.gz ZQABSCPOVAPMFR-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431064397 529993676 /nfs/dbraw/zinc/99/36/76/529993676.db2.gz IZRLBMGEYVBFOO-NSHDSACASA-N 2 2 286.376 -1.594 20 0 CAADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430645172 530001743 /nfs/dbraw/zinc/00/17/43/530001743.db2.gz ZQABSCPOVAPMFR-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430645172 530001744 /nfs/dbraw/zinc/00/17/44/530001744.db2.gz ZQABSCPOVAPMFR-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430832911 530050062 /nfs/dbraw/zinc/05/00/62/530050062.db2.gz KLONFUMFTOPVBA-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423720081 530066432 /nfs/dbraw/zinc/06/64/32/530066432.db2.gz GPTHLZMBCZUQNS-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000336811899 530068071 /nfs/dbraw/zinc/06/80/71/530068071.db2.gz PAHBLQOLUZBIMZ-GFCCVEGCSA-N 2 2 270.333 -2.318 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000336811899 530068072 /nfs/dbraw/zinc/06/80/72/530068072.db2.gz PAHBLQOLUZBIMZ-GFCCVEGCSA-N 2 2 270.333 -2.318 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2[C@@H](CO)CC[C@H]2CO)CC1 ZINC000347304592 530068363 /nfs/dbraw/zinc/06/83/63/530068363.db2.gz KXIFMTMYSDZPMK-TXEJJXNPSA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)CC1 ZINC000347304592 530068364 /nfs/dbraw/zinc/06/83/64/530068364.db2.gz KXIFMTMYSDZPMK-TXEJJXNPSA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000347304594 530068396 /nfs/dbraw/zinc/06/83/96/530068396.db2.gz KXIFMTMYSDZPMK-VXGBXAGGSA-N 2 2 271.361 -1.422 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431014998 530071087 /nfs/dbraw/zinc/07/10/87/530071087.db2.gz QWQKKPFBDQERPF-LLVKDONJSA-N 2 2 283.376 -2.220 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431014998 530071088 /nfs/dbraw/zinc/07/10/88/530071088.db2.gz QWQKKPFBDQERPF-LLVKDONJSA-N 2 2 283.376 -2.220 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000424282013 282378633 /nfs/dbraw/zinc/37/86/33/282378633.db2.gz KMPIJKDDBUQANT-SNVBAGLBSA-N 2 2 270.333 -2.150 20 0 CAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000424282013 282378634 /nfs/dbraw/zinc/37/86/34/282378634.db2.gz KMPIJKDDBUQANT-SNVBAGLBSA-N 2 2 270.333 -2.150 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000424282012 282379170 /nfs/dbraw/zinc/37/91/70/282379170.db2.gz KMPIJKDDBUQANT-JTQLQIEISA-N 2 2 270.333 -2.150 20 0 CAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C2C[NH2+]C2)CCO1 ZINC000424282012 282379171 /nfs/dbraw/zinc/37/91/71/282379171.db2.gz KMPIJKDDBUQANT-JTQLQIEISA-N 2 2 270.333 -2.150 20 0 CAADLP C[NH+](CC(O)C[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512164898 282379672 /nfs/dbraw/zinc/37/96/72/282379672.db2.gz JHGGHQALQPGABA-FDYHWXHSSA-N 2 2 290.360 -2.270 20 0 CAADLP C[NH+](CC(O)C[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512164898 282379675 /nfs/dbraw/zinc/37/96/75/282379675.db2.gz JHGGHQALQPGABA-FDYHWXHSSA-N 2 2 290.360 -2.270 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000673514408 545594805 /nfs/dbraw/zinc/59/48/05/545594805.db2.gz GAEXEDWMIJDCKU-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000673514408 545594808 /nfs/dbraw/zinc/59/48/08/545594808.db2.gz GAEXEDWMIJDCKU-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000673514408 545594811 /nfs/dbraw/zinc/59/48/11/545594811.db2.gz GAEXEDWMIJDCKU-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000673514408 545594815 /nfs/dbraw/zinc/59/48/15/545594815.db2.gz GAEXEDWMIJDCKU-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000673531855 545594755 /nfs/dbraw/zinc/59/47/55/545594755.db2.gz OOYKGBBLMBJGRP-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000673531855 545594758 /nfs/dbraw/zinc/59/47/58/545594758.db2.gz OOYKGBBLMBJGRP-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000673531850 545595381 /nfs/dbraw/zinc/59/53/81/545595381.db2.gz OOYKGBBLMBJGRP-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000673531850 545595385 /nfs/dbraw/zinc/59/53/85/545595385.db2.gz OOYKGBBLMBJGRP-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000673514413 545595533 /nfs/dbraw/zinc/59/55/33/545595533.db2.gz GAEXEDWMIJDCKU-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000673514413 545595539 /nfs/dbraw/zinc/59/55/39/545595539.db2.gz GAEXEDWMIJDCKU-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000673514413 545595545 /nfs/dbraw/zinc/59/55/45/545595545.db2.gz GAEXEDWMIJDCKU-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000673514413 545595548 /nfs/dbraw/zinc/59/55/48/545595548.db2.gz GAEXEDWMIJDCKU-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP O[C@@H]1C[C@H](O)C[NH+](CCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674498240 545598975 /nfs/dbraw/zinc/59/89/75/545598975.db2.gz PDFFJABKIRHZAB-MPZDIEGVSA-N 2 2 274.361 -1.769 20 0 CAADLP O[C@@H]1C[C@H](O)C[NH+](CCC[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674498240 545598976 /nfs/dbraw/zinc/59/89/76/545598976.db2.gz PDFFJABKIRHZAB-MPZDIEGVSA-N 2 2 274.361 -1.769 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000357904991 299216239 /nfs/dbraw/zinc/21/62/39/299216239.db2.gz BUJRDOPKFQKTNS-BJDJZHNGSA-N 2 2 271.361 -1.065 20 0 CAADLP COC(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000496322657 291174591 /nfs/dbraw/zinc/17/45/91/291174591.db2.gz JBVAPVQGNFTPFX-SECBINFHSA-N 2 2 258.322 -1.214 20 0 CAADLP COC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000496322657 291174594 /nfs/dbraw/zinc/17/45/94/291174594.db2.gz JBVAPVQGNFTPFX-SECBINFHSA-N 2 2 258.322 -1.214 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000419682834 296033675 /nfs/dbraw/zinc/03/36/75/296033675.db2.gz KGGQIJNYNRAZGF-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]C1 ZINC000574275457 335005907 /nfs/dbraw/zinc/00/59/07/335005907.db2.gz FUNARFSLUGLMDX-MNOVXSKESA-N 2 2 268.361 -1.078 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1COC[C@H]1O ZINC000574337766 335012111 /nfs/dbraw/zinc/01/21/11/335012111.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000574337766 335012112 /nfs/dbraw/zinc/01/21/12/335012112.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000574337766 335012114 /nfs/dbraw/zinc/01/21/14/335012114.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584005436 372791860 /nfs/dbraw/zinc/79/18/60/372791860.db2.gz UEDGJLURTICJOI-DVVUODLYSA-N 2 2 266.345 -1.103 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584005436 372791867 /nfs/dbraw/zinc/79/18/67/372791867.db2.gz UEDGJLURTICJOI-DVVUODLYSA-N 2 2 266.345 -1.103 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584005437 372792148 /nfs/dbraw/zinc/79/21/48/372792148.db2.gz UEDGJLURTICJOI-FBIMIBRVSA-N 2 2 266.345 -1.103 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584005437 372792155 /nfs/dbraw/zinc/79/21/55/372792155.db2.gz UEDGJLURTICJOI-FBIMIBRVSA-N 2 2 266.345 -1.103 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584005439 372792451 /nfs/dbraw/zinc/79/24/51/372792451.db2.gz UEDGJLURTICJOI-MIMYLULJSA-N 2 2 266.345 -1.103 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584005439 372792457 /nfs/dbraw/zinc/79/24/57/372792457.db2.gz UEDGJLURTICJOI-MIMYLULJSA-N 2 2 266.345 -1.103 20 0 CAADLP COCC[NH2+]CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237277332 372804340 /nfs/dbraw/zinc/80/43/40/372804340.db2.gz GJXQXYHZHKVXRW-UHFFFAOYSA-N 2 2 258.322 -2.230 20 0 CAADLP C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237123557 372805033 /nfs/dbraw/zinc/80/50/33/372805033.db2.gz WYEGZFVVDXATNV-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP C[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237123557 372805043 /nfs/dbraw/zinc/80/50/43/372805043.db2.gz WYEGZFVVDXATNV-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237291647 372805178 /nfs/dbraw/zinc/80/51/78/372805178.db2.gz FTCXVCWGEXSFKN-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800392 372805503 /nfs/dbraw/zinc/80/55/03/372805503.db2.gz GILYHYKEYDJGKR-UHFFFAOYSA-N 2 2 291.355 -1.199 20 0 CAADLP C[C@](C[NH3+])(NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000237593156 372805600 /nfs/dbraw/zinc/80/56/00/372805600.db2.gz PFYBSMMHJSTDQI-GFCCVEGCSA-N 2 2 254.334 -1.338 20 0 CAADLP C[NH2+]CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237324686 372805989 /nfs/dbraw/zinc/80/59/89/372805989.db2.gz DRVNCWPPTVVTKC-UHFFFAOYSA-N 2 2 268.361 -1.124 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000120771269 372806204 /nfs/dbraw/zinc/80/62/04/372806204.db2.gz WRMALZLSKHXOAZ-SNVBAGLBSA-N 2 2 254.334 -1.290 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000120771269 372806206 /nfs/dbraw/zinc/80/62/06/372806206.db2.gz WRMALZLSKHXOAZ-SNVBAGLBSA-N 2 2 254.334 -1.290 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728600 372807672 /nfs/dbraw/zinc/80/76/72/372807672.db2.gz KFMCOXVHBVGTAI-SRVKXCTJSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728600 372807681 /nfs/dbraw/zinc/80/76/81/372807681.db2.gz KFMCOXVHBVGTAI-SRVKXCTJSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000642728598 372808461 /nfs/dbraw/zinc/80/84/61/372808461.db2.gz KFMCOXVHBVGTAI-QJPTWQEYSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728598 372808472 /nfs/dbraw/zinc/80/84/72/372808472.db2.gz KFMCOXVHBVGTAI-QJPTWQEYSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000642728651 372810368 /nfs/dbraw/zinc/81/03/68/372810368.db2.gz PDVMULYLUVIIHR-WOPDTQHZSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728651 372810371 /nfs/dbraw/zinc/81/03/71/372810371.db2.gz PDVMULYLUVIIHR-WOPDTQHZSA-N 2 2 298.387 -1.358 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@H]1CCC[NH2+]C1 ZINC000238107244 372811916 /nfs/dbraw/zinc/81/19/16/372811916.db2.gz QPOBDNSVPQPPMA-LLVKDONJSA-N 2 2 268.361 -1.076 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCCN1CC[NH2+]CC1 ZINC000238105825 372812850 /nfs/dbraw/zinc/81/28/50/372812850.db2.gz OUIRIQCJYQIYBZ-UHFFFAOYSA-N 2 2 283.376 -2.170 20 0 CAADLP CC(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000557191786 372849963 /nfs/dbraw/zinc/84/99/63/372849963.db2.gz JHEQDOAGVZYPGQ-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CC(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000557191786 372849977 /nfs/dbraw/zinc/84/99/77/372849977.db2.gz JHEQDOAGVZYPGQ-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000128932481 372866359 /nfs/dbraw/zinc/86/63/59/372866359.db2.gz CJTFJZHRXOLZOB-NXEZZACHSA-N 2 2 254.334 -1.196 20 0 CAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600711635 372892263 /nfs/dbraw/zinc/89/22/63/372892263.db2.gz SYIBLJKWABWQSD-VHSXEESVSA-N 2 2 290.389 -1.878 20 0 CAADLP CN(C)S(=O)(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600711635 372892266 /nfs/dbraw/zinc/89/22/66/372892266.db2.gz SYIBLJKWABWQSD-VHSXEESVSA-N 2 2 290.389 -1.878 20 0 CAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600711636 372892519 /nfs/dbraw/zinc/89/25/19/372892519.db2.gz SYIBLJKWABWQSD-ZJUUUORDSA-N 2 2 290.389 -1.878 20 0 CAADLP CN(C)S(=O)(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600711636 372892524 /nfs/dbraw/zinc/89/25/24/372892524.db2.gz SYIBLJKWABWQSD-ZJUUUORDSA-N 2 2 290.389 -1.878 20 0 CAADLP C[NH+](C)CCN1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623852519 372887760 /nfs/dbraw/zinc/88/77/60/372887760.db2.gz ZNYGSPIKPFHBHQ-UHFFFAOYSA-N 2 2 280.380 -1.443 20 0 CAADLP [NH3+]CC(=O)NCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037623077 372904655 /nfs/dbraw/zinc/90/46/55/372904655.db2.gz OIJLQJLXEKTCFW-UHFFFAOYSA-N 2 2 277.328 -1.195 20 0 CAADLP COC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000643770532 372906267 /nfs/dbraw/zinc/90/62/67/372906267.db2.gz KYGOCPZJARHISU-CYBMUJFWSA-N 2 2 271.361 -1.109 20 0 CAADLP COC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000643770533 372906561 /nfs/dbraw/zinc/90/65/61/372906561.db2.gz KYGOCPZJARHISU-ZDUSSCGKSA-N 2 2 271.361 -1.109 20 0 CAADLP C[NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000237200354 372911408 /nfs/dbraw/zinc/91/14/08/372911408.db2.gz HMWQQKAMRVJOKK-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237113363 372911934 /nfs/dbraw/zinc/91/19/34/372911934.db2.gz YUWOFKJRCQNZKS-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP CN1CC[C@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000116351107 372914902 /nfs/dbraw/zinc/91/49/02/372914902.db2.gz VNVPLVAQQREXCP-NSHDSACASA-N 2 2 268.361 -1.077 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000626077650 372918416 /nfs/dbraw/zinc/91/84/16/372918416.db2.gz OBFWIMIUJGBTNJ-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000626077650 372918425 /nfs/dbraw/zinc/91/84/25/372918425.db2.gz OBFWIMIUJGBTNJ-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237396400 372922569 /nfs/dbraw/zinc/92/25/69/372922569.db2.gz INPICRBZFQOWTD-SECBINFHSA-N 2 2 254.334 -1.244 20 0 CAADLP CC(=O)N1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107576176 372952072 /nfs/dbraw/zinc/95/20/72/372952072.db2.gz VADBVVPQGXLHKM-STQMWFEESA-N 2 2 280.372 -1.172 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919718 372925907 /nfs/dbraw/zinc/92/59/07/372925907.db2.gz DNDPAPUVRVCWGG-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000087083652 372953077 /nfs/dbraw/zinc/95/30/77/372953077.db2.gz HZPLNMQSXUXBHQ-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000087083652 372953080 /nfs/dbraw/zinc/95/30/80/372953080.db2.gz HZPLNMQSXUXBHQ-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP CCS(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000390264794 372944384 /nfs/dbraw/zinc/94/43/84/372944384.db2.gz PJAZMGRPNPAPKJ-NSHDSACASA-N 2 2 279.406 -1.028 20 0 CAADLP CCS(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000390264793 372944704 /nfs/dbraw/zinc/94/47/04/372944704.db2.gz PJAZMGRPNPAPKJ-LLVKDONJSA-N 2 2 279.406 -1.028 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094573156 372966940 /nfs/dbraw/zinc/96/69/40/372966940.db2.gz DSKAMYYXDNDAOL-VWYCJHECSA-N 2 2 257.334 -1.061 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094573156 372966950 /nfs/dbraw/zinc/96/69/50/372966950.db2.gz DSKAMYYXDNDAOL-VWYCJHECSA-N 2 2 257.334 -1.061 20 0 CAADLP C[N@@H+]1CCN(C(=O)COC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000570396101 372993918 /nfs/dbraw/zinc/99/39/18/372993918.db2.gz XDOWBRDRKHPXID-LLVKDONJSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)COC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000570396101 372993921 /nfs/dbraw/zinc/99/39/21/372993921.db2.gz XDOWBRDRKHPXID-LLVKDONJSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCNC(=O)C1)C1CC1 ZINC000570510094 372997476 /nfs/dbraw/zinc/99/74/76/372997476.db2.gz RNLIAYCRBNUPOG-GFCCVEGCSA-N 2 2 270.377 -1.537 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCNC(=O)C1)C1CC1 ZINC000570510094 372997481 /nfs/dbraw/zinc/99/74/81/372997481.db2.gz RNLIAYCRBNUPOG-GFCCVEGCSA-N 2 2 270.377 -1.537 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643893 373000045 /nfs/dbraw/zinc/00/00/45/373000045.db2.gz BUSRCIAJDAQCSW-RYUDHWBXSA-N 3 2 295.387 -1.948 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643893 373000056 /nfs/dbraw/zinc/00/00/56/373000056.db2.gz BUSRCIAJDAQCSW-RYUDHWBXSA-N 3 2 295.387 -1.948 20 0 CAADLP CN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000572781122 373000978 /nfs/dbraw/zinc/00/09/78/373000978.db2.gz CGEWTBTYBOTHLB-AXFHLTTASA-N 2 2 266.345 -1.149 20 0 CAADLP CN1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000572781122 373000986 /nfs/dbraw/zinc/00/09/86/373000986.db2.gz CGEWTBTYBOTHLB-AXFHLTTASA-N 2 2 266.345 -1.149 20 0 CAADLP CN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000572781125 373002406 /nfs/dbraw/zinc/00/24/06/373002406.db2.gz CGEWTBTYBOTHLB-VWYCJHECSA-N 2 2 266.345 -1.149 20 0 CAADLP CN1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000572781125 373002407 /nfs/dbraw/zinc/00/24/07/373002407.db2.gz CGEWTBTYBOTHLB-VWYCJHECSA-N 2 2 266.345 -1.149 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000569817554 372982993 /nfs/dbraw/zinc/98/29/93/372982993.db2.gz PIHMIRDGOUYWLS-NSHDSACASA-N 2 2 283.376 -1.107 20 0 CAADLP C[N@H+]1CCN(C(=O)NCCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000569817554 372983002 /nfs/dbraw/zinc/98/30/02/372983002.db2.gz PIHMIRDGOUYWLS-NSHDSACASA-N 2 2 283.376 -1.107 20 0 CAADLP C[N@@H+]1CCN(C(=O)Cn2ccccc2=O)[C@@H](C[NH3+])C1 ZINC000570089382 372987261 /nfs/dbraw/zinc/98/72/61/372987261.db2.gz IEHBMCRRDFHOSK-NSHDSACASA-N 2 2 264.329 -1.050 20 0 CAADLP C[N@H+]1CCN(C(=O)Cn2ccccc2=O)[C@@H](C[NH3+])C1 ZINC000570089382 372987273 /nfs/dbraw/zinc/98/72/73/372987273.db2.gz IEHBMCRRDFHOSK-NSHDSACASA-N 2 2 264.329 -1.050 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000162513717 373010663 /nfs/dbraw/zinc/01/06/63/373010663.db2.gz XZZGRYDYKUBQJT-WDEREUQCSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000162513717 373010670 /nfs/dbraw/zinc/01/06/70/373010670.db2.gz XZZGRYDYKUBQJT-WDEREUQCSA-N 3 2 256.350 -1.534 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107312 372988342 /nfs/dbraw/zinc/98/83/42/372988342.db2.gz LDRINWQLFLFACW-GHMZBOCLSA-N 2 2 266.345 -1.244 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107312 372988346 /nfs/dbraw/zinc/98/83/46/372988346.db2.gz LDRINWQLFLFACW-GHMZBOCLSA-N 2 2 266.345 -1.244 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CCO ZINC000624123932 373020555 /nfs/dbraw/zinc/02/05/55/373020555.db2.gz UCWBFUZLTWVHRW-SSDOTTSWSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CCO ZINC000624123932 373020559 /nfs/dbraw/zinc/02/05/59/373020559.db2.gz UCWBFUZLTWVHRW-SSDOTTSWSA-N 2 2 253.310 -1.800 20 0 CAADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642994808 373020742 /nfs/dbraw/zinc/02/07/42/373020742.db2.gz FPCMZBVHZNDSBK-MRVPVSSYSA-N 2 2 278.303 -1.093 20 0 CAADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642994808 373020748 /nfs/dbraw/zinc/02/07/48/373020748.db2.gz FPCMZBVHZNDSBK-MRVPVSSYSA-N 2 2 278.303 -1.093 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000592245143 373069193 /nfs/dbraw/zinc/06/91/93/373069193.db2.gz PHGPJCJEYIXKCT-VIFPVBQESA-N 2 2 259.306 -1.987 20 0 CAADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC(N)=O)CCO2 ZINC000592181512 373069210 /nfs/dbraw/zinc/06/92/10/373069210.db2.gz GLYSNBZSKBKYOR-UHFFFAOYSA-N 2 2 270.333 -1.022 20 0 CAADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC(N)=O)CCO2 ZINC000592181512 373069214 /nfs/dbraw/zinc/06/92/14/373069214.db2.gz GLYSNBZSKBKYOR-UHFFFAOYSA-N 2 2 270.333 -1.022 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000592113395 373064961 /nfs/dbraw/zinc/06/49/61/373064961.db2.gz RHXLGZGBBOXKTH-JTQLQIEISA-N 2 2 273.333 -1.333 20 0 CAADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197640 373067076 /nfs/dbraw/zinc/06/70/76/373067076.db2.gz FUIKXCXVUMKFPR-RYUDHWBXSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197640 373067078 /nfs/dbraw/zinc/06/70/78/373067078.db2.gz FUIKXCXVUMKFPR-RYUDHWBXSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000592956989 373084574 /nfs/dbraw/zinc/08/45/74/373084574.db2.gz KJASZCZGGKCEHI-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000592956989 373084584 /nfs/dbraw/zinc/08/45/84/373084584.db2.gz KJASZCZGGKCEHI-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592960187 373084804 /nfs/dbraw/zinc/08/48/04/373084804.db2.gz ZPSJODLGYAWTIB-SDDRHHMPSA-N 2 2 299.371 -1.066 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052177 373086680 /nfs/dbraw/zinc/08/66/80/373086680.db2.gz OJJQANIIEOJQNH-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052177 373086690 /nfs/dbraw/zinc/08/66/90/373086690.db2.gz OJJQANIIEOJQNH-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP CCO[C@@H]1C[N@H+](CC(=O)NCCC(=O)OC)C[C@H]1C[NH3+] ZINC000593728957 373094138 /nfs/dbraw/zinc/09/41/38/373094138.db2.gz BFBQYCAMVYNHTR-GHMZBOCLSA-N 2 2 287.360 -1.039 20 0 CAADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCC(=O)OC)C[C@H]1C[NH3+] ZINC000593728957 373094150 /nfs/dbraw/zinc/09/41/50/373094150.db2.gz BFBQYCAMVYNHTR-GHMZBOCLSA-N 2 2 287.360 -1.039 20 0 CAADLP COCCN(CC(=O)OC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593908001 373095860 /nfs/dbraw/zinc/09/58/60/373095860.db2.gz XZLJLBQAGSTZQY-SNVBAGLBSA-N 2 2 275.349 -1.087 20 0 CAADLP Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000594701870 373102625 /nfs/dbraw/zinc/10/26/25/373102625.db2.gz PLZXHNKTHJWFBA-UWVGGRQHSA-N 2 2 291.359 -1.006 20 0 CAADLP Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000594701870 373102631 /nfs/dbraw/zinc/10/26/31/373102631.db2.gz PLZXHNKTHJWFBA-UWVGGRQHSA-N 2 2 291.359 -1.006 20 0 CAADLP CNS(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875147 373104505 /nfs/dbraw/zinc/10/45/05/373104505.db2.gz XXZCBSMHCPHSCI-VHSXEESVSA-N 2 2 290.389 -1.831 20 0 CAADLP CNS(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875147 373104510 /nfs/dbraw/zinc/10/45/10/373104510.db2.gz XXZCBSMHCPHSCI-VHSXEESVSA-N 2 2 290.389 -1.831 20 0 CAADLP CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876400 373105147 /nfs/dbraw/zinc/10/51/47/373105147.db2.gz XMCPNHXVPVNKEW-VWYCJHECSA-N 2 2 266.345 -1.149 20 0 CAADLP CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876400 373105152 /nfs/dbraw/zinc/10/51/52/373105152.db2.gz XMCPNHXVPVNKEW-VWYCJHECSA-N 2 2 266.345 -1.149 20 0 CAADLP CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876397 373105413 /nfs/dbraw/zinc/10/54/13/373105413.db2.gz XMCPNHXVPVNKEW-AXFHLTTASA-N 2 2 266.345 -1.149 20 0 CAADLP CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876397 373105420 /nfs/dbraw/zinc/10/54/20/373105420.db2.gz XMCPNHXVPVNKEW-AXFHLTTASA-N 2 2 266.345 -1.149 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875724 373105727 /nfs/dbraw/zinc/10/57/27/373105727.db2.gz WIKCVDBAUBETKL-QJPTWQEYSA-N 2 2 298.387 -1.229 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875724 373105729 /nfs/dbraw/zinc/10/57/29/373105729.db2.gz WIKCVDBAUBETKL-QJPTWQEYSA-N 2 2 298.387 -1.229 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873655 373107237 /nfs/dbraw/zinc/10/72/37/373107237.db2.gz GUIJPBAMOVGFGD-MNOVXSKESA-N 2 2 282.344 -1.911 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873655 373107247 /nfs/dbraw/zinc/10/72/47/373107247.db2.gz GUIJPBAMOVGFGD-MNOVXSKESA-N 2 2 282.344 -1.911 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874168 373107653 /nfs/dbraw/zinc/10/76/53/373107653.db2.gz LPQNVJHPIXRKMG-NXEZZACHSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874168 373107658 /nfs/dbraw/zinc/10/76/58/373107658.db2.gz LPQNVJHPIXRKMG-NXEZZACHSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873654 373107718 /nfs/dbraw/zinc/10/77/18/373107718.db2.gz GUIJPBAMOVGFGD-GHMZBOCLSA-N 2 2 282.344 -1.911 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873654 373107729 /nfs/dbraw/zinc/10/77/29/373107729.db2.gz GUIJPBAMOVGFGD-GHMZBOCLSA-N 2 2 282.344 -1.911 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874586 373110181 /nfs/dbraw/zinc/11/01/81/373110181.db2.gz GDHCBPXDRVUWIP-DJLDLDEBSA-N 2 2 283.332 -1.926 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874586 373110185 /nfs/dbraw/zinc/11/01/85/373110185.db2.gz GDHCBPXDRVUWIP-DJLDLDEBSA-N 2 2 283.332 -1.926 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874171 373110228 /nfs/dbraw/zinc/11/02/28/373110228.db2.gz LPQNVJHPIXRKMG-ZJUUUORDSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874171 373110232 /nfs/dbraw/zinc/11/02/32/373110232.db2.gz LPQNVJHPIXRKMG-ZJUUUORDSA-N 2 2 252.318 -1.491 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874587 373110340 /nfs/dbraw/zinc/11/03/40/373110340.db2.gz GDHCBPXDRVUWIP-XHNCKOQMSA-N 2 2 283.332 -1.926 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874587 373110342 /nfs/dbraw/zinc/11/03/42/373110342.db2.gz GDHCBPXDRVUWIP-XHNCKOQMSA-N 2 2 283.332 -1.926 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595658597 373118344 /nfs/dbraw/zinc/11/83/44/373118344.db2.gz FYYKJGLGVYENDG-TUAOUCFPSA-N 2 2 290.360 -1.154 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595658597 373118350 /nfs/dbraw/zinc/11/83/50/373118350.db2.gz FYYKJGLGVYENDG-TUAOUCFPSA-N 2 2 290.360 -1.154 20 0 CAADLP COC(=O)CC[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000599062286 373167817 /nfs/dbraw/zinc/16/78/17/373167817.db2.gz MTVNYFHPYVYVBL-QMMMGPOBSA-N 2 2 295.347 -1.230 20 0 CAADLP COC(=O)CC[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000599062286 373167823 /nfs/dbraw/zinc/16/78/23/373167823.db2.gz MTVNYFHPYVYVBL-QMMMGPOBSA-N 2 2 295.347 -1.230 20 0 CAADLP COC(=O)CCN1CCC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595891592 373119560 /nfs/dbraw/zinc/11/95/60/373119560.db2.gz IUXNOZSOJHYSKT-QWRGUYRKSA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)CCN1CCC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595891592 373119564 /nfs/dbraw/zinc/11/95/64/373119564.db2.gz IUXNOZSOJHYSKT-QWRGUYRKSA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)CCN1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595890413 373120024 /nfs/dbraw/zinc/12/00/24/373120024.db2.gz DAMJKRUZTMNQFF-VHSXEESVSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595890413 373120029 /nfs/dbraw/zinc/12/00/29/373120029.db2.gz DAMJKRUZTMNQFF-VHSXEESVSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)CCN1CCC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595891591 373120566 /nfs/dbraw/zinc/12/05/66/373120566.db2.gz IUXNOZSOJHYSKT-MNOVXSKESA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)CCN1CCC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595891591 373120569 /nfs/dbraw/zinc/12/05/69/373120569.db2.gz IUXNOZSOJHYSKT-MNOVXSKESA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893106 373120923 /nfs/dbraw/zinc/12/09/23/373120923.db2.gz PFGQZABDYLLOTL-QWRGUYRKSA-N 2 2 297.355 -1.129 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893106 373120925 /nfs/dbraw/zinc/12/09/25/373120925.db2.gz PFGQZABDYLLOTL-QWRGUYRKSA-N 2 2 297.355 -1.129 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902689 373122634 /nfs/dbraw/zinc/12/26/34/373122634.db2.gz GCZXHRMSAHTVJO-IJLUTSLNSA-N 3 2 280.372 -1.249 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902689 373122641 /nfs/dbraw/zinc/12/26/41/373122641.db2.gz GCZXHRMSAHTVJO-IJLUTSLNSA-N 3 2 280.372 -1.249 20 0 CAADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000595954206 373124049 /nfs/dbraw/zinc/12/40/49/373124049.db2.gz IBCGEZYEDFIATH-JTQLQIEISA-N 2 2 285.344 -1.584 20 0 CAADLP COC(=O)CNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910162 373216291 /nfs/dbraw/zinc/21/62/91/373216291.db2.gz LARNATPRBWTCIK-IVZWLZJFSA-N 2 2 255.318 -1.185 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563101759 373219763 /nfs/dbraw/zinc/21/97/63/373219763.db2.gz NNNSHUVMGAVGNJ-JTQLQIEISA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563101759 373219767 /nfs/dbraw/zinc/21/97/67/373219767.db2.gz NNNSHUVMGAVGNJ-JTQLQIEISA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCCNC2=O)[C@@H](C[NH3+])C1 ZINC000563101357 373219974 /nfs/dbraw/zinc/21/99/74/373219974.db2.gz DWVLXJGKKWIETE-JTQLQIEISA-N 2 2 269.349 -1.497 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCCNC2=O)[C@@H](C[NH3+])C1 ZINC000563101357 373219978 /nfs/dbraw/zinc/21/99/78/373219978.db2.gz DWVLXJGKKWIETE-JTQLQIEISA-N 2 2 269.349 -1.497 20 0 CAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563139701 373222196 /nfs/dbraw/zinc/22/21/96/373222196.db2.gz BRFRDQKMJJDXFO-RXGFPQBGSA-N 2 2 276.377 -1.212 20 0 CAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563139701 373222204 /nfs/dbraw/zinc/22/22/04/373222204.db2.gz BRFRDQKMJJDXFO-RXGFPQBGSA-N 2 2 276.377 -1.212 20 0 CAADLP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567829758 373185537 /nfs/dbraw/zinc/18/55/37/373185537.db2.gz NADHFBWCWGIUPY-IUCAKERBSA-N 2 2 278.378 -1.975 20 0 CAADLP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567829758 373185542 /nfs/dbraw/zinc/18/55/42/373185542.db2.gz NADHFBWCWGIUPY-IUCAKERBSA-N 2 2 278.378 -1.975 20 0 CAADLP C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567829756 373188014 /nfs/dbraw/zinc/18/80/14/373188014.db2.gz NADHFBWCWGIUPY-BDAKNGLRSA-N 2 2 278.378 -1.975 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H](C[NH3+])C1 ZINC000563152523 373225060 /nfs/dbraw/zinc/22/50/60/373225060.db2.gz CHPXGEDSJRQOOX-SNVBAGLBSA-N 2 2 297.359 -1.580 20 0 CAADLP C[N@H+]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H](C[NH3+])C1 ZINC000563152523 373225065 /nfs/dbraw/zinc/22/50/65/373225065.db2.gz CHPXGEDSJRQOOX-SNVBAGLBSA-N 2 2 297.359 -1.580 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)CC1 ZINC000602200186 373197433 /nfs/dbraw/zinc/19/74/33/373197433.db2.gz GNFAKCNJDJVTSV-LLVKDONJSA-N 2 2 293.375 -1.042 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)CC1 ZINC000602200186 373197440 /nfs/dbraw/zinc/19/74/40/373197440.db2.gz GNFAKCNJDJVTSV-LLVKDONJSA-N 2 2 293.375 -1.042 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602544445 373202162 /nfs/dbraw/zinc/20/21/62/373202162.db2.gz BFFIYYYMAYTZIU-IUCAKERBSA-N 2 2 259.306 -1.676 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602544445 373202170 /nfs/dbraw/zinc/20/21/70/373202170.db2.gz BFFIYYYMAYTZIU-IUCAKERBSA-N 2 2 259.306 -1.676 20 0 CAADLP COC(=O)[C@](C)(O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989110 373209463 /nfs/dbraw/zinc/20/94/63/373209463.db2.gz DHXCCJRTRNPQSB-CYBMUJFWSA-N 2 2 287.360 -1.384 20 0 CAADLP COC(=O)[C@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989110 373209473 /nfs/dbraw/zinc/20/94/73/373209473.db2.gz DHXCCJRTRNPQSB-CYBMUJFWSA-N 2 2 287.360 -1.384 20 0 CAADLP COCC[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000570959507 373272661 /nfs/dbraw/zinc/27/26/61/373272661.db2.gz FQEWVMRUKOYUBF-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP COCC[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000570959507 373272666 /nfs/dbraw/zinc/27/26/66/373272666.db2.gz FQEWVMRUKOYUBF-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCNC(=O)C2)CC1 ZINC000338233228 373274639 /nfs/dbraw/zinc/27/46/39/373274639.db2.gz JLMZERNUKPBHLE-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCNC(=O)C2)CC1 ZINC000338233228 373274650 /nfs/dbraw/zinc/27/46/50/373274650.db2.gz JLMZERNUKPBHLE-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP C[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000310093007 373238820 /nfs/dbraw/zinc/23/88/20/373238820.db2.gz KBNOFWBXZAEMHK-JTQLQIEISA-N 2 2 263.363 -1.448 20 0 CAADLP CC[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000310793207 373245893 /nfs/dbraw/zinc/24/58/93/373245893.db2.gz BHNODZOFYQNHKR-NSHDSACASA-N 2 2 277.390 -1.058 20 0 CAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443273 373259209 /nfs/dbraw/zinc/25/92/09/373259209.db2.gz LPRWFVJFBHNEMX-AAEUAGOBSA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443273 373259210 /nfs/dbraw/zinc/25/92/10/373259210.db2.gz LPRWFVJFBHNEMX-AAEUAGOBSA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443274 373259457 /nfs/dbraw/zinc/25/94/57/373259457.db2.gz LPRWFVJFBHNEMX-DGCLKSJQSA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443274 373259459 /nfs/dbraw/zinc/25/94/59/373259459.db2.gz LPRWFVJFBHNEMX-DGCLKSJQSA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000337594834 373264387 /nfs/dbraw/zinc/26/43/87/373264387.db2.gz FFYNTVUESLJHKZ-CYBMUJFWSA-N 2 2 288.392 -1.070 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000563198255 373269878 /nfs/dbraw/zinc/26/98/78/373269878.db2.gz LQCCJJLFUYJGGD-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000563198255 373269880 /nfs/dbraw/zinc/26/98/80/373269880.db2.gz LQCCJJLFUYJGGD-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[NH+](C)CCOCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339710676 373296529 /nfs/dbraw/zinc/29/65/29/373296529.db2.gz MPNIGZVAUXAYJC-UHFFFAOYSA-N 2 2 297.359 -1.306 20 0 CAADLP C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638048300 373373726 /nfs/dbraw/zinc/37/37/26/373373726.db2.gz QUBUTQJTZMZJPO-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@]1(C(=O)NCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638047632 373374148 /nfs/dbraw/zinc/37/41/48/373374148.db2.gz ISLLKJVMEWCXOB-GFCCVEGCSA-N 2 2 257.334 -1.187 20 0 CAADLP C[C@H](C(=O)NCC[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638047951 373374725 /nfs/dbraw/zinc/37/47/25/373374725.db2.gz LAKGPSNYDXZTHA-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638068500 373375725 /nfs/dbraw/zinc/37/57/25/373375725.db2.gz CDVDUTOJYCOVFV-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638068499 373377068 /nfs/dbraw/zinc/37/70/68/373377068.db2.gz CDVDUTOJYCOVFV-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638069652 373377399 /nfs/dbraw/zinc/37/73/99/373377399.db2.gz LSIVHYHGHVYWDL-GARJFASQSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637803715 373350379 /nfs/dbraw/zinc/35/03/79/373350379.db2.gz GWXFSMCVSTUMJO-NXEZZACHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H](C(=O)NC1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637797613 373350891 /nfs/dbraw/zinc/35/08/91/373350891.db2.gz PRUKOBUAVUYLBY-VIFPVBQESA-N 2 2 254.334 -1.325 20 0 CAADLP CC[NH2+]CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637809153 373351305 /nfs/dbraw/zinc/35/13/05/373351305.db2.gz RAPRZODDDJKTNQ-JTQLQIEISA-N 2 2 256.350 -1.078 20 0 CAADLP C[C@H](C(=O)NCC1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637805848 373351917 /nfs/dbraw/zinc/35/19/17/373351917.db2.gz QZYKKYMPEMZGRV-SNVBAGLBSA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)NCC1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637805840 373352238 /nfs/dbraw/zinc/35/22/38/373352238.db2.gz QZYKKYMPEMZGRV-JTQLQIEISA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000637798603 373352364 /nfs/dbraw/zinc/35/23/64/373352364.db2.gz MJAGSKQOEJDMBF-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637814915 373353057 /nfs/dbraw/zinc/35/30/57/373353057.db2.gz QZVJYTGELFFAMM-WDEREUQCSA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637832856 373353239 /nfs/dbraw/zinc/35/32/39/373353239.db2.gz LJTJXEXJGNWZQN-LBPRGKRZSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637819841 373353418 /nfs/dbraw/zinc/35/34/18/373353418.db2.gz YKHCYTBBIVUMMQ-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637814914 373353734 /nfs/dbraw/zinc/35/37/34/373353734.db2.gz QZVJYTGELFFAMM-QWRGUYRKSA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637811123 373353882 /nfs/dbraw/zinc/35/38/82/373353882.db2.gz NCSACHYFEGTVAV-NSHDSACASA-N 2 2 283.376 -2.172 20 0 CAADLP C[C@H](C(=O)NCC[NH2+]C1CC1)N1CC[NH2+]CC1=O ZINC000637827926 373354686 /nfs/dbraw/zinc/35/46/86/373354686.db2.gz WNAIQMLQCFFANE-SECBINFHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637810217 373355001 /nfs/dbraw/zinc/35/50/01/373355001.db2.gz JZELKZWWKPXMNE-SNVBAGLBSA-N 2 2 297.359 -2.645 20 0 CAADLP C[C@@H](C(=O)NCC[NH2+]C1CC1)N1CC[NH2+]CC1=O ZINC000637827927 373355118 /nfs/dbraw/zinc/35/51/18/373355118.db2.gz WNAIQMLQCFFANE-VIFPVBQESA-N 2 2 254.334 -1.325 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000637864056 373356564 /nfs/dbraw/zinc/35/65/64/373356564.db2.gz KXHJACLDKMMDTL-NSHDSACASA-N 3 2 255.366 -2.007 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000637864056 373356573 /nfs/dbraw/zinc/35/65/73/373356573.db2.gz KXHJACLDKMMDTL-NSHDSACASA-N 3 2 255.366 -2.007 20 0 CAADLP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637854308 373356745 /nfs/dbraw/zinc/35/67/45/373356745.db2.gz GIINZWNYZKYTOU-WPRPVWTQSA-N 2 2 254.334 -1.340 20 0 CAADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637835682 373357049 /nfs/dbraw/zinc/35/70/49/373357049.db2.gz PYCKKUBCJRMBFD-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637865054 373357316 /nfs/dbraw/zinc/35/73/16/373357316.db2.gz ZMYNPDMGBJDTTI-QWRGUYRKSA-N 2 2 283.376 -2.092 20 0 CAADLP Cn1c(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c[nH]c1=O ZINC000637863812 373357334 /nfs/dbraw/zinc/35/73/34/373357334.db2.gz HGPZZCFCQSRBGI-QMMMGPOBSA-N 2 2 253.306 -1.159 20 0 CAADLP Cn1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c[nH]c1=O ZINC000637863812 373357339 /nfs/dbraw/zinc/35/73/39/373357339.db2.gz HGPZZCFCQSRBGI-QMMMGPOBSA-N 2 2 253.306 -1.159 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071705 373378749 /nfs/dbraw/zinc/37/87/49/373378749.db2.gz HWIDACBGBRESDA-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071705 373378752 /nfs/dbraw/zinc/37/87/52/373378752.db2.gz HWIDACBGBRESDA-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071707 373378849 /nfs/dbraw/zinc/37/88/49/373378849.db2.gz HWIDACBGBRESDA-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071707 373378854 /nfs/dbraw/zinc/37/88/54/373378854.db2.gz HWIDACBGBRESDA-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638080182 373378996 /nfs/dbraw/zinc/37/89/96/373378996.db2.gz LNXWDRHBKMFASW-UWVGGRQHSA-N 2 2 256.350 -1.127 20 0 CAADLP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638048301 373372952 /nfs/dbraw/zinc/37/29/52/373372952.db2.gz QUBUTQJTZMZJPO-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638223590 373402069 /nfs/dbraw/zinc/40/20/69/373402069.db2.gz XMFZFZQYFSTCHS-DCAQKATOSA-N 2 2 286.351 -1.035 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1=O ZINC000638264714 373404226 /nfs/dbraw/zinc/40/42/26/373404226.db2.gz JSTRJPCDDYILLC-MNOVXSKESA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638255767 373404269 /nfs/dbraw/zinc/40/42/69/373404269.db2.gz MJRMXPIUDVGQAZ-IDKOKCKLSA-N 2 2 254.334 -1.245 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1=O ZINC000638264716 373404394 /nfs/dbraw/zinc/40/43/94/373404394.db2.gz JSTRJPCDDYILLC-WDEREUQCSA-N 2 2 284.360 -1.699 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638275546 373405367 /nfs/dbraw/zinc/40/53/67/373405367.db2.gz UKCADYKYXWULCD-WCQYABFASA-N 2 2 298.387 -1.227 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638275546 373405376 /nfs/dbraw/zinc/40/53/76/373405376.db2.gz UKCADYKYXWULCD-WCQYABFASA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC(CO)CO)CC1 ZINC000340250255 373409582 /nfs/dbraw/zinc/40/95/82/373409582.db2.gz JHCXMNFGOPTCKM-UHFFFAOYSA-N 2 2 288.392 -1.335 20 0 CAADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638335794 373414904 /nfs/dbraw/zinc/41/49/04/373414904.db2.gz UEBFIPPHNFQXJR-GUBZILKMSA-N 2 2 254.334 -1.245 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CC1=O ZINC000638338533 373416800 /nfs/dbraw/zinc/41/68/00/373416800.db2.gz YKOMXRLFVDURDV-ZJUUUORDSA-N 2 2 270.333 -2.089 20 0 CAADLP C[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638343866 373416851 /nfs/dbraw/zinc/41/68/51/373416851.db2.gz MMIRIQXPQIGXPD-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638343868 373416887 /nfs/dbraw/zinc/41/68/87/373416887.db2.gz MMIRIQXPQIGXPD-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638343870 373417227 /nfs/dbraw/zinc/41/72/27/373417227.db2.gz MMIRIQXPQIGXPD-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[NH2+]CCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638346586 373417566 /nfs/dbraw/zinc/41/75/66/373417566.db2.gz JSERNCDLZRDXIN-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH2+]CCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638346585 373418196 /nfs/dbraw/zinc/41/81/96/373418196.db2.gz JSERNCDLZRDXIN-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP CCO[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000638389979 373420369 /nfs/dbraw/zinc/42/03/69/373420369.db2.gz JVQKFMKPXMKOTQ-IJLUTSLNSA-N 2 2 298.387 -1.371 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CC1 ZINC000638445710 373422909 /nfs/dbraw/zinc/42/29/09/373422909.db2.gz HXZFUHGLFBDIHY-SNVBAGLBSA-N 2 2 257.334 -1.371 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638444880 373423076 /nfs/dbraw/zinc/42/30/76/373423076.db2.gz BTMLRGKCYWSNHB-SRVKXCTJSA-N 2 2 271.361 -1.125 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638446292 373423262 /nfs/dbraw/zinc/42/32/62/373423262.db2.gz NEAFBYBBVYSGHI-LPWJVIDDSA-N 2 2 283.372 -1.112 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638444835 373423285 /nfs/dbraw/zinc/42/32/85/373423285.db2.gz AVYUYOMRYBHHCT-NDBYEHHHSA-N 2 2 283.372 -1.397 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000638446293 373423452 /nfs/dbraw/zinc/42/34/52/373423452.db2.gz NEAFBYBBVYSGHI-XQHKEYJVSA-N 2 2 283.372 -1.112 20 0 CAADLP C[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638438759 373423564 /nfs/dbraw/zinc/42/35/64/373423564.db2.gz ZOZGJMWBLIGPQE-SNVBAGLBSA-N 2 2 282.344 -1.993 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000638446939 373425743 /nfs/dbraw/zinc/42/57/43/373425743.db2.gz XCRGREGODZCKPG-MNOVXSKESA-N 2 2 289.401 -1.200 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071706 373380098 /nfs/dbraw/zinc/38/00/98/373380098.db2.gz HWIDACBGBRESDA-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071706 373380102 /nfs/dbraw/zinc/38/01/02/373380102.db2.gz HWIDACBGBRESDA-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638080181 373380285 /nfs/dbraw/zinc/38/02/85/373380285.db2.gz LNXWDRHBKMFASW-NXEZZACHSA-N 2 2 256.350 -1.127 20 0 CAADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091251 373382001 /nfs/dbraw/zinc/38/20/01/373382001.db2.gz SBVZHQUWMWNYNY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091251 373382008 /nfs/dbraw/zinc/38/20/08/373382008.db2.gz SBVZHQUWMWNYNY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091252 373382440 /nfs/dbraw/zinc/38/24/40/373382440.db2.gz SBVZHQUWMWNYNY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091252 373382446 /nfs/dbraw/zinc/38/24/46/373382446.db2.gz SBVZHQUWMWNYNY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098229 373382465 /nfs/dbraw/zinc/38/24/65/373382465.db2.gz LCUBGBXBEFDTQS-OUAUKWLOSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098229 373382470 /nfs/dbraw/zinc/38/24/70/373382470.db2.gz LCUBGBXBEFDTQS-OUAUKWLOSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638089550 373382622 /nfs/dbraw/zinc/38/26/22/373382622.db2.gz BEYLJHYERRJJSM-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638089550 373382627 /nfs/dbraw/zinc/38/26/27/373382627.db2.gz BEYLJHYERRJJSM-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@H](C(=O)NCc1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000638114406 373385412 /nfs/dbraw/zinc/38/54/12/373385412.db2.gz IXZFFRBQCMWQEC-MRVPVSSYSA-N 2 2 251.290 -1.154 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098511 373385826 /nfs/dbraw/zinc/38/58/26/373385826.db2.gz BGFJZTDMJMJFHO-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098511 373385837 /nfs/dbraw/zinc/38/58/37/373385837.db2.gz BGFJZTDMJMJFHO-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638126000 373387525 /nfs/dbraw/zinc/38/75/25/373387525.db2.gz OJFDSVFLFOMGFX-UHFFFAOYSA-N 2 2 297.403 -1.700 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CC[NH2+]CC1 ZINC000638141376 373388693 /nfs/dbraw/zinc/38/86/93/373388693.db2.gz TUMKQFIXUTWSND-ZDUSSCGKSA-N 2 2 283.420 -1.356 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140086 373389137 /nfs/dbraw/zinc/38/91/37/373389137.db2.gz UECYSUMLIONUNF-RYUDHWBXSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140086 373389145 /nfs/dbraw/zinc/38/91/45/373389145.db2.gz UECYSUMLIONUNF-RYUDHWBXSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@H](C(=O)N1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638149216 373391116 /nfs/dbraw/zinc/39/11/16/373391116.db2.gz GQHRZSGBOPCVMJ-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638155716 373392190 /nfs/dbraw/zinc/39/21/90/373392190.db2.gz YAMALEABKKYTAQ-WPRPVWTQSA-N 2 2 254.334 -1.340 20 0 CAADLP C[C@@H](C(=O)NCC(F)(F)C[NH3+])N1CC[NH2+]CC1=O ZINC000638175564 373394508 /nfs/dbraw/zinc/39/45/08/373394508.db2.gz GIHCOEWGXWXSPY-ZETCQYMHSA-N 2 2 264.276 -1.483 20 0 CAADLP C[C@@H](C(=O)N1CCC[N@H+](C)CC1)N1CC[NH2+]CC1=O ZINC000638168445 373395474 /nfs/dbraw/zinc/39/54/74/373395474.db2.gz FPQTYNVMCPQSRT-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)N1CC[NH2+]CC1=O ZINC000638168445 373395486 /nfs/dbraw/zinc/39/54/86/373395486.db2.gz FPQTYNVMCPQSRT-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H](C(=O)NCC1=CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638176075 373395873 /nfs/dbraw/zinc/39/58/73/373395873.db2.gz UDCGRWVVZVPYGZ-JTQLQIEISA-N 2 2 266.345 -1.157 20 0 CAADLP C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638173543 373396068 /nfs/dbraw/zinc/39/60/68/373396068.db2.gz YKSQALZVUOPUGV-ZJUUUORDSA-N 2 2 270.333 -2.007 20 0 CAADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000638226398 373399923 /nfs/dbraw/zinc/39/99/23/373399923.db2.gz GCOJJEBVIFURQA-DGCLKSJQSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638227868 373400094 /nfs/dbraw/zinc/40/00/94/373400094.db2.gz BOSCAOUNIBONOS-IJLUTSLNSA-N 2 2 296.371 -1.604 20 0 CAADLP COC[C@@]1(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC000638228995 373400515 /nfs/dbraw/zinc/40/05/15/373400515.db2.gz JRVOVKUWQGPDQW-FZMZJTMJSA-N 2 2 298.387 -1.309 20 0 CAADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000638226380 373400672 /nfs/dbraw/zinc/40/06/72/373400672.db2.gz GCOJJEBVIFURQA-AAEUAGOBSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH2+]CCOCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000638586240 373439065 /nfs/dbraw/zinc/43/90/65/373439065.db2.gz LWQPNQLHICUMNF-UHFFFAOYSA-N 2 2 272.349 -1.887 20 0 CAADLP C[NH2+]CCOCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638574355 373439792 /nfs/dbraw/zinc/43/97/92/373439792.db2.gz CUMCACZDDQUVSD-JTQLQIEISA-N 2 2 272.349 -1.841 20 0 CAADLP C[NH2+]CCOCCNC(=O)CN1CC[NH2+]CC1=O ZINC000638584156 373440138 /nfs/dbraw/zinc/44/01/38/373440138.db2.gz OIHYJCGRYKMUSC-UHFFFAOYSA-N 2 2 258.322 -2.230 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638609203 373443148 /nfs/dbraw/zinc/44/31/48/373443148.db2.gz FMEIVJRFUAVJMK-ZYHUDNBSSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638609203 373443157 /nfs/dbraw/zinc/44/31/57/373443157.db2.gz FMEIVJRFUAVJMK-ZYHUDNBSSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638609176 373443449 /nfs/dbraw/zinc/44/34/49/373443449.db2.gz FHHPECCDFCPDKX-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638609176 373443453 /nfs/dbraw/zinc/44/34/53/373443453.db2.gz FHHPECCDFCPDKX-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638608551 373443575 /nfs/dbraw/zinc/44/35/75/373443575.db2.gz BOXSKHKQHAYXAD-GVXVVHGQSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638608551 373443579 /nfs/dbraw/zinc/44/35/79/373443579.db2.gz BOXSKHKQHAYXAD-GVXVVHGQSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638611843 373445592 /nfs/dbraw/zinc/44/55/92/373445592.db2.gz QXJOCBORNYOOQC-NSHDSACASA-N 2 2 256.350 -1.662 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638611843 373445599 /nfs/dbraw/zinc/44/55/99/373445599.db2.gz QXJOCBORNYOOQC-NSHDSACASA-N 2 2 256.350 -1.662 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638611990 373445886 /nfs/dbraw/zinc/44/58/86/373445886.db2.gz RKHWJSSYJGGBST-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638611990 373445891 /nfs/dbraw/zinc/44/58/91/373445891.db2.gz RKHWJSSYJGGBST-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638612022 373446183 /nfs/dbraw/zinc/44/61/83/373446183.db2.gz RTYBTLNHABLHSP-DCAQKATOSA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000638612022 373446188 /nfs/dbraw/zinc/44/61/88/373446188.db2.gz RTYBTLNHABLHSP-DCAQKATOSA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638611665 373446225 /nfs/dbraw/zinc/44/62/25/373446225.db2.gz PFUNRIMIRNUKSC-JTQLQIEISA-N 2 2 270.333 -2.135 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638611665 373446230 /nfs/dbraw/zinc/44/62/30/373446230.db2.gz PFUNRIMIRNUKSC-JTQLQIEISA-N 2 2 270.333 -2.135 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638612607 373446339 /nfs/dbraw/zinc/44/63/39/373446339.db2.gz VTEOPWPCLBOMAA-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638612607 373446344 /nfs/dbraw/zinc/44/63/44/373446344.db2.gz VTEOPWPCLBOMAA-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H](C(=O)NC1(C[NH3+])CCOCC1)N1CC[NH2+]CC1=O ZINC000638632759 373447956 /nfs/dbraw/zinc/44/79/56/373447956.db2.gz STHCJODAENHIIR-JTQLQIEISA-N 2 2 284.360 -1.569 20 0 CAADLP [NH3+]CCCOCCNC(=O)CN1CC[NH2+]CC1=O ZINC000638658578 373454247 /nfs/dbraw/zinc/45/42/47/373454247.db2.gz YHDZYYWKOJHBJZ-UHFFFAOYSA-N 2 2 258.322 -2.100 20 0 CAADLP C[C@@H](C(=O)N(C)CCOCC[NH3+])N1CC[NH2+]CC1=O ZINC000638670668 373455486 /nfs/dbraw/zinc/45/54/86/373455486.db2.gz PBIXRARPTYJVAH-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696820 373458689 /nfs/dbraw/zinc/45/86/89/373458689.db2.gz FCFYPDAOSYJHRP-AEJSXWLSSA-N 2 2 256.350 -1.012 20 0 CAADLP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CC[NH2+]CC1=O ZINC000638772496 373472778 /nfs/dbraw/zinc/47/27/78/373472778.db2.gz BIRDGMHSEVWFDI-IVZWLZJFSA-N 2 2 254.334 -1.327 20 0 CAADLP CC1(C)NC(=O)N(CCC[N@H+](CC[NH3+])CCO)C1=O ZINC000342398219 373477706 /nfs/dbraw/zinc/47/77/06/373477706.db2.gz IKIXFSZDDZVKGX-UHFFFAOYSA-N 2 2 272.349 -1.040 20 0 CAADLP CC1(C)NC(=O)N(CCC[N@@H+](CC[NH3+])CCO)C1=O ZINC000342398219 373477710 /nfs/dbraw/zinc/47/77/10/373477710.db2.gz IKIXFSZDDZVKGX-UHFFFAOYSA-N 2 2 272.349 -1.040 20 0 CAADLP C[C@H](C(=O)NCC1([NH3+])CCOCC1)N1CC[NH2+]CC1=O ZINC000638540137 373433323 /nfs/dbraw/zinc/43/33/23/373433323.db2.gz CFBYSUUHKCNZBD-SNVBAGLBSA-N 2 2 284.360 -1.569 20 0 CAADLP O=C(N1CC[NH+](CCc2cnccn2)CC1)C1(O)C[NH2+]C1 ZINC000639005595 373495510 /nfs/dbraw/zinc/49/55/10/373495510.db2.gz XRVXUBBCEJOSQX-UHFFFAOYSA-N 2 2 291.355 -1.502 20 0 CAADLP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH2+]CC1=O ZINC000638916698 373484376 /nfs/dbraw/zinc/48/43/76/373484376.db2.gz BHXNVSHKEVHFSL-UTLUCORTSA-N 2 2 252.318 -1.621 20 0 CAADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000638926883 373484417 /nfs/dbraw/zinc/48/44/17/373484417.db2.gz ONVMRLRZJUEXET-GARJFASQSA-N 2 2 266.345 -1.231 20 0 CAADLP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH2+]CC1=O ZINC000638916696 373484506 /nfs/dbraw/zinc/48/45/06/373484506.db2.gz BHXNVSHKEVHFSL-GUBZILKMSA-N 2 2 252.318 -1.621 20 0 CAADLP C[C@@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638929583 373484596 /nfs/dbraw/zinc/48/45/96/373484596.db2.gz GVQZWRXQYLXISS-KXUCPTDWSA-N 2 2 254.334 -1.245 20 0 CAADLP Cn1cnn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000617765614 373587356 /nfs/dbraw/zinc/58/73/56/373587356.db2.gz JLOBANLQGIRJIS-UHFFFAOYSA-N 2 2 298.391 -1.419 20 0 CAADLP Cn1cnn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000617765614 373587364 /nfs/dbraw/zinc/58/73/64/373587364.db2.gz JLOBANLQGIRJIS-UHFFFAOYSA-N 2 2 298.391 -1.419 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N1 ZINC000617761981 373587756 /nfs/dbraw/zinc/58/77/56/373587756.db2.gz DKQWAGNDOVJMJQ-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N1 ZINC000617761981 373587762 /nfs/dbraw/zinc/58/77/62/373587762.db2.gz DKQWAGNDOVJMJQ-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N1 ZINC000617761980 373588442 /nfs/dbraw/zinc/58/84/42/373588442.db2.gz DKQWAGNDOVJMJQ-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N1 ZINC000617761980 373588447 /nfs/dbraw/zinc/58/84/47/373588447.db2.gz DKQWAGNDOVJMJQ-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP CNS(=O)(=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765972 373588464 /nfs/dbraw/zinc/58/84/64/373588464.db2.gz XZWPLKUOFLKGGL-UHFFFAOYSA-N 2 2 294.421 -1.465 20 0 CAADLP CNS(=O)(=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765972 373588467 /nfs/dbraw/zinc/58/84/67/373588467.db2.gz XZWPLKUOFLKGGL-UHFFFAOYSA-N 2 2 294.421 -1.465 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582230796 373592525 /nfs/dbraw/zinc/59/25/25/373592525.db2.gz DCQYZRFIGPNINQ-OLZOCXBDSA-N 2 2 299.419 -1.009 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582230796 373592531 /nfs/dbraw/zinc/59/25/31/373592531.db2.gz DCQYZRFIGPNINQ-OLZOCXBDSA-N 2 2 299.419 -1.009 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348176947 373545259 /nfs/dbraw/zinc/54/52/59/373545259.db2.gz DWFPMQHDYIDDKJ-FZMZJTMJSA-N 2 2 298.387 -1.539 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348176947 373545266 /nfs/dbraw/zinc/54/52/66/373545266.db2.gz DWFPMQHDYIDDKJ-FZMZJTMJSA-N 2 2 298.387 -1.539 20 0 CAADLP CNC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000583573381 373558764 /nfs/dbraw/zinc/55/87/64/373558764.db2.gz SCLCAUVWLUNLER-NWDGAFQWSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000583573381 373558772 /nfs/dbraw/zinc/55/87/72/373558772.db2.gz SCLCAUVWLUNLER-NWDGAFQWSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000583573381 373558774 /nfs/dbraw/zinc/55/87/74/373558774.db2.gz SCLCAUVWLUNLER-NWDGAFQWSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000583573381 373558781 /nfs/dbraw/zinc/55/87/81/373558781.db2.gz SCLCAUVWLUNLER-NWDGAFQWSA-N 2 2 273.377 -1.007 20 0 CAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536548531 373560552 /nfs/dbraw/zinc/56/05/52/373560552.db2.gz JLCRIIZYVTZYIT-ZIAGYGMSSA-N 2 2 293.415 -1.508 20 0 CAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536548531 373560560 /nfs/dbraw/zinc/56/05/60/373560560.db2.gz JLCRIIZYVTZYIT-ZIAGYGMSSA-N 2 2 293.415 -1.508 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538438 373573881 /nfs/dbraw/zinc/57/38/81/373573881.db2.gz RDRVTSQCQVBGLW-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538438 373573887 /nfs/dbraw/zinc/57/38/87/373573887.db2.gz RDRVTSQCQVBGLW-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000351542307 373574077 /nfs/dbraw/zinc/57/40/77/373574077.db2.gz QYJHSJVWLDDCFX-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538437 373574816 /nfs/dbraw/zinc/57/48/16/373574816.db2.gz RDRVTSQCQVBGLW-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538437 373574824 /nfs/dbraw/zinc/57/48/24/373574824.db2.gz RDRVTSQCQVBGLW-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000639871248 373626110 /nfs/dbraw/zinc/62/61/10/373626110.db2.gz JERCADYOCLFQKS-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](CO)C1 ZINC000639871248 373626119 /nfs/dbraw/zinc/62/61/19/373626119.db2.gz JERCADYOCLFQKS-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[NH+]1CCN(C(=O)CCN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639871248 373626129 /nfs/dbraw/zinc/62/61/29/373626129.db2.gz JERCADYOCLFQKS-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP CCS(=O)(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000390276067 373629074 /nfs/dbraw/zinc/62/90/74/373629074.db2.gz SIQFHKFNMJCFBE-NSHDSACASA-N 2 2 279.406 -1.030 20 0 CAADLP CCS(=O)(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000390276067 373629080 /nfs/dbraw/zinc/62/90/80/373629080.db2.gz SIQFHKFNMJCFBE-NSHDSACASA-N 2 2 279.406 -1.030 20 0 CAADLP CCS(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000390276066 373629223 /nfs/dbraw/zinc/62/92/23/373629223.db2.gz SIQFHKFNMJCFBE-LLVKDONJSA-N 2 2 279.406 -1.030 20 0 CAADLP CCS(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390276066 373629231 /nfs/dbraw/zinc/62/92/31/373629231.db2.gz SIQFHKFNMJCFBE-LLVKDONJSA-N 2 2 279.406 -1.030 20 0 CAADLP Nc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(N)[nH+]1 ZINC000623937022 373635097 /nfs/dbraw/zinc/63/50/97/373635097.db2.gz RLTLDATWOCSVIM-IUCAKERBSA-N 2 2 279.348 -1.268 20 0 CAADLP Cn1cc[nH+]c1N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623982638 373638012 /nfs/dbraw/zinc/63/80/12/373638012.db2.gz CBBAZMWVQHSDQE-UHFFFAOYSA-N 2 2 275.320 -1.243 20 0 CAADLP Cn1cc[nH+]c1N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623982638 373638024 /nfs/dbraw/zinc/63/80/24/373638024.db2.gz CBBAZMWVQHSDQE-UHFFFAOYSA-N 2 2 275.320 -1.243 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000583813510 373641110 /nfs/dbraw/zinc/64/11/10/373641110.db2.gz WLPQSBVHLLAICO-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CN1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000584468872 373643287 /nfs/dbraw/zinc/64/32/87/373643287.db2.gz WUQJYKJMAXBKPQ-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP CN1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000584468872 373643295 /nfs/dbraw/zinc/64/32/95/373643295.db2.gz WUQJYKJMAXBKPQ-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP COC[C@](C)(CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000639955194 373643393 /nfs/dbraw/zinc/64/33/93/373643393.db2.gz KTCYPQZBOZJWKQ-LBPRGKRZSA-N 2 2 259.350 -1.253 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000040631767 373658419 /nfs/dbraw/zinc/65/84/19/373658419.db2.gz ZOYJRZKLLZCMEO-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+](CCN1C(=O)CNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640057867 373651109 /nfs/dbraw/zinc/65/11/09/373651109.db2.gz GPPSIKJMONVLJJ-UHFFFAOYSA-N 2 2 297.359 -1.756 20 0 CAADLP C[N@@H+](CCN1C(=O)CNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640057867 373651119 /nfs/dbraw/zinc/65/11/19/373651119.db2.gz GPPSIKJMONVLJJ-UHFFFAOYSA-N 2 2 297.359 -1.756 20 0 CAADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563958343 373597954 /nfs/dbraw/zinc/59/79/54/373597954.db2.gz QWJFIIRDAWEAOE-WDEREUQCSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C1NCC[C@H]1[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563958343 373597960 /nfs/dbraw/zinc/59/79/60/373597960.db2.gz QWJFIIRDAWEAOE-WDEREUQCSA-N 2 2 266.345 -1.229 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154648 373598371 /nfs/dbraw/zinc/59/83/71/373598371.db2.gz AWNZPESPLOXGGI-GWCFXTLKSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154648 373598374 /nfs/dbraw/zinc/59/83/74/373598374.db2.gz AWNZPESPLOXGGI-GWCFXTLKSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154648 373598379 /nfs/dbraw/zinc/59/83/79/373598379.db2.gz AWNZPESPLOXGGI-GWCFXTLKSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154648 373598383 /nfs/dbraw/zinc/59/83/83/373598383.db2.gz AWNZPESPLOXGGI-GWCFXTLKSA-N 2 2 284.360 -1.027 20 0 CAADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563958342 373599339 /nfs/dbraw/zinc/59/93/39/373599339.db2.gz QWJFIIRDAWEAOE-QWRGUYRKSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563958342 373599348 /nfs/dbraw/zinc/59/93/48/373599348.db2.gz QWJFIIRDAWEAOE-QWRGUYRKSA-N 2 2 266.345 -1.229 20 0 CAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353083044 373600766 /nfs/dbraw/zinc/60/07/66/373600766.db2.gz CYYCIEXIHMCUSV-QWRGUYRKSA-N 2 2 286.376 -1.338 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639852633 373614227 /nfs/dbraw/zinc/61/42/27/373614227.db2.gz VCWPFOVDOWZCLI-WCQYABFASA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639852633 373614234 /nfs/dbraw/zinc/61/42/34/373614234.db2.gz VCWPFOVDOWZCLI-WCQYABFASA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCn2cncn2)[C@H](C[NH3+])C1 ZINC000122634296 373717035 /nfs/dbraw/zinc/71/70/35/373717035.db2.gz GOLRKGOZBQQSRE-SNVBAGLBSA-N 2 2 252.322 -1.231 20 0 CAADLP C[N@H+]1CCN(C(=O)CCn2cncn2)[C@H](C[NH3+])C1 ZINC000122634296 373717042 /nfs/dbraw/zinc/71/70/42/373717042.db2.gz GOLRKGOZBQQSRE-SNVBAGLBSA-N 2 2 252.322 -1.231 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H](C[NH3+])C1 ZINC000226293378 373661044 /nfs/dbraw/zinc/66/10/44/373661044.db2.gz JSYRDMCFIZYNLL-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000623942764 373675745 /nfs/dbraw/zinc/67/57/45/373675745.db2.gz SIBTVCUYCVXQRU-SFYZADRCSA-N 2 2 267.337 -1.360 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+](CC[NH3+])CCO)CC1 ZINC000571762962 373676910 /nfs/dbraw/zinc/67/69/10/373676910.db2.gz ZAWDMJZYZYCZDL-UHFFFAOYSA-N 3 2 258.366 -1.597 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+](CC[NH3+])CCO)CC1 ZINC000571762962 373676919 /nfs/dbraw/zinc/67/69/19/373676919.db2.gz ZAWDMJZYZYCZDL-UHFFFAOYSA-N 3 2 258.366 -1.597 20 0 CAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)CO)C[C@@H](C)O1 ZINC000571869824 373677615 /nfs/dbraw/zinc/67/76/15/373677615.db2.gz UBOGGBLCCQXXLL-KKOKHZNYSA-N 2 2 262.350 -1.601 20 0 CAADLP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000572880699 373677793 /nfs/dbraw/zinc/67/77/93/373677793.db2.gz KCFZUUFBRWASNG-CYDGBPFRSA-N 2 2 275.393 -1.374 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)CO)C[C@H](C)O1 ZINC000571869827 373677989 /nfs/dbraw/zinc/67/79/89/373677989.db2.gz UBOGGBLCCQXXLL-WRWGMCAJSA-N 2 2 262.350 -1.601 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)CO)C[C@H](C)O1 ZINC000571869827 373677993 /nfs/dbraw/zinc/67/79/93/373677993.db2.gz UBOGGBLCCQXXLL-WRWGMCAJSA-N 2 2 262.350 -1.601 20 0 CAADLP Cn1nnc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000571802507 373678051 /nfs/dbraw/zinc/67/80/51/373678051.db2.gz UHHCLCQBODZDQG-NSHDSACASA-N 2 2 293.375 -1.146 20 0 CAADLP Cn1nnc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000571802507 373678056 /nfs/dbraw/zinc/67/80/56/373678056.db2.gz UHHCLCQBODZDQG-NSHDSACASA-N 2 2 293.375 -1.146 20 0 CAADLP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000572880702 373678279 /nfs/dbraw/zinc/67/82/79/373678279.db2.gz KCFZUUFBRWASNG-RNJOBUHISA-N 2 2 275.393 -1.374 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000572241294 373680179 /nfs/dbraw/zinc/68/01/79/373680179.db2.gz RERIMSSZMLQNAT-UHFFFAOYSA-N 2 2 299.419 -1.536 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCN1CC[NH2+]CC1 ZINC000572241294 373680184 /nfs/dbraw/zinc/68/01/84/373680184.db2.gz RERIMSSZMLQNAT-UHFFFAOYSA-N 2 2 299.419 -1.536 20 0 CAADLP C[C@]1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261894733 373683276 /nfs/dbraw/zinc/68/32/76/373683276.db2.gz UQOAYALMWUIJOB-MFKMUULPSA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@]1(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261894733 373683285 /nfs/dbraw/zinc/68/32/85/373683285.db2.gz UQOAYALMWUIJOB-MFKMUULPSA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1[NH3+] ZINC000262043324 373684056 /nfs/dbraw/zinc/68/40/56/373684056.db2.gz PLSYBGPLVDMMLW-WCBMZHEXSA-N 2 2 252.318 -1.137 20 0 CAADLP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1[NH3+] ZINC000262043324 373684064 /nfs/dbraw/zinc/68/40/64/373684064.db2.gz PLSYBGPLVDMMLW-WCBMZHEXSA-N 2 2 252.318 -1.137 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)[N@H+]1C ZINC000423621932 373693372 /nfs/dbraw/zinc/69/33/72/373693372.db2.gz LMDJXPAGQZZXBB-PHIMTYICSA-N 2 2 268.361 -1.031 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)[N@@H+]1C ZINC000423621932 373693378 /nfs/dbraw/zinc/69/33/78/373693378.db2.gz LMDJXPAGQZZXBB-PHIMTYICSA-N 2 2 268.361 -1.031 20 0 CAADLP COCCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000514789997 373721757 /nfs/dbraw/zinc/72/17/57/373721757.db2.gz XJPOMEFSQKFULU-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP COCCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000514789997 373721765 /nfs/dbraw/zinc/72/17/65/373721765.db2.gz XJPOMEFSQKFULU-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626934179 373728478 /nfs/dbraw/zinc/72/84/78/373728478.db2.gz CKEFFUFCSHGNNE-NWDGAFQWSA-N 2 2 286.376 -1.005 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000628918562 373749873 /nfs/dbraw/zinc/74/98/73/373749873.db2.gz NJVNEUBFAXSHEL-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000628918562 373749881 /nfs/dbraw/zinc/74/98/81/373749881.db2.gz NJVNEUBFAXSHEL-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628918562 373749884 /nfs/dbraw/zinc/74/98/84/373749884.db2.gz NJVNEUBFAXSHEL-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628918562 373749891 /nfs/dbraw/zinc/74/98/91/373749891.db2.gz NJVNEUBFAXSHEL-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000628917002 373750111 /nfs/dbraw/zinc/75/01/11/373750111.db2.gz IPGOMKTYWNQWAC-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000628917002 373750124 /nfs/dbraw/zinc/75/01/24/373750124.db2.gz IPGOMKTYWNQWAC-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628917002 373750130 /nfs/dbraw/zinc/75/01/30/373750130.db2.gz IPGOMKTYWNQWAC-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628917002 373750134 /nfs/dbraw/zinc/75/01/34/373750134.db2.gz IPGOMKTYWNQWAC-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000628917004 373750882 /nfs/dbraw/zinc/75/08/82/373750882.db2.gz IPGOMKTYWNQWAC-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000628917004 373750890 /nfs/dbraw/zinc/75/08/90/373750890.db2.gz IPGOMKTYWNQWAC-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628917004 373750897 /nfs/dbraw/zinc/75/08/97/373750897.db2.gz IPGOMKTYWNQWAC-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628917004 373750904 /nfs/dbraw/zinc/75/09/04/373750904.db2.gz IPGOMKTYWNQWAC-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000628918575 373750948 /nfs/dbraw/zinc/75/09/48/373750948.db2.gz NJVNEUBFAXSHEL-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000628918575 373750957 /nfs/dbraw/zinc/75/09/57/373750957.db2.gz NJVNEUBFAXSHEL-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628918575 373750965 /nfs/dbraw/zinc/75/09/65/373750965.db2.gz NJVNEUBFAXSHEL-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628918575 373750971 /nfs/dbraw/zinc/75/09/71/373750971.db2.gz NJVNEUBFAXSHEL-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[C@@H]1CC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000572486811 373765044 /nfs/dbraw/zinc/76/50/44/373765044.db2.gz KXQCTJQWOYQIJT-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000629552557 373776486 /nfs/dbraw/zinc/77/64/86/373776486.db2.gz MGXGRHSNQOIQKV-LBPRGKRZSA-N 2 2 266.349 -1.036 20 0 CAADLP COCC[NH2+]CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627082434 373839439 /nfs/dbraw/zinc/83/94/39/373839439.db2.gz ILYRNHXWZONRFV-NSHDSACASA-N 2 2 274.365 -1.148 20 0 CAADLP COCC[NH2+]CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627082434 373839445 /nfs/dbraw/zinc/83/94/45/373839445.db2.gz ILYRNHXWZONRFV-NSHDSACASA-N 2 2 274.365 -1.148 20 0 CAADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000626974682 373828617 /nfs/dbraw/zinc/82/86/17/373828617.db2.gz KEEVRFYGDARDCS-LBPRGKRZSA-N 2 2 287.408 -1.103 20 0 CAADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000626974682 373828624 /nfs/dbraw/zinc/82/86/24/373828624.db2.gz KEEVRFYGDARDCS-LBPRGKRZSA-N 2 2 287.408 -1.103 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626969961 373828804 /nfs/dbraw/zinc/82/88/04/373828804.db2.gz IRPDZHQLAMSTSP-NWDGAFQWSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626969961 373828810 /nfs/dbraw/zinc/82/88/10/373828810.db2.gz IRPDZHQLAMSTSP-NWDGAFQWSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626972927 373828958 /nfs/dbraw/zinc/82/89/58/373828958.db2.gz RDACCWVTNJHDSP-QWHCGFSZSA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003681 373830852 /nfs/dbraw/zinc/83/08/52/373830852.db2.gz TYMZPZNVUJGFML-SRVKXCTJSA-N 2 2 286.376 -1.007 20 0 CAADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003681 373830857 /nfs/dbraw/zinc/83/08/57/373830857.db2.gz TYMZPZNVUJGFML-SRVKXCTJSA-N 2 2 286.376 -1.007 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627063624 373836751 /nfs/dbraw/zinc/83/67/51/373836751.db2.gz LIFHORJJFRUFQL-NSHDSACASA-N 2 2 299.375 -1.952 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627063624 373836762 /nfs/dbraw/zinc/83/67/62/373836762.db2.gz LIFHORJJFRUFQL-NSHDSACASA-N 2 2 299.375 -1.952 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000629606334 373778634 /nfs/dbraw/zinc/77/86/34/373778634.db2.gz FWEVROGLLOMKDY-NEPJUHHUSA-N 2 2 287.360 -1.874 20 0 CAADLP OC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629596581 373778824 /nfs/dbraw/zinc/77/88/24/373778824.db2.gz SBJAABUICVPPGQ-ZIAGYGMSSA-N 2 2 287.404 -1.274 20 0 CAADLP C[C@@H](C[NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606145 373778842 /nfs/dbraw/zinc/77/88/42/373778842.db2.gz DDGJAZFEOPRFBX-WDEREUQCSA-N 2 2 259.350 -1.267 20 0 CAADLP CNS(=O)(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629577619 373779447 /nfs/dbraw/zinc/77/94/47/373779447.db2.gz RIPLPBCUMLMQCP-SNVBAGLBSA-N 2 2 265.379 -1.418 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000629607407 373780963 /nfs/dbraw/zinc/78/09/63/373780963.db2.gz STJCXXSZAFWSIV-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP CC[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607933 373781608 /nfs/dbraw/zinc/78/16/08/373781608.db2.gz SUKOEPBWOAZQJX-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP COC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629607259 373781657 /nfs/dbraw/zinc/78/16/57/373781657.db2.gz QDBJBUWGSICHBP-MNOVXSKESA-N 2 2 259.350 -1.077 20 0 CAADLP COC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629607259 373781665 /nfs/dbraw/zinc/78/16/65/373781665.db2.gz QDBJBUWGSICHBP-MNOVXSKESA-N 2 2 259.350 -1.077 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606437 373782351 /nfs/dbraw/zinc/78/23/51/373782351.db2.gz DLCJOIDPXDOQDM-RYUDHWBXSA-N 2 2 273.377 -1.007 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629784738 373783349 /nfs/dbraw/zinc/78/33/49/373783349.db2.gz SAJPTJSGHDBBSD-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627063622 373837703 /nfs/dbraw/zinc/83/77/03/373837703.db2.gz LIFHORJJFRUFQL-LLVKDONJSA-N 2 2 299.375 -1.952 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627063622 373837706 /nfs/dbraw/zinc/83/77/06/373837706.db2.gz LIFHORJJFRUFQL-LLVKDONJSA-N 2 2 299.375 -1.952 20 0 CAADLP O=C(N[C@@H]1CC[NH2+]C1)N(CCO)CC[NH+]1CCOCC1 ZINC000627249916 373885642 /nfs/dbraw/zinc/88/56/42/373885642.db2.gz MMAJWOREHGQGHW-GFCCVEGCSA-N 2 2 286.376 -1.316 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627249569 373886049 /nfs/dbraw/zinc/88/60/49/373886049.db2.gz RKMZOYWYCDLLOM-SNVBAGLBSA-N 2 2 283.376 -1.061 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614855068 373898008 /nfs/dbraw/zinc/89/80/08/373898008.db2.gz UYVMJNKWKVGLNF-LLVKDONJSA-N 2 2 288.392 -1.519 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614855068 373898016 /nfs/dbraw/zinc/89/80/16/373898016.db2.gz UYVMJNKWKVGLNF-LLVKDONJSA-N 2 2 288.392 -1.519 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614855071 373899011 /nfs/dbraw/zinc/89/90/11/373899011.db2.gz UYVMJNKWKVGLNF-NSHDSACASA-N 2 2 288.392 -1.519 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000614855071 373899020 /nfs/dbraw/zinc/89/90/20/373899020.db2.gz UYVMJNKWKVGLNF-NSHDSACASA-N 2 2 288.392 -1.519 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103288 373840811 /nfs/dbraw/zinc/84/08/11/373840811.db2.gz OMLPTNYDSHWWCN-NWDGAFQWSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103288 373840812 /nfs/dbraw/zinc/84/08/12/373840812.db2.gz OMLPTNYDSHWWCN-NWDGAFQWSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C[NH3+])C1 ZINC000627148401 373842910 /nfs/dbraw/zinc/84/29/10/373842910.db2.gz WLDDOZCPONUJDB-NSHDSACASA-N 3 2 285.392 -1.221 20 0 CAADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C[NH3+])C1 ZINC000627148401 373842912 /nfs/dbraw/zinc/84/29/12/373842912.db2.gz WLDDOZCPONUJDB-NSHDSACASA-N 3 2 285.392 -1.221 20 0 CAADLP CN1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000627184447 373845067 /nfs/dbraw/zinc/84/50/67/373845067.db2.gz YFWURXHYRCHKAX-NWDGAFQWSA-N 2 2 285.392 -1.399 20 0 CAADLP CN1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000627184447 373845069 /nfs/dbraw/zinc/84/50/69/373845069.db2.gz YFWURXHYRCHKAX-NWDGAFQWSA-N 2 2 285.392 -1.399 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186847 373845099 /nfs/dbraw/zinc/84/50/99/373845099.db2.gz ZSNXUBUWJKLYPJ-GFCCVEGCSA-N 2 2 286.376 -1.052 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627182883 373845118 /nfs/dbraw/zinc/84/51/18/373845118.db2.gz DVPZIMMFALHZRT-GHMZBOCLSA-N 2 2 272.349 -1.314 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627182883 373845120 /nfs/dbraw/zinc/84/51/20/373845120.db2.gz DVPZIMMFALHZRT-GHMZBOCLSA-N 2 2 272.349 -1.314 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627182928 373845189 /nfs/dbraw/zinc/84/51/89/373845189.db2.gz FVRSDTXVXYDQJS-LLVKDONJSA-N 2 2 284.360 -1.299 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627182928 373845191 /nfs/dbraw/zinc/84/51/91/373845191.db2.gz FVRSDTXVXYDQJS-LLVKDONJSA-N 2 2 284.360 -1.299 20 0 CAADLP CN(CCOCC[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183186 373845211 /nfs/dbraw/zinc/84/52/11/373845211.db2.gz OWFFOSMWBNKONZ-LLVKDONJSA-N 2 2 274.365 -1.066 20 0 CAADLP CN(CCOCC[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183186 373845213 /nfs/dbraw/zinc/84/52/13/373845213.db2.gz OWFFOSMWBNKONZ-LLVKDONJSA-N 2 2 274.365 -1.066 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000627184514 373845274 /nfs/dbraw/zinc/84/52/74/373845274.db2.gz JEPYUZCSEBPOAS-NSHDSACASA-N 2 2 272.349 -1.394 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186848 373845298 /nfs/dbraw/zinc/84/52/98/373845298.db2.gz ZSNXUBUWJKLYPJ-LBPRGKRZSA-N 2 2 286.376 -1.052 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627182872 373845423 /nfs/dbraw/zinc/84/54/23/373845423.db2.gz LNKDZJDHMKGWSU-GHMZBOCLSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627182872 373845426 /nfs/dbraw/zinc/84/54/26/373845426.db2.gz LNKDZJDHMKGWSU-GHMZBOCLSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627182884 373845478 /nfs/dbraw/zinc/84/54/78/373845478.db2.gz DVPZIMMFALHZRT-MNOVXSKESA-N 2 2 272.349 -1.314 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627182884 373845483 /nfs/dbraw/zinc/84/54/83/373845483.db2.gz DVPZIMMFALHZRT-MNOVXSKESA-N 2 2 272.349 -1.314 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627182885 373845607 /nfs/dbraw/zinc/84/56/07/373845607.db2.gz DVPZIMMFALHZRT-QWRGUYRKSA-N 2 2 272.349 -1.314 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627182885 373845613 /nfs/dbraw/zinc/84/56/13/373845613.db2.gz DVPZIMMFALHZRT-QWRGUYRKSA-N 2 2 272.349 -1.314 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000627184513 373845796 /nfs/dbraw/zinc/84/57/96/373845796.db2.gz JEPYUZCSEBPOAS-LLVKDONJSA-N 2 2 272.349 -1.394 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCCOCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000627219437 373853239 /nfs/dbraw/zinc/85/32/39/373853239.db2.gz WQHPYZGYKXHKPB-NSHDSACASA-N 3 2 273.381 -1.364 20 0 CAADLP C[N@H+]1CCN(C(=O)NCCOCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000627219437 373853245 /nfs/dbraw/zinc/85/32/45/373853245.db2.gz WQHPYZGYKXHKPB-NSHDSACASA-N 3 2 273.381 -1.364 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccn2)[C@H](C[NH3+])C1 ZINC000566200735 373943837 /nfs/dbraw/zinc/94/38/37/373943837.db2.gz ZLSCHALQFGGHGB-LLVKDONJSA-N 2 2 291.355 -1.087 20 0 CAADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)[C@H](C[NH3+])C1 ZINC000566200735 373943846 /nfs/dbraw/zinc/94/38/46/373943846.db2.gz ZLSCHALQFGGHGB-LLVKDONJSA-N 2 2 291.355 -1.087 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000566168078 373944593 /nfs/dbraw/zinc/94/45/93/373944593.db2.gz YWMUUBOQWBIXDY-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000566243911 373945317 /nfs/dbraw/zinc/94/53/17/373945317.db2.gz SZPBKUZKVIDKAV-JTQLQIEISA-N 2 2 273.333 -1.333 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000566243911 373945321 /nfs/dbraw/zinc/94/53/21/373945321.db2.gz SZPBKUZKVIDKAV-JTQLQIEISA-N 2 2 273.333 -1.333 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000566286758 373945772 /nfs/dbraw/zinc/94/57/72/373945772.db2.gz UAIZDRXHWSRFNA-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000566286758 373945789 /nfs/dbraw/zinc/94/57/89/373945789.db2.gz UAIZDRXHWSRFNA-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000566286756 373946579 /nfs/dbraw/zinc/94/65/79/373946579.db2.gz UAIZDRXHWSRFNA-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000566286756 373946585 /nfs/dbraw/zinc/94/65/85/373946585.db2.gz UAIZDRXHWSRFNA-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP CN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000566614116 373949998 /nfs/dbraw/zinc/94/99/98/373949998.db2.gz MVEZYVRNGMXHSE-NSHDSACASA-N 2 2 283.376 -2.138 20 0 CAADLP COC(=O)[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000566678429 373950458 /nfs/dbraw/zinc/95/04/58/373950458.db2.gz CGBAQHVVYGWCOF-LLVKDONJSA-N 2 2 285.344 -1.318 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000566678429 373950468 /nfs/dbraw/zinc/95/04/68/373950468.db2.gz CGBAQHVVYGWCOF-LLVKDONJSA-N 2 2 285.344 -1.318 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000566678437 373951026 /nfs/dbraw/zinc/95/10/26/373951026.db2.gz CGBAQHVVYGWCOF-NSHDSACASA-N 2 2 285.344 -1.318 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000566678437 373951034 /nfs/dbraw/zinc/95/10/34/373951034.db2.gz CGBAQHVVYGWCOF-NSHDSACASA-N 2 2 285.344 -1.318 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000566854461 373951349 /nfs/dbraw/zinc/95/13/49/373951349.db2.gz PXQRKUYBVHYKSD-GHMZBOCLSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000566854461 373951353 /nfs/dbraw/zinc/95/13/53/373951353.db2.gz PXQRKUYBVHYKSD-GHMZBOCLSA-N 3 2 256.350 -1.534 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@H](C[NH3+])C1CC1 ZINC000566620023 373951491 /nfs/dbraw/zinc/95/14/91/373951491.db2.gz XOZIRJOXYWMGJD-SNVBAGLBSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@H]2C1 ZINC000567046771 373953182 /nfs/dbraw/zinc/95/31/82/373953182.db2.gz UWTKQANNUZBLBZ-NEPJUHHUSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@H]2C1 ZINC000567046771 373953185 /nfs/dbraw/zinc/95/31/85/373953185.db2.gz UWTKQANNUZBLBZ-NEPJUHHUSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@H]2C1 ZINC000567046773 373954045 /nfs/dbraw/zinc/95/40/45/373954045.db2.gz UWTKQANNUZBLBZ-RYUDHWBXSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@H]2C1 ZINC000567046773 373954050 /nfs/dbraw/zinc/95/40/50/373954050.db2.gz UWTKQANNUZBLBZ-RYUDHWBXSA-N 2 2 280.372 -1.029 20 0 CAADLP CCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567292378 373955909 /nfs/dbraw/zinc/95/59/09/373955909.db2.gz ONLLYEPRUBBBEF-ZJUUUORDSA-N 2 2 254.334 -1.244 20 0 CAADLP CCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567292376 373956050 /nfs/dbraw/zinc/95/60/50/373956050.db2.gz ONLLYEPRUBBBEF-UWVGGRQHSA-N 2 2 254.334 -1.244 20 0 CAADLP CCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567292377 373956623 /nfs/dbraw/zinc/95/66/23/373956623.db2.gz ONLLYEPRUBBBEF-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089188 373965088 /nfs/dbraw/zinc/96/50/88/373965088.db2.gz KNDSYYOIEREONB-CQSZACIVSA-N 3 2 295.431 -1.212 20 0 CAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089188 373965091 /nfs/dbraw/zinc/96/50/91/373965091.db2.gz KNDSYYOIEREONB-CQSZACIVSA-N 3 2 295.431 -1.212 20 0 CAADLP CO[C@@H]1COC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567731263 373958428 /nfs/dbraw/zinc/95/84/28/373958428.db2.gz KPMQGMZTTJYIJY-HBNTYKKESA-N 2 2 272.349 -1.316 20 0 CAADLP CO[C@@H]1COC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567731263 373958435 /nfs/dbraw/zinc/95/84/35/373958435.db2.gz KPMQGMZTTJYIJY-HBNTYKKESA-N 2 2 272.349 -1.316 20 0 CAADLP CCS(=O)(=O)NCCC[N@H+](CC[NH3+])CCO ZINC000567613552 373958966 /nfs/dbraw/zinc/95/89/66/373958966.db2.gz BAICSTLDBFBVIK-UHFFFAOYSA-N 2 2 253.368 -1.431 20 0 CAADLP CCS(=O)(=O)NCCC[N@@H+](CC[NH3+])CCO ZINC000567613552 373958977 /nfs/dbraw/zinc/95/89/77/373958977.db2.gz BAICSTLDBFBVIK-UHFFFAOYSA-N 2 2 253.368 -1.431 20 0 CAADLP OC[C@H](C[NH+]1CCCC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000567873468 373960843 /nfs/dbraw/zinc/96/08/43/373960843.db2.gz WPVWRIHHKJZGAY-UONOGXRCSA-N 2 2 287.404 -1.274 20 0 CAADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000567822262 373961321 /nfs/dbraw/zinc/96/13/21/373961321.db2.gz AXKNIEFLSTXMJP-LLVKDONJSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000567838069 373962106 /nfs/dbraw/zinc/96/21/06/373962106.db2.gz LCMGZXJVQVQWHN-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000630343720 373908297 /nfs/dbraw/zinc/90/82/97/373908297.db2.gz MERAAUINKTXZIC-NSHDSACASA-N 2 2 298.387 -1.539 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)[C@@](C)(C[NH3+])C1 ZINC000630375350 373910383 /nfs/dbraw/zinc/91/03/83/373910383.db2.gz NHHHFBMVEKDNMW-COPLHBTASA-N 2 2 298.387 -1.229 20 0 CAADLP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC[NH+]1CCOCC1 ZINC000630399420 373911249 /nfs/dbraw/zinc/91/12/49/373911249.db2.gz YOERIZRBVRVZHC-LBPRGKRZSA-N 2 2 286.376 -1.316 20 0 CAADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCC[NH+]1CCOCC1 ZINC000630399420 373911256 /nfs/dbraw/zinc/91/12/56/373911256.db2.gz YOERIZRBVRVZHC-LBPRGKRZSA-N 2 2 286.376 -1.316 20 0 CAADLP OC[C@@H](C[NH+]1CCCC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000567873467 373962499 /nfs/dbraw/zinc/96/24/99/373962499.db2.gz WPVWRIHHKJZGAY-KGLIPLIRSA-N 2 2 287.404 -1.274 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000567802159 373962579 /nfs/dbraw/zinc/96/25/79/373962579.db2.gz DLLKKUJAICABJX-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000567802159 373962581 /nfs/dbraw/zinc/96/25/81/373962581.db2.gz DLLKKUJAICABJX-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000545127232 373915606 /nfs/dbraw/zinc/91/56/06/373915606.db2.gz USNBYINHOIBHJA-ZDUSSCGKSA-N 2 2 286.376 -1.316 20 0 CAADLP C[N@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000545127232 373915610 /nfs/dbraw/zinc/91/56/10/373915610.db2.gz USNBYINHOIBHJA-ZDUSSCGKSA-N 2 2 286.376 -1.316 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000631680299 373919492 /nfs/dbraw/zinc/91/94/92/373919492.db2.gz XZZWXDVVGNKJAF-UHFFFAOYSA-N 2 2 279.406 -1.122 20 0 CAADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000554820224 373927152 /nfs/dbraw/zinc/92/71/52/373927152.db2.gz LGYMLYFUJDKZPD-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000554820224 373927156 /nfs/dbraw/zinc/92/71/56/373927156.db2.gz LGYMLYFUJDKZPD-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000565099144 373934060 /nfs/dbraw/zinc/93/40/60/373934060.db2.gz QYJJQZRKZRCJJP-GFCCVEGCSA-N 2 2 259.350 -1.253 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000565099144 373934067 /nfs/dbraw/zinc/93/40/67/373934067.db2.gz QYJJQZRKZRCJJP-GFCCVEGCSA-N 2 2 259.350 -1.253 20 0 CAADLP CN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000567892563 373963560 /nfs/dbraw/zinc/96/35/60/373963560.db2.gz OZNZTTDVGPCUCL-MRVPVSSYSA-N 2 2 297.315 -2.492 20 0 CAADLP CN1C(=O)C(=O)N(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000567892563 373963567 /nfs/dbraw/zinc/96/35/67/373963567.db2.gz OZNZTTDVGPCUCL-MRVPVSSYSA-N 2 2 297.315 -2.492 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000565361750 373935636 /nfs/dbraw/zinc/93/56/36/373935636.db2.gz BGUAAIHQCIESDY-NWDGAFQWSA-N 3 2 297.403 -1.654 20 0 CAADLP C[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000565361750 373935645 /nfs/dbraw/zinc/93/56/45/373935645.db2.gz BGUAAIHQCIESDY-NWDGAFQWSA-N 3 2 297.403 -1.654 20 0 CAADLP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000565154918 373935830 /nfs/dbraw/zinc/93/58/30/373935830.db2.gz CFIHXELPPRYWET-UWVGGRQHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@]1(C[NH3+])CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000565891016 373942208 /nfs/dbraw/zinc/94/22/08/373942208.db2.gz FWTPLWOOSBVPJL-LBPRGKRZSA-N 2 2 254.334 -1.385 20 0 CAADLP CN(C)c1nc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(=O)[nH]1 ZINC000578986263 373995602 /nfs/dbraw/zinc/99/56/02/373995602.db2.gz SEPRYMDFCHUZRQ-SECBINFHSA-N 2 2 294.359 -1.037 20 0 CAADLP CN1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579215911 373997611 /nfs/dbraw/zinc/99/76/11/373997611.db2.gz OKPVMLQHTVWRRD-ZJUUUORDSA-N 2 2 269.349 -1.499 20 0 CAADLP CN1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579215911 373997618 /nfs/dbraw/zinc/99/76/18/373997618.db2.gz OKPVMLQHTVWRRD-ZJUUUORDSA-N 2 2 269.349 -1.499 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000579142477 373997650 /nfs/dbraw/zinc/99/76/50/373997650.db2.gz PYZLMDKPZFUGBI-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000579354914 374000035 /nfs/dbraw/zinc/00/00/35/374000035.db2.gz ILHAIZVCXMZLEV-QWRGUYRKSA-N 2 2 283.376 -1.122 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000579354914 374000043 /nfs/dbraw/zinc/00/00/43/374000043.db2.gz ILHAIZVCXMZLEV-QWRGUYRKSA-N 2 2 283.376 -1.122 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579474826 374000215 /nfs/dbraw/zinc/00/02/15/374000215.db2.gz PSRYQLZWPWIEQU-PWSUYJOCSA-N 3 2 285.392 -1.813 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579474826 374000223 /nfs/dbraw/zinc/00/02/23/374000223.db2.gz PSRYQLZWPWIEQU-PWSUYJOCSA-N 3 2 285.392 -1.813 20 0 CAADLP [NH3+]CCOCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000579593321 374003045 /nfs/dbraw/zinc/00/30/45/374003045.db2.gz CEBDBAIGGAQWJV-SECBINFHSA-N 2 2 256.306 -2.396 20 0 CAADLP [NH3+]CCOCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000579593321 374003052 /nfs/dbraw/zinc/00/30/52/374003052.db2.gz CEBDBAIGGAQWJV-SECBINFHSA-N 2 2 256.306 -2.396 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579593626 374004249 /nfs/dbraw/zinc/00/42/49/374004249.db2.gz XGACWIJPRNBFMI-VHSXEESVSA-N 2 2 254.334 -1.434 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579593626 374004256 /nfs/dbraw/zinc/00/42/56/374004256.db2.gz XGACWIJPRNBFMI-VHSXEESVSA-N 2 2 254.334 -1.434 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000579831729 374005689 /nfs/dbraw/zinc/00/56/89/374005689.db2.gz JNUKINPERIWJHF-VIFPVBQESA-N 2 2 256.306 -2.396 20 0 CAADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000193567422 374007697 /nfs/dbraw/zinc/00/76/97/374007697.db2.gz PRTDVFDLDDLDQE-ZYHUDNBSSA-N 2 2 268.361 -1.125 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)CC1 ZINC000568163598 373967649 /nfs/dbraw/zinc/96/76/49/373967649.db2.gz FCOHKLCDGPRIIT-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)CC1 ZINC000568163598 373967652 /nfs/dbraw/zinc/96/76/52/373967652.db2.gz FCOHKLCDGPRIIT-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000568163598 373967658 /nfs/dbraw/zinc/96/76/58/373967658.db2.gz FCOHKLCDGPRIIT-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)CC1 ZINC000568163598 373967663 /nfs/dbraw/zinc/96/76/63/373967663.db2.gz FCOHKLCDGPRIIT-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000568521887 373968828 /nfs/dbraw/zinc/96/88/28/373968828.db2.gz MXNQDDYSIBYISY-VHSXEESVSA-N 2 2 265.379 -1.420 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000568521887 373968837 /nfs/dbraw/zinc/96/88/37/373968837.db2.gz MXNQDDYSIBYISY-VHSXEESVSA-N 2 2 265.379 -1.420 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000568521886 373969587 /nfs/dbraw/zinc/96/95/87/373969587.db2.gz MXNQDDYSIBYISY-UWVGGRQHSA-N 2 2 265.379 -1.420 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000568521886 373969593 /nfs/dbraw/zinc/96/95/93/373969593.db2.gz MXNQDDYSIBYISY-UWVGGRQHSA-N 2 2 265.379 -1.420 20 0 CAADLP COC[C@@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC000568746419 373971586 /nfs/dbraw/zinc/97/15/86/373971586.db2.gz MPASGHIEVHLNRM-ZDUSSCGKSA-N 2 2 284.360 -1.697 20 0 CAADLP COC[C@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC000568746418 373972395 /nfs/dbraw/zinc/97/23/95/373972395.db2.gz MPASGHIEVHLNRM-CYBMUJFWSA-N 2 2 284.360 -1.697 20 0 CAADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000568982085 373974348 /nfs/dbraw/zinc/97/43/48/373974348.db2.gz FMLUQXPLEKRNPU-MNOVXSKESA-N 2 2 287.360 -1.039 20 0 CAADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000568982085 373974358 /nfs/dbraw/zinc/97/43/58/373974358.db2.gz FMLUQXPLEKRNPU-MNOVXSKESA-N 2 2 287.360 -1.039 20 0 CAADLP CN1CC(=O)N(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000572842589 373978303 /nfs/dbraw/zinc/97/83/03/373978303.db2.gz LQYVNKHGAATORO-VIFPVBQESA-N 2 2 283.332 -2.018 20 0 CAADLP CN1CC(=O)N(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000572842589 373978308 /nfs/dbraw/zinc/97/83/08/373978308.db2.gz LQYVNKHGAATORO-VIFPVBQESA-N 2 2 283.332 -2.018 20 0 CAADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000573684982 373982289 /nfs/dbraw/zinc/98/22/89/373982289.db2.gz UBPAHSUGPBKTLA-LBPRGKRZSA-N 2 2 290.433 -1.143 20 0 CAADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000573684982 373982293 /nfs/dbraw/zinc/98/22/93/373982293.db2.gz UBPAHSUGPBKTLA-LBPRGKRZSA-N 2 2 290.433 -1.143 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000573935266 373984335 /nfs/dbraw/zinc/98/43/35/373984335.db2.gz UNNRMSFIWCPDPP-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405864178 373986562 /nfs/dbraw/zinc/98/65/62/373986562.db2.gz OWBCXZLIJWYFIM-IWSPIJDZSA-N 2 2 258.322 -1.135 20 0 CAADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405864178 373986572 /nfs/dbraw/zinc/98/65/72/373986572.db2.gz OWBCXZLIJWYFIM-IWSPIJDZSA-N 2 2 258.322 -1.135 20 0 CAADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000578132762 373990646 /nfs/dbraw/zinc/99/06/46/373990646.db2.gz WCFOFHHGZTXRBW-LLVKDONJSA-N 3 2 256.350 -1.532 20 0 CAADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000578132762 373990652 /nfs/dbraw/zinc/99/06/52/373990652.db2.gz WCFOFHHGZTXRBW-LLVKDONJSA-N 3 2 256.350 -1.532 20 0 CAADLP COC(=O)CCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578070794 373990815 /nfs/dbraw/zinc/99/08/15/373990815.db2.gz JUKJLBLZAQIQNX-AOOOYVTPSA-N 2 2 255.318 -1.183 20 0 CAADLP COC(=O)CCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578070794 373990821 /nfs/dbraw/zinc/99/08/21/373990821.db2.gz JUKJLBLZAQIQNX-AOOOYVTPSA-N 2 2 255.318 -1.183 20 0 CAADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000578374711 373991617 /nfs/dbraw/zinc/99/16/17/373991617.db2.gz JQNYCTQSQBDWTJ-LBPRGKRZSA-N 2 2 291.355 -1.005 20 0 CAADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000578374711 373991621 /nfs/dbraw/zinc/99/16/21/373991621.db2.gz JQNYCTQSQBDWTJ-LBPRGKRZSA-N 2 2 291.355 -1.005 20 0 CAADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000578374710 373991959 /nfs/dbraw/zinc/99/19/59/373991959.db2.gz JQNYCTQSQBDWTJ-GFCCVEGCSA-N 2 2 291.355 -1.005 20 0 CAADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000578374710 373991969 /nfs/dbraw/zinc/99/19/69/373991969.db2.gz JQNYCTQSQBDWTJ-GFCCVEGCSA-N 2 2 291.355 -1.005 20 0 CAADLP CC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000621851996 374079561 /nfs/dbraw/zinc/07/95/61/374079561.db2.gz KIYZRPMBSKWUEU-VXGBXAGGSA-N 2 2 283.376 -1.109 20 0 CAADLP CC(=O)N1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000621851996 374079566 /nfs/dbraw/zinc/07/95/66/374079566.db2.gz KIYZRPMBSKWUEU-VXGBXAGGSA-N 2 2 283.376 -1.109 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000123753161 374043492 /nfs/dbraw/zinc/04/34/92/374043492.db2.gz WDJBMHKETDFTEK-DTWKUNHWSA-N 2 2 258.322 -1.120 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000123753161 374043493 /nfs/dbraw/zinc/04/34/93/374043493.db2.gz WDJBMHKETDFTEK-DTWKUNHWSA-N 2 2 258.322 -1.120 20 0 CAADLP CNC(=O)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903262 374052822 /nfs/dbraw/zinc/05/28/22/374052822.db2.gz KGCSSIVIFSDNJC-UHFFFAOYSA-N 2 2 266.305 -1.013 20 0 CAADLP CN(CCOCCNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000619325702 374054186 /nfs/dbraw/zinc/05/41/86/374054186.db2.gz XQMPNSFLCJKZLR-UHFFFAOYSA-N 2 2 288.392 -1.299 20 0 CAADLP Cn1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000107576951 374056070 /nfs/dbraw/zinc/05/60/70/374056070.db2.gz ZBUIKUPZWOZBAI-UWVGGRQHSA-N 2 2 264.329 -1.265 20 0 CAADLP Nc1nc(NCC[NH+]2CCC(O)CC2)nc(N)[nH+]1 ZINC000624260238 374109866 /nfs/dbraw/zinc/10/98/66/374109866.db2.gz HMMHSWCGVWXRNB-UHFFFAOYSA-N 2 2 253.310 -2.013 20 0 CAADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624286466 374110444 /nfs/dbraw/zinc/11/04/44/374110444.db2.gz YNGTVBZPJHUQAE-YUMQZZPRSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624286466 374110450 /nfs/dbraw/zinc/11/04/50/374110450.db2.gz YNGTVBZPJHUQAE-YUMQZZPRSA-N 2 2 267.337 -1.412 20 0 CAADLP COCC(COC)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624274801 374110963 /nfs/dbraw/zinc/11/09/63/374110963.db2.gz CGOIZSMDLXKQRD-UHFFFAOYSA-N 2 2 297.363 -1.520 20 0 CAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(N)nc(N)[nH+]1 ZINC000624331276 374111067 /nfs/dbraw/zinc/11/10/67/374111067.db2.gz UUIQNCBJESSWIB-ZETCQYMHSA-N 2 2 280.336 -1.747 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627358950 374115582 /nfs/dbraw/zinc/11/55/82/374115582.db2.gz WIYIRCFIKQKKTG-SDDRHHMPSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627358224 374115640 /nfs/dbraw/zinc/11/56/40/374115640.db2.gz DGWVWFBHRUZMAF-WDEREUQCSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627385339 374116188 /nfs/dbraw/zinc/11/61/88/374116188.db2.gz HYDTVNWJDROTGF-NSHDSACASA-N 2 2 297.359 -1.131 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627358223 374117192 /nfs/dbraw/zinc/11/71/92/374117192.db2.gz DGWVWFBHRUZMAF-GHMZBOCLSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000627385735 374118435 /nfs/dbraw/zinc/11/84/35/374118435.db2.gz UJIKCMOQFBBYOC-IJLUTSLNSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000627385736 374118473 /nfs/dbraw/zinc/11/84/73/374118473.db2.gz UJIKCMOQFBBYOC-QJPTWQEYSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000627385737 374119250 /nfs/dbraw/zinc/11/92/50/374119250.db2.gz UJIKCMOQFBBYOC-SDDRHHMPSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000627385734 374119371 /nfs/dbraw/zinc/11/93/71/374119371.db2.gz UJIKCMOQFBBYOC-GRYCIOLGSA-N 2 2 298.387 -1.310 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502349 374134704 /nfs/dbraw/zinc/13/47/04/374134704.db2.gz UCTPVKOEARZTOY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627463524 374126143 /nfs/dbraw/zinc/12/61/43/374126143.db2.gz ZTBSACOWGYIQDW-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000627502748 374134758 /nfs/dbraw/zinc/13/47/58/374134758.db2.gz LLXSPHQWMDNMKJ-SDDRHHMPSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000627502748 374134766 /nfs/dbraw/zinc/13/47/66/374134766.db2.gz LLXSPHQWMDNMKJ-SDDRHHMPSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000627502747 374134835 /nfs/dbraw/zinc/13/48/35/374134835.db2.gz LLXSPHQWMDNMKJ-GRYCIOLGSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000627502747 374134843 /nfs/dbraw/zinc/13/48/43/374134843.db2.gz LLXSPHQWMDNMKJ-GRYCIOLGSA-N 2 2 298.387 -1.310 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623841124 374091558 /nfs/dbraw/zinc/09/15/58/374091558.db2.gz OOBMMZVLSFEOOL-UHFFFAOYSA-N 2 2 280.336 -2.093 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623841124 374091570 /nfs/dbraw/zinc/09/15/70/374091570.db2.gz OOBMMZVLSFEOOL-UHFFFAOYSA-N 2 2 280.336 -2.093 20 0 CAADLP CC(C)(CNc1nc(N)[nH+]c(N)n1)[NH+]1CCOCC1 ZINC000623797831 374091943 /nfs/dbraw/zinc/09/19/43/374091943.db2.gz CZGAHDKTQNBQPG-UHFFFAOYSA-N 2 2 267.337 -1.359 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000123753342 374091991 /nfs/dbraw/zinc/09/19/91/374091991.db2.gz WDJBMHKETDFTEK-RKDXNWHRSA-N 2 2 258.322 -1.120 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000123753342 374091996 /nfs/dbraw/zinc/09/19/96/374091996.db2.gz WDJBMHKETDFTEK-RKDXNWHRSA-N 2 2 258.322 -1.120 20 0 CAADLP CC1(C)C[N@H+](CCNc2nc(N)[nH+]c(N)n2)CCO1 ZINC000623924527 374093856 /nfs/dbraw/zinc/09/38/56/374093856.db2.gz FOYNAWVCJSMRSK-UHFFFAOYSA-N 2 2 267.337 -1.359 20 0 CAADLP CC1(C)C[N@@H+](CCNc2nc(N)[nH+]c(N)n2)CCO1 ZINC000623924527 374093864 /nfs/dbraw/zinc/09/38/64/374093864.db2.gz FOYNAWVCJSMRSK-UHFFFAOYSA-N 2 2 267.337 -1.359 20 0 CAADLP Nc1ccc(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)c[nH+]1 ZINC000623902376 374094264 /nfs/dbraw/zinc/09/42/64/374094264.db2.gz GNBLLADDTPJOGG-UHFFFAOYSA-N 2 2 287.331 -1.169 20 0 CAADLP COCC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623893325 374094681 /nfs/dbraw/zinc/09/46/81/374094681.db2.gz MEFLLMIIVBDRAD-UHFFFAOYSA-N 2 2 267.337 -1.359 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623860827 374096220 /nfs/dbraw/zinc/09/62/20/374096220.db2.gz GNIWSHNOUMRUCA-SSDOTTSWSA-N 2 2 253.310 -1.749 20 0 CAADLP CC(C)(CO)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623974750 374098659 /nfs/dbraw/zinc/09/86/59/374098659.db2.gz OZGICGHZRUCRAT-UHFFFAOYSA-N 2 2 267.337 -1.410 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623963047 374098975 /nfs/dbraw/zinc/09/89/75/374098975.db2.gz WVDPFLXCJOUCTL-ZETCQYMHSA-N 2 2 252.326 -2.224 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623963047 374098984 /nfs/dbraw/zinc/09/89/84/374098984.db2.gz WVDPFLXCJOUCTL-ZETCQYMHSA-N 2 2 252.326 -2.224 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623963046 374099378 /nfs/dbraw/zinc/09/93/78/374099378.db2.gz WVDPFLXCJOUCTL-SSDOTTSWSA-N 2 2 252.326 -2.224 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623963046 374099382 /nfs/dbraw/zinc/09/93/82/374099382.db2.gz WVDPFLXCJOUCTL-SSDOTTSWSA-N 2 2 252.326 -2.224 20 0 CAADLP CC[C@H](CO)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624004944 374102087 /nfs/dbraw/zinc/10/20/87/374102087.db2.gz ZXPJHORVZQZMGB-MRVPVSSYSA-N 2 2 267.337 -1.410 20 0 CAADLP CC[C@@H](CO)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624004945 374102395 /nfs/dbraw/zinc/10/23/95/374102395.db2.gz ZXPJHORVZQZMGB-QMMMGPOBSA-N 2 2 267.337 -1.410 20 0 CAADLP Nc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000624100559 374106301 /nfs/dbraw/zinc/10/63/01/374106301.db2.gz XBRYRDHPXGAGEM-ZETCQYMHSA-N 2 2 251.294 -1.782 20 0 CAADLP Nc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000624100559 374106305 /nfs/dbraw/zinc/10/63/05/374106305.db2.gz XBRYRDHPXGAGEM-ZETCQYMHSA-N 2 2 251.294 -1.782 20 0 CAADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624211487 374107276 /nfs/dbraw/zinc/10/72/76/374107276.db2.gz QLBGDOOKVSYOPJ-RKDXNWHRSA-N 2 2 279.348 -1.004 20 0 CAADLP Nc1nc(N2CCC[C@@H]([NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000624248529 374108358 /nfs/dbraw/zinc/10/83/58/374108358.db2.gz QVZMTBJUBJYYGS-SECBINFHSA-N 2 2 279.348 -1.002 20 0 CAADLP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627488525 374133746 /nfs/dbraw/zinc/13/37/46/374133746.db2.gz ATKWJMOLCAWAGZ-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624211486 374109015 /nfs/dbraw/zinc/10/90/15/374109015.db2.gz QLBGDOOKVSYOPJ-IUCAKERBSA-N 2 2 279.348 -1.004 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505690 374136670 /nfs/dbraw/zinc/13/66/70/374136670.db2.gz ZIEUYWPVSWUFKM-LLVKDONJSA-N 2 2 298.387 -1.309 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505690 374136674 /nfs/dbraw/zinc/13/66/74/374136674.db2.gz ZIEUYWPVSWUFKM-LLVKDONJSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506882 374137228 /nfs/dbraw/zinc/13/72/28/374137228.db2.gz OMCZATBPRYUIJT-WDEREUQCSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506882 374137240 /nfs/dbraw/zinc/13/72/40/374137240.db2.gz OMCZATBPRYUIJT-WDEREUQCSA-N 2 2 284.360 -1.699 20 0 CAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000631900888 374151889 /nfs/dbraw/zinc/15/18/89/374151889.db2.gz LANKCBOJEKZCMS-UHFFFAOYSA-N 2 2 290.433 -1.141 20 0 CAADLP C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631939464 374155905 /nfs/dbraw/zinc/15/59/05/374155905.db2.gz AVCXKPOQPJXEAD-GHMZBOCLSA-N 2 2 295.380 -1.062 20 0 CAADLP C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631939467 374156436 /nfs/dbraw/zinc/15/64/36/374156436.db2.gz AVCXKPOQPJXEAD-WDEREUQCSA-N 2 2 295.380 -1.062 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000632129323 374160253 /nfs/dbraw/zinc/16/02/53/374160253.db2.gz HTWHVJHVVNUPDY-LBPRGKRZSA-N 2 2 290.433 -1.143 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632576415 374174406 /nfs/dbraw/zinc/17/44/06/374174406.db2.gz QHVVLZGWHRPBSL-LLVKDONJSA-N 2 2 279.406 -1.124 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632576415 374174409 /nfs/dbraw/zinc/17/44/09/374174409.db2.gz QHVVLZGWHRPBSL-LLVKDONJSA-N 2 2 279.406 -1.124 20 0 CAADLP C[NH+](C)CC(=O)NCC1(NC(=O)C[NH+](C)C)COC1 ZINC000633916622 374192195 /nfs/dbraw/zinc/19/21/95/374192195.db2.gz SKBNXMHSECXKKY-UHFFFAOYSA-N 2 2 272.349 -1.889 20 0 CAADLP CO[C@@H]1COC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000633897250 374192236 /nfs/dbraw/zinc/19/22/36/374192236.db2.gz KPMQGMZTTJYIJY-OUAUKWLOSA-N 2 2 272.349 -1.316 20 0 CAADLP CO[C@@H]1COC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000633897250 374192243 /nfs/dbraw/zinc/19/22/43/374192243.db2.gz KPMQGMZTTJYIJY-OUAUKWLOSA-N 2 2 272.349 -1.316 20 0 CAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000633101564 374184972 /nfs/dbraw/zinc/18/49/72/374184972.db2.gz CURHFCUFXBHPQG-JTQLQIEISA-N 2 2 294.359 -1.531 20 0 CAADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000633114540 374185789 /nfs/dbraw/zinc/18/57/89/374185789.db2.gz CBOGWPXXBXNQEX-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000633115242 374187065 /nfs/dbraw/zinc/18/70/65/374187065.db2.gz IGVVNDXYRNPWLO-UWVGGRQHSA-N 2 2 254.334 -1.292 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633116177 374187111 /nfs/dbraw/zinc/18/71/11/374187111.db2.gz PYYFQXKJGKBIBT-PHIMTYICSA-N 2 2 266.345 -1.277 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000574573550 335030693 /nfs/dbraw/zinc/03/06/93/335030693.db2.gz WLFZDETXLVAAKR-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000378385721 296269986 /nfs/dbraw/zinc/26/99/86/296269986.db2.gz YWDXTDLHKNSECX-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000378385721 296269988 /nfs/dbraw/zinc/26/99/88/296269988.db2.gz YWDXTDLHKNSECX-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000574735231 335043333 /nfs/dbraw/zinc/04/33/33/335043333.db2.gz UFTUVMLLKHGHTP-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C1C[NH2+]C1 ZINC000342529341 252125771 /nfs/dbraw/zinc/12/57/71/252125771.db2.gz PNRNTHMRTAGRPY-UHFFFAOYSA-N 2 2 285.344 -1.460 20 0 CAADLP C[N@H+](CCOCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000310658786 252090252 /nfs/dbraw/zinc/09/02/52/252090252.db2.gz SIZHSHGGLMWOON-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP C[N@@H+](CCOCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000310658786 252090255 /nfs/dbraw/zinc/09/02/55/252090255.db2.gz SIZHSHGGLMWOON-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000330477157 252097653 /nfs/dbraw/zinc/09/76/53/252097653.db2.gz LQYHJPPSQCHTKU-NEPJUHHUSA-N 2 2 287.360 -1.874 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000330477157 252097657 /nfs/dbraw/zinc/09/76/57/252097657.db2.gz LQYHJPPSQCHTKU-NEPJUHHUSA-N 2 2 287.360 -1.874 20 0 CAADLP Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000330880507 252109614 /nfs/dbraw/zinc/10/96/14/252109614.db2.gz MYWSFFDUSAWCRX-GFCCVEGCSA-N 2 2 281.360 -1.183 20 0 CAADLP C[C@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC000342582294 252125266 /nfs/dbraw/zinc/12/52/66/252125266.db2.gz HUGSLDHQGMFVEP-ZDUSSCGKSA-N 2 2 268.361 -1.076 20 0 CAADLP CN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000071184654 252077621 /nfs/dbraw/zinc/07/76/21/252077621.db2.gz DDPJSPXQBMTNAO-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP CN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000071184654 252077624 /nfs/dbraw/zinc/07/76/24/252077624.db2.gz DDPJSPXQBMTNAO-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@@]1(CNC(=O)CN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC000342582292 252125540 /nfs/dbraw/zinc/12/55/40/252125540.db2.gz HUGSLDHQGMFVEP-CYBMUJFWSA-N 2 2 268.361 -1.076 20 0 CAADLP NS(=O)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357029664 252145144 /nfs/dbraw/zinc/14/51/44/252145144.db2.gz OICXNAFZWYGFKF-UHFFFAOYSA-N 2 2 252.340 -2.217 20 0 CAADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000357094470 252145896 /nfs/dbraw/zinc/14/58/96/252145896.db2.gz ZVBLLZQLWUHKAR-GHMZBOCLSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000357094470 252145902 /nfs/dbraw/zinc/14/59/02/252145902.db2.gz ZVBLLZQLWUHKAR-GHMZBOCLSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000357094472 252146136 /nfs/dbraw/zinc/14/61/36/252146136.db2.gz ZVBLLZQLWUHKAR-QWRGUYRKSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000357094472 252146139 /nfs/dbraw/zinc/14/61/39/252146139.db2.gz ZVBLLZQLWUHKAR-QWRGUYRKSA-N 2 2 266.345 -1.514 20 0 CAADLP [NH3+]CCOCC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000357078942 252146381 /nfs/dbraw/zinc/14/63/81/252146381.db2.gz KOCMGGRXINPVIR-UHFFFAOYSA-N 2 2 284.360 -1.616 20 0 CAADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000357094473 252146432 /nfs/dbraw/zinc/14/64/32/252146432.db2.gz ZVBLLZQLWUHKAR-WDEREUQCSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000357094473 252146435 /nfs/dbraw/zinc/14/64/35/252146435.db2.gz ZVBLLZQLWUHKAR-WDEREUQCSA-N 2 2 266.345 -1.514 20 0 CAADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000357307555 252148631 /nfs/dbraw/zinc/14/86/31/252148631.db2.gz UQLLHEBYJDZQIQ-GBIKHYSHSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000357919286 252153304 /nfs/dbraw/zinc/15/33/04/252153304.db2.gz JWEQMGPSEHGTCE-MROQNXINSA-N 2 2 283.372 -1.112 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357910160 252153441 /nfs/dbraw/zinc/15/34/41/252153441.db2.gz IGXDWRVBFWDUKV-GMTAPVOTSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357910160 252153443 /nfs/dbraw/zinc/15/34/43/252153443.db2.gz IGXDWRVBFWDUKV-GMTAPVOTSA-N 2 2 257.334 -1.454 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357903982 252153560 /nfs/dbraw/zinc/15/35/60/252153560.db2.gz AZDWKSGZUUEDRP-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000357919138 252153577 /nfs/dbraw/zinc/15/35/77/252153577.db2.gz JQEQOPIEXQJXON-MXWKQRLJSA-N 2 2 257.334 -1.454 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357903981 252153837 /nfs/dbraw/zinc/15/38/37/252153837.db2.gz AZDWKSGZUUEDRP-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000357905001 252153866 /nfs/dbraw/zinc/15/38/66/252153866.db2.gz BUJRDOPKFQKTNS-QCNOEVLYSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000358506828 252156542 /nfs/dbraw/zinc/15/65/42/252156542.db2.gz CLAUGIARASGQLF-MNOVXSKESA-N 2 2 257.334 -1.107 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000359276042 252160092 /nfs/dbraw/zinc/16/00/92/252160092.db2.gz LRXVNOJLLNXQOZ-GHMZBOCLSA-N 2 2 299.400 -1.150 20 0 CAADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359303251 252160591 /nfs/dbraw/zinc/16/05/91/252160591.db2.gz JIQOQQXDANVEMQ-GARJFASQSA-N 2 2 284.360 -1.002 20 0 CAADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359303251 252160594 /nfs/dbraw/zinc/16/05/94/252160594.db2.gz JIQOQQXDANVEMQ-GARJFASQSA-N 2 2 284.360 -1.002 20 0 CAADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359303253 252161034 /nfs/dbraw/zinc/16/10/34/252161034.db2.gz JIQOQQXDANVEMQ-HBNTYKKESA-N 2 2 284.360 -1.002 20 0 CAADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857731 252136201 /nfs/dbraw/zinc/13/62/01/252136201.db2.gz YJNSSNLAJYKUGP-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857731 252136203 /nfs/dbraw/zinc/13/62/03/252136203.db2.gz YJNSSNLAJYKUGP-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000353727290 252138748 /nfs/dbraw/zinc/13/87/48/252138748.db2.gz ULLVDGUJELPTEM-UTUOFQBUSA-N 2 2 298.387 -1.242 20 0 CAADLP CNC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000364960641 252182010 /nfs/dbraw/zinc/18/20/10/252182010.db2.gz ZTGDOFCIMLPPLB-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000364960641 252182014 /nfs/dbraw/zinc/18/20/14/252182014.db2.gz ZTGDOFCIMLPPLB-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP COC(=O)C1(O)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367406513 252182419 /nfs/dbraw/zinc/18/24/19/252182419.db2.gz VTJOQDRHYFMWIM-UHFFFAOYSA-N 2 2 299.371 -1.240 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361284779 252173140 /nfs/dbraw/zinc/17/31/40/252173140.db2.gz ADEQUWHWKNUJSR-WDEREUQCSA-N 2 2 257.334 -1.548 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361560679 252174878 /nfs/dbraw/zinc/17/48/78/252174878.db2.gz ASWPDPOCKATYFU-ZDUSSCGKSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361560679 252174881 /nfs/dbraw/zinc/17/48/81/252174881.db2.gz ASWPDPOCKATYFU-ZDUSSCGKSA-N 2 2 268.361 -1.042 20 0 CAADLP COC[C@](C)(CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000362128710 252176122 /nfs/dbraw/zinc/17/61/22/252176122.db2.gz HIXWJZAXSBXXES-ZDUSSCGKSA-N 2 2 288.392 -1.253 20 0 CAADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826627 252177772 /nfs/dbraw/zinc/17/77/72/252177772.db2.gz PAZYXUKFSFGNBA-SNVBAGLBSA-N 2 2 297.359 -1.532 20 0 CAADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826627 252177777 /nfs/dbraw/zinc/17/77/77/252177777.db2.gz PAZYXUKFSFGNBA-SNVBAGLBSA-N 2 2 297.359 -1.532 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000369304618 252188288 /nfs/dbraw/zinc/18/82/88/252188288.db2.gz DMCVLDRYHFHVTP-CQSZACIVSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000369304618 252188292 /nfs/dbraw/zinc/18/82/92/252188292.db2.gz DMCVLDRYHFHVTP-CQSZACIVSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000369304617 252188766 /nfs/dbraw/zinc/18/87/66/252188766.db2.gz DMCVLDRYHFHVTP-AWEZNQCLSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000369304617 252188770 /nfs/dbraw/zinc/18/87/70/252188770.db2.gz DMCVLDRYHFHVTP-AWEZNQCLSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC000369805176 252189632 /nfs/dbraw/zinc/18/96/32/252189632.db2.gz KKJBJOCHVCTTMD-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC000369805176 252189636 /nfs/dbraw/zinc/18/96/36/252189636.db2.gz KKJBJOCHVCTTMD-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000372159655 252193719 /nfs/dbraw/zinc/19/37/19/252193719.db2.gz DFYMYVXXNCXMJT-FRRDWIJNSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000372159655 252193722 /nfs/dbraw/zinc/19/37/22/252193722.db2.gz DFYMYVXXNCXMJT-FRRDWIJNSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000375242457 252201733 /nfs/dbraw/zinc/20/17/33/252201733.db2.gz OIAQWZLEEILEBN-CYBMUJFWSA-N 2 2 282.388 -1.223 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000375242457 252201734 /nfs/dbraw/zinc/20/17/34/252201734.db2.gz OIAQWZLEEILEBN-CYBMUJFWSA-N 2 2 282.388 -1.223 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000376238064 252203782 /nfs/dbraw/zinc/20/37/82/252203782.db2.gz BVUGPYWNHCKDGR-GFCCVEGCSA-N 2 2 295.387 -1.140 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000376238064 252203786 /nfs/dbraw/zinc/20/37/86/252203786.db2.gz BVUGPYWNHCKDGR-GFCCVEGCSA-N 2 2 295.387 -1.140 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000376238065 252204666 /nfs/dbraw/zinc/20/46/66/252204666.db2.gz BVUGPYWNHCKDGR-LBPRGKRZSA-N 2 2 295.387 -1.140 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000376238065 252204667 /nfs/dbraw/zinc/20/46/67/252204667.db2.gz BVUGPYWNHCKDGR-LBPRGKRZSA-N 2 2 295.387 -1.140 20 0 CAADLP COCC[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000347701056 532950076 /nfs/dbraw/zinc/95/00/76/532950076.db2.gz XSPDGMHXKFMJTN-UHFFFAOYSA-N 2 2 258.322 -2.148 20 0 CAADLP C[C@H]1OCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C(N)=O ZINC000408048672 252218971 /nfs/dbraw/zinc/21/89/71/252218971.db2.gz ZPIACRYZJMDJJJ-YPMHNXCESA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@H]1OCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C(N)=O ZINC000408048672 252218974 /nfs/dbraw/zinc/21/89/74/252218974.db2.gz ZPIACRYZJMDJJJ-YPMHNXCESA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](C)CC1 ZINC000408397998 252238087 /nfs/dbraw/zinc/23/80/87/252238087.db2.gz WYLDGQUFKXAMJJ-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)N1CC[NH+](C)CC1 ZINC000408397999 252238656 /nfs/dbraw/zinc/23/86/56/252238656.db2.gz WYLDGQUFKXAMJJ-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@@H]([NH3+])CCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000434686711 532953597 /nfs/dbraw/zinc/95/35/97/532953597.db2.gz AXJPCRJDUOJLDP-LLVKDONJSA-N 2 2 286.376 -1.322 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408443662 252241672 /nfs/dbraw/zinc/24/16/72/252241672.db2.gz QQICHOGXWDDBFI-UTUOFQBUSA-N 2 2 271.361 -1.424 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408443662 252241676 /nfs/dbraw/zinc/24/16/76/252241676.db2.gz QQICHOGXWDDBFI-UTUOFQBUSA-N 2 2 271.361 -1.424 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000408233831 252229682 /nfs/dbraw/zinc/22/96/82/252229682.db2.gz BMRKOWIFFMQNFF-CYBMUJFWSA-N 2 2 298.387 -1.403 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000408233831 252229687 /nfs/dbraw/zinc/22/96/87/252229687.db2.gz BMRKOWIFFMQNFF-CYBMUJFWSA-N 2 2 298.387 -1.403 20 0 CAADLP CC(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516088410 252253888 /nfs/dbraw/zinc/25/38/88/252253888.db2.gz FNPPVZNJMIPDGG-UWVGGRQHSA-N 2 2 254.334 -1.245 20 0 CAADLP CC(C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516088410 252253892 /nfs/dbraw/zinc/25/38/92/252253892.db2.gz FNPPVZNJMIPDGG-UWVGGRQHSA-N 2 2 254.334 -1.245 20 0 CAADLP CC(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516088413 252254163 /nfs/dbraw/zinc/25/41/63/252254163.db2.gz FNPPVZNJMIPDGG-ZJUUUORDSA-N 2 2 254.334 -1.245 20 0 CAADLP CC(C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516088413 252254164 /nfs/dbraw/zinc/25/41/64/252254164.db2.gz FNPPVZNJMIPDGG-ZJUUUORDSA-N 2 2 254.334 -1.245 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)[NH3+] ZINC000514857210 252250458 /nfs/dbraw/zinc/25/04/58/252250458.db2.gz DRZMSVMVAWKCEJ-SNVBAGLBSA-N 2 2 273.333 -1.333 20 0 CAADLP COCC[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000194620239 532966974 /nfs/dbraw/zinc/96/69/74/532966974.db2.gz LKLNABFSIOLRTH-AWEZNQCLSA-N 2 2 287.404 -1.057 20 0 CAADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000493974408 532965990 /nfs/dbraw/zinc/96/59/90/532965990.db2.gz BDQDIGVAQIARJY-GHMZBOCLSA-N 2 2 286.376 -1.466 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423030324 285040297 /nfs/dbraw/zinc/04/02/97/285040297.db2.gz BFQWNKGOQCNQKD-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423039521 285040447 /nfs/dbraw/zinc/04/04/47/285040447.db2.gz QPMQZTZESMEULO-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000419682829 533029327 /nfs/dbraw/zinc/02/93/27/533029327.db2.gz KGGQIJNYNRAZGF-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COC[C@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000190006726 533031332 /nfs/dbraw/zinc/03/13/32/533031332.db2.gz RBYCLFXSJVWQLN-JTQLQIEISA-N 2 2 274.365 -1.643 20 0 CAADLP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000428651299 533260296 /nfs/dbraw/zinc/26/02/96/533260296.db2.gz LGKMKQZBOGZZLL-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP COCC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)OC ZINC000420354288 533329262 /nfs/dbraw/zinc/32/92/62/533329262.db2.gz CUCFFGIKABSELQ-UHFFFAOYSA-N 2 2 287.360 -1.070 20 0 CAADLP COCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)OC ZINC000420354288 533329270 /nfs/dbraw/zinc/32/92/70/533329270.db2.gz CUCFFGIKABSELQ-UHFFFAOYSA-N 2 2 287.360 -1.070 20 0 CAADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358153420 533497675 /nfs/dbraw/zinc/49/76/75/533497675.db2.gz ITKYSAWSFHEAAD-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909130 781999241 /nfs/dbraw/zinc/99/92/41/781999241.db2.gz KLBHTIGCHIEFAM-IJLUTSLNSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909130 781999246 /nfs/dbraw/zinc/99/92/46/781999246.db2.gz KLBHTIGCHIEFAM-IJLUTSLNSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909131 781999457 /nfs/dbraw/zinc/99/94/57/781999457.db2.gz KLBHTIGCHIEFAM-QJPTWQEYSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909131 781999464 /nfs/dbraw/zinc/99/94/64/781999464.db2.gz KLBHTIGCHIEFAM-QJPTWQEYSA-N 2 2 296.371 -1.105 20 0 CAADLP C[N@H+](CCn1cncn1)CC(=O)N1CC[NH+](C)CC1 ZINC000680835249 545614045 /nfs/dbraw/zinc/61/40/45/545614045.db2.gz HXJZZBBASVLFGK-UHFFFAOYSA-N 2 2 266.349 -1.016 20 0 CAADLP C[N@@H+](CCn1cncn1)CC(=O)N1CC[NH+](C)CC1 ZINC000680835249 545614046 /nfs/dbraw/zinc/61/40/46/545614046.db2.gz HXJZZBBASVLFGK-UHFFFAOYSA-N 2 2 266.349 -1.016 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC000682093349 545616314 /nfs/dbraw/zinc/61/63/14/545616314.db2.gz NIYXQGYCDDCNFQ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC000682093349 545616317 /nfs/dbraw/zinc/61/63/17/545616317.db2.gz NIYXQGYCDDCNFQ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000357307559 296587732 /nfs/dbraw/zinc/58/77/32/296587732.db2.gz UQLLHEBYJDZQIQ-GIPNMCIBSA-N 2 2 268.361 -1.079 20 0 CAADLP C[NH+](C)C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000247194047 289202079 /nfs/dbraw/zinc/20/20/79/289202079.db2.gz OKKGRUOPNBRHHY-UONOGXRCSA-N 2 2 287.404 -1.058 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430882839 297126562 /nfs/dbraw/zinc/12/65/62/297126562.db2.gz NGCIGKILLZXYKO-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430882839 297126563 /nfs/dbraw/zinc/12/65/63/297126563.db2.gz NGCIGKILLZXYKO-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419420135 286848333 /nfs/dbraw/zinc/84/83/33/286848333.db2.gz JXMFINRONFPBSP-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662242716 409319824 /nfs/dbraw/zinc/31/98/24/409319824.db2.gz GXRLORWDYOHVJO-RYUDHWBXSA-N 3 2 270.377 -1.238 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662242716 409319830 /nfs/dbraw/zinc/31/98/30/409319830.db2.gz GXRLORWDYOHVJO-RYUDHWBXSA-N 3 2 270.377 -1.238 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662242715 409319956 /nfs/dbraw/zinc/31/99/56/409319956.db2.gz GXRLORWDYOHVJO-NWDGAFQWSA-N 3 2 270.377 -1.238 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662242715 409319960 /nfs/dbraw/zinc/31/99/60/409319960.db2.gz GXRLORWDYOHVJO-NWDGAFQWSA-N 3 2 270.377 -1.238 20 0 CAADLP O=C1C[NH2+]CCN1[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662266749 409320499 /nfs/dbraw/zinc/32/04/99/409320499.db2.gz LYCFEJDROHZWLZ-CHWSQXEVSA-N 2 2 282.388 -1.129 20 0 CAADLP Cn1c[nH+]cc1CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662286664 409323311 /nfs/dbraw/zinc/32/33/11/409323311.db2.gz VVQBAACCGOSCGK-LBPRGKRZSA-N 3 2 256.350 -1.033 20 0 CAADLP Cn1c[nH+]cc1CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662286664 409323314 /nfs/dbraw/zinc/32/33/14/409323314.db2.gz VVQBAACCGOSCGK-LBPRGKRZSA-N 3 2 256.350 -1.033 20 0 CAADLP CN(C)S(=O)(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000388025108 409325271 /nfs/dbraw/zinc/32/52/71/409325271.db2.gz VERSXMUIILEKCP-UHFFFAOYSA-N 2 2 292.405 -1.759 20 0 CAADLP CN(C)S(=O)(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000388025108 409325276 /nfs/dbraw/zinc/32/52/76/409325276.db2.gz VERSXMUIILEKCP-UHFFFAOYSA-N 2 2 292.405 -1.759 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715222 409370195 /nfs/dbraw/zinc/37/01/95/409370195.db2.gz ZEANUFGNXCVMDF-GDNZZTSVSA-N 2 2 253.346 -1.070 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715222 409370200 /nfs/dbraw/zinc/37/02/00/409370200.db2.gz ZEANUFGNXCVMDF-GDNZZTSVSA-N 2 2 253.346 -1.070 20 0 CAADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298282 409371407 /nfs/dbraw/zinc/37/14/07/409371407.db2.gz AWURPVCNIDBORS-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298282 409371413 /nfs/dbraw/zinc/37/14/13/409371413.db2.gz AWURPVCNIDBORS-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298283 409371451 /nfs/dbraw/zinc/37/14/51/409371451.db2.gz AWURPVCNIDBORS-ZJUUUORDSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298283 409371455 /nfs/dbraw/zinc/37/14/55/409371455.db2.gz AWURPVCNIDBORS-ZJUUUORDSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298280 409371671 /nfs/dbraw/zinc/37/16/71/409371671.db2.gz AWURPVCNIDBORS-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298280 409371676 /nfs/dbraw/zinc/37/16/76/409371676.db2.gz AWURPVCNIDBORS-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000655488841 409372867 /nfs/dbraw/zinc/37/28/67/409372867.db2.gz HADZUUCZKKCJTG-PHIMTYICSA-N 2 2 268.361 -1.125 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@](C)(O)C[NH2+]C ZINC000652338431 409393064 /nfs/dbraw/zinc/39/30/64/409393064.db2.gz BZYSVXXODJSEPQ-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@](C)(O)C[NH2+]C ZINC000652338431 409393068 /nfs/dbraw/zinc/39/30/68/409393068.db2.gz BZYSVXXODJSEPQ-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338473 409393410 /nfs/dbraw/zinc/39/34/10/409393410.db2.gz HKWFFXQVLWRQQK-GWCFXTLKSA-N 2 2 284.360 -1.075 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338473 409393414 /nfs/dbraw/zinc/39/34/14/409393414.db2.gz HKWFFXQVLWRQQK-GWCFXTLKSA-N 2 2 284.360 -1.075 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000652341815 409393848 /nfs/dbraw/zinc/39/38/48/409393848.db2.gz WQCHRCOBDJCTMV-NSHDSACASA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000652341815 409393853 /nfs/dbraw/zinc/39/38/53/409393853.db2.gz WQCHRCOBDJCTMV-NSHDSACASA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000652341814 409393996 /nfs/dbraw/zinc/39/39/96/409393996.db2.gz WQCHRCOBDJCTMV-LLVKDONJSA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000652341814 409394004 /nfs/dbraw/zinc/39/40/04/409394004.db2.gz WQCHRCOBDJCTMV-LLVKDONJSA-N 2 2 279.406 -1.076 20 0 CAADLP CCO[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356732 409396212 /nfs/dbraw/zinc/39/62/12/409396212.db2.gz CWXQSIGVHCJASY-NXEZZACHSA-N 2 2 265.379 -1.169 20 0 CAADLP CCO[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356732 409396214 /nfs/dbraw/zinc/39/62/14/409396214.db2.gz CWXQSIGVHCJASY-NXEZZACHSA-N 2 2 265.379 -1.169 20 0 CAADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000652357992 409397316 /nfs/dbraw/zinc/39/73/16/409397316.db2.gz VTXQWOOVRUEEHB-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000652357992 409397319 /nfs/dbraw/zinc/39/73/19/409397319.db2.gz VTXQWOOVRUEEHB-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124609 409331947 /nfs/dbraw/zinc/33/19/47/409331947.db2.gz BSEKPLIJODVCFR-IPYPFGDCSA-N 2 2 296.415 -1.026 20 0 CAADLP C[NH+](C)CCN1CCC(CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662692947 409332663 /nfs/dbraw/zinc/33/26/63/409332663.db2.gz HIYVTSXPFAZCRQ-UHFFFAOYSA-N 2 2 284.404 -1.290 20 0 CAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000071381898 409333050 /nfs/dbraw/zinc/33/30/50/409333050.db2.gz QNGOCTDQVUZCDI-UHFFFAOYSA-N 2 2 298.387 -1.667 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000662632952 409333982 /nfs/dbraw/zinc/33/39/82/409333982.db2.gz HYVNCTGFVGSZFR-UHFFFAOYSA-N 3 2 299.419 -1.582 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000662632952 409333985 /nfs/dbraw/zinc/33/39/85/409333985.db2.gz HYVNCTGFVGSZFR-UHFFFAOYSA-N 3 2 299.419 -1.582 20 0 CAADLP CN(C)c1[nH+]cc(CNC(=O)C2(O)C[NH2+]C2)n1C ZINC000662729886 409335076 /nfs/dbraw/zinc/33/50/76/409335076.db2.gz PDVAQJJIISZCPZ-UHFFFAOYSA-N 2 2 253.306 -1.563 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662747285 409335220 /nfs/dbraw/zinc/33/52/20/409335220.db2.gz SDBUFEMHRPYUNI-MNOVXSKESA-N 2 2 298.387 -1.242 20 0 CAADLP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832807 409335704 /nfs/dbraw/zinc/33/57/04/409335704.db2.gz LIJJZDXYCAPWIE-MXWKQRLJSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832807 409335708 /nfs/dbraw/zinc/33/57/08/409335708.db2.gz LIJJZDXYCAPWIE-MXWKQRLJSA-N 2 2 271.361 -1.065 20 0 CAADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792208 409336042 /nfs/dbraw/zinc/33/60/42/409336042.db2.gz VQQNIHMMBIKTRG-UHFFFAOYSA-N 2 2 279.344 -1.601 20 0 CAADLP CN(C(=O)C1(O)C[NH2+]C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901224 409338172 /nfs/dbraw/zinc/33/81/72/409338172.db2.gz UPVPLHMCWWIRDT-ZDUSSCGKSA-N 3 2 296.415 -1.052 20 0 CAADLP CN(C(=O)C1(O)C[NH2+]C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901224 409338180 /nfs/dbraw/zinc/33/81/80/409338180.db2.gz UPVPLHMCWWIRDT-ZDUSSCGKSA-N 3 2 296.415 -1.052 20 0 CAADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662955219 409338274 /nfs/dbraw/zinc/33/82/74/409338274.db2.gz YYEIXMMUHZEWHI-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP COC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050117846 409399263 /nfs/dbraw/zinc/39/92/63/409399263.db2.gz ZDZBDVPRHXHWKI-LLVKDONJSA-N 2 2 259.350 -1.301 20 0 CAADLP COC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050117846 409399269 /nfs/dbraw/zinc/39/92/69/409399269.db2.gz ZDZBDVPRHXHWKI-LLVKDONJSA-N 2 2 259.350 -1.301 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCOCC1 ZINC000238105864 409341521 /nfs/dbraw/zinc/34/15/21/409341521.db2.gz PLUHMGYQXYGGTC-UHFFFAOYSA-N 2 2 284.360 -1.743 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237900971 409344939 /nfs/dbraw/zinc/34/49/39/409344939.db2.gz WBGBAJYONLSGHE-NSHDSACASA-N 2 2 284.360 -1.758 20 0 CAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237472965 409345662 /nfs/dbraw/zinc/34/56/62/409345662.db2.gz INPICRBZFQOWTD-VIFPVBQESA-N 2 2 254.334 -1.244 20 0 CAADLP CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000405329582 409350961 /nfs/dbraw/zinc/35/09/61/409350961.db2.gz YQWFVEBMHWCJEE-LLVKDONJSA-N 2 2 279.406 -1.076 20 0 CAADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000647535388 409351730 /nfs/dbraw/zinc/35/17/30/409351730.db2.gz FYGXYWGWLLSOBH-QWHCGFSZSA-N 2 2 281.356 -1.085 20 0 CAADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000647535388 409351734 /nfs/dbraw/zinc/35/17/34/409351734.db2.gz FYGXYWGWLLSOBH-QWHCGFSZSA-N 2 2 281.356 -1.085 20 0 CAADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000647535389 409351994 /nfs/dbraw/zinc/35/19/94/409351994.db2.gz FYGXYWGWLLSOBH-STQMWFEESA-N 2 2 281.356 -1.085 20 0 CAADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000647535389 409351997 /nfs/dbraw/zinc/35/19/97/409351997.db2.gz FYGXYWGWLLSOBH-STQMWFEESA-N 2 2 281.356 -1.085 20 0 CAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653281926 409352760 /nfs/dbraw/zinc/35/27/60/409352760.db2.gz FSZWADSGYVAGLO-BBBLOLIVSA-N 2 2 271.317 -2.287 20 0 CAADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653281926 409352767 /nfs/dbraw/zinc/35/27/67/409352767.db2.gz FSZWADSGYVAGLO-BBBLOLIVSA-N 2 2 271.317 -2.287 20 0 CAADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000248966822 409352908 /nfs/dbraw/zinc/35/29/08/409352908.db2.gz RXJLEWQIDPUKIY-VXGBXAGGSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)CO ZINC000248966822 409352914 /nfs/dbraw/zinc/35/29/14/409352914.db2.gz RXJLEWQIDPUKIY-VXGBXAGGSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)C[C@H](C)O1 ZINC000353045137 409459993 /nfs/dbraw/zinc/45/99/93/409459993.db2.gz RNEUQPDMWVFVRD-AXFHLTTASA-N 2 2 286.376 -1.195 20 0 CAADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)C[C@H](C)O1 ZINC000353045137 409459998 /nfs/dbraw/zinc/45/99/98/409459998.db2.gz RNEUQPDMWVFVRD-AXFHLTTASA-N 2 2 286.376 -1.195 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000182821621 409410889 /nfs/dbraw/zinc/41/08/89/409410889.db2.gz PRZWIMCIPWQVGA-LBPRGKRZSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCC[NH3+] ZINC000647847169 409411847 /nfs/dbraw/zinc/41/18/47/409411847.db2.gz DMKXYNOQBXSTSM-MRVPVSSYSA-N 2 2 297.359 -1.482 20 0 CAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCC[NH3+] ZINC000647847169 409411854 /nfs/dbraw/zinc/41/18/54/409411854.db2.gz DMKXYNOQBXSTSM-MRVPVSSYSA-N 2 2 297.359 -1.482 20 0 CAADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865168 409415157 /nfs/dbraw/zinc/41/51/57/409415157.db2.gz AWYBNYDTTKFBPE-RYUDHWBXSA-N 3 2 270.377 -1.144 20 0 CAADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865168 409415160 /nfs/dbraw/zinc/41/51/60/409415160.db2.gz AWYBNYDTTKFBPE-RYUDHWBXSA-N 3 2 270.377 -1.144 20 0 CAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652735861 409418651 /nfs/dbraw/zinc/41/86/51/409418651.db2.gz WARPDQVTARGLFI-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000341711329 409419606 /nfs/dbraw/zinc/41/96/06/409419606.db2.gz ZIZZIRKGJBBAGB-UPJWGTAASA-N 2 2 285.388 -1.007 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000341711329 409419612 /nfs/dbraw/zinc/41/96/12/409419612.db2.gz ZIZZIRKGJBBAGB-UPJWGTAASA-N 2 2 285.388 -1.007 20 0 CAADLP CC[N@H+](CCO)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000345784476 409429360 /nfs/dbraw/zinc/42/93/60/409429360.db2.gz YPSXLYGLHUAITD-UHFFFAOYSA-N 2 2 288.392 -1.068 20 0 CAADLP CC[N@@H+](CCO)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000345784476 409429365 /nfs/dbraw/zinc/42/93/65/409429365.db2.gz YPSXLYGLHUAITD-UHFFFAOYSA-N 2 2 288.392 -1.068 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346965404 409436330 /nfs/dbraw/zinc/43/63/30/409436330.db2.gz IEPMVLGXXHEPAP-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346965404 409436332 /nfs/dbraw/zinc/43/63/32/409436332.db2.gz IEPMVLGXXHEPAP-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346965404 409436334 /nfs/dbraw/zinc/43/63/34/409436334.db2.gz IEPMVLGXXHEPAP-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346965404 409436337 /nfs/dbraw/zinc/43/63/37/409436337.db2.gz IEPMVLGXXHEPAP-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000346965410 409436507 /nfs/dbraw/zinc/43/65/07/409436507.db2.gz IEPMVLGXXHEPAP-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000346965410 409436510 /nfs/dbraw/zinc/43/65/10/409436510.db2.gz IEPMVLGXXHEPAP-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346965410 409436512 /nfs/dbraw/zinc/43/65/12/409436512.db2.gz IEPMVLGXXHEPAP-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346965410 409436517 /nfs/dbraw/zinc/43/65/17/409436517.db2.gz IEPMVLGXXHEPAP-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CC[N@H+](CCO)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000519614420 409448283 /nfs/dbraw/zinc/44/82/83/409448283.db2.gz YFFKIJMIRRQQFL-CYBMUJFWSA-N 2 2 275.393 -1.417 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538439 409450213 /nfs/dbraw/zinc/45/02/13/409450213.db2.gz RDRVTSQCQVBGLW-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538439 409450219 /nfs/dbraw/zinc/45/02/19/409450219.db2.gz RDRVTSQCQVBGLW-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000659638290 409456333 /nfs/dbraw/zinc/45/63/33/409456333.db2.gz RZLKDOIFIXKYHZ-GFCCVEGCSA-N 2 2 288.392 -1.070 20 0 CAADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[NH+]1CCOCC1 ZINC000353000014 409456916 /nfs/dbraw/zinc/45/69/16/409456916.db2.gz XIFPZTQIFDBGSK-GHMZBOCLSA-N 2 2 286.376 -1.338 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000659638292 409457574 /nfs/dbraw/zinc/45/75/74/409457574.db2.gz RZLKDOIFIXKYHZ-LBPRGKRZSA-N 2 2 288.392 -1.070 20 0 CAADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)C[C@@H](C)O1 ZINC000353045146 409458260 /nfs/dbraw/zinc/45/82/60/409458260.db2.gz RNEUQPDMWVFVRD-GMTAPVOTSA-N 2 2 286.376 -1.195 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478861 409468834 /nfs/dbraw/zinc/46/88/34/409468834.db2.gz SWRFQUHZEAUWDH-QWHCGFSZSA-N 2 2 298.387 -1.221 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361284776 409467112 /nfs/dbraw/zinc/46/71/12/409467112.db2.gz ADEQUWHWKNUJSR-GHMZBOCLSA-N 2 2 257.334 -1.548 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000659678480 409468318 /nfs/dbraw/zinc/46/83/18/409468318.db2.gz YSVMKZJHCFAUQV-VIFPVBQESA-N 2 2 253.306 -1.277 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[C@H]1F ZINC000659677802 409468452 /nfs/dbraw/zinc/46/84/52/409468452.db2.gz VFZPQTDGRIKZAX-NXEZZACHSA-N 2 2 283.307 -1.103 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562988 409474315 /nfs/dbraw/zinc/47/43/15/409474315.db2.gz SVACZNCSVOWWHU-GRYCIOLGSA-N 2 2 262.350 -1.647 20 0 CAADLP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659717016 409472129 /nfs/dbraw/zinc/47/21/29/409472129.db2.gz YZKSQVDUAAHQSK-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C[NH3+])C1 ZINC000653054967 409472600 /nfs/dbraw/zinc/47/26/00/409472600.db2.gz DIZJUEZZVFLDIZ-IUCAKERBSA-N 2 2 276.362 -2.221 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C[NH3+])C1 ZINC000653054967 409472604 /nfs/dbraw/zinc/47/26/04/409472604.db2.gz DIZJUEZZVFLDIZ-IUCAKERBSA-N 2 2 276.362 -2.221 20 0 CAADLP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659717020 409472829 /nfs/dbraw/zinc/47/28/29/409472829.db2.gz YZKSQVDUAAHQSK-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000645685256 409474187 /nfs/dbraw/zinc/47/41/87/409474187.db2.gz XZJGRXNWORGRTF-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@H+]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000645685256 409474191 /nfs/dbraw/zinc/47/41/91/409474191.db2.gz XZJGRXNWORGRTF-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478861 409468839 /nfs/dbraw/zinc/46/88/39/409468839.db2.gz SWRFQUHZEAUWDH-QWHCGFSZSA-N 2 2 298.387 -1.221 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562988 409474305 /nfs/dbraw/zinc/47/43/05/409474305.db2.gz SVACZNCSVOWWHU-GRYCIOLGSA-N 2 2 262.350 -1.647 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562988 409474307 /nfs/dbraw/zinc/47/43/07/409474307.db2.gz SVACZNCSVOWWHU-GRYCIOLGSA-N 2 2 262.350 -1.647 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562988 409474311 /nfs/dbraw/zinc/47/43/11/409474311.db2.gz SVACZNCSVOWWHU-GRYCIOLGSA-N 2 2 262.350 -1.647 20 0 CAADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000424188707 409478900 /nfs/dbraw/zinc/47/89/00/409478900.db2.gz YUCZKXJMGBXUOA-WOPDTQHZSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3COCC[NH2+]3)[C@H]2C1 ZINC000424188707 409478906 /nfs/dbraw/zinc/47/89/06/409478906.db2.gz YUCZKXJMGBXUOA-WOPDTQHZSA-N 2 2 269.345 -1.094 20 0 CAADLP CC(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516088407 409479009 /nfs/dbraw/zinc/47/90/09/409479009.db2.gz FNPPVZNJMIPDGG-NXEZZACHSA-N 2 2 254.334 -1.245 20 0 CAADLP CC(C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516088407 409479014 /nfs/dbraw/zinc/47/90/14/409479014.db2.gz FNPPVZNJMIPDGG-NXEZZACHSA-N 2 2 254.334 -1.245 20 0 CAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000424183160 409480406 /nfs/dbraw/zinc/48/04/06/409480406.db2.gz IODIADJHAVVERJ-SDDRHHMPSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]21 ZINC000424183160 409480411 /nfs/dbraw/zinc/48/04/11/409480411.db2.gz IODIADJHAVVERJ-SDDRHHMPSA-N 2 2 269.345 -1.094 20 0 CAADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659719418 409474951 /nfs/dbraw/zinc/47/49/51/409474951.db2.gz XBTLQLZHUATISA-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000653594200 409474974 /nfs/dbraw/zinc/47/49/74/409474974.db2.gz CULVNCQYEWGJJC-GHMZBOCLSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000653594200 409474977 /nfs/dbraw/zinc/47/49/77/409474977.db2.gz CULVNCQYEWGJJC-GHMZBOCLSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000653594200 409474981 /nfs/dbraw/zinc/47/49/81/409474981.db2.gz CULVNCQYEWGJJC-GHMZBOCLSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000653594200 409474984 /nfs/dbraw/zinc/47/49/84/409474984.db2.gz CULVNCQYEWGJJC-GHMZBOCLSA-N 2 2 274.365 -1.332 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646335852 409487279 /nfs/dbraw/zinc/48/72/79/409487279.db2.gz AAHRDPAAFABPCQ-WDEREUQCSA-N 2 2 266.345 -1.371 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H](C[NH3+])C1 ZINC000646833155 409495361 /nfs/dbraw/zinc/49/53/61/409495361.db2.gz HHDIGOCDQRMKMI-LBPRGKRZSA-N 2 2 291.355 -1.087 20 0 CAADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H](C[NH3+])C1 ZINC000646833155 409495366 /nfs/dbraw/zinc/49/53/66/409495366.db2.gz HHDIGOCDQRMKMI-LBPRGKRZSA-N 2 2 291.355 -1.087 20 0 CAADLP CN1C(=O)CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835324 409495452 /nfs/dbraw/zinc/49/54/52/409495452.db2.gz CSHAVYWQAKOSRI-NXEZZACHSA-N 2 2 254.334 -1.292 20 0 CAADLP CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835324 409495453 /nfs/dbraw/zinc/49/54/53/409495453.db2.gz CSHAVYWQAKOSRI-NXEZZACHSA-N 2 2 254.334 -1.292 20 0 CAADLP CC1(C)C[NH2+][C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000646427863 409489402 /nfs/dbraw/zinc/48/94/02/409489402.db2.gz ZGHDPAAAFJKAQJ-LBPRGKRZSA-N 2 2 298.387 -1.451 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000653775376 409490557 /nfs/dbraw/zinc/49/05/57/409490557.db2.gz ZULCAISIRDQWKA-JTQLQIEISA-N 2 2 259.350 -1.267 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000653775376 409490561 /nfs/dbraw/zinc/49/05/61/409490561.db2.gz ZULCAISIRDQWKA-JTQLQIEISA-N 2 2 259.350 -1.267 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCc1[nH]cc[nH+]1 ZINC000646441095 409490790 /nfs/dbraw/zinc/49/07/90/409490790.db2.gz ZNSBTAQGQOBFME-UHFFFAOYSA-N 2 2 251.290 -1.500 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000659648596 409561617 /nfs/dbraw/zinc/56/16/17/409561617.db2.gz UIEOZGNHKVIYCQ-NEPJUHHUSA-N 2 2 288.392 -1.071 20 0 CAADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659708907 409563817 /nfs/dbraw/zinc/56/38/17/409563817.db2.gz BVTLRHWGTFQMTB-SNVBAGLBSA-N 2 2 270.333 -2.006 20 0 CAADLP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659711264 409564454 /nfs/dbraw/zinc/56/44/54/409564454.db2.gz WPEAGCIXAQHUKB-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659714321 409565697 /nfs/dbraw/zinc/56/56/97/409565697.db2.gz UKWOVQJRWGDPAT-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000649075061 409503503 /nfs/dbraw/zinc/50/35/03/409503503.db2.gz VUYFAGGSOGPXHG-NEPJUHHUSA-N 2 2 298.387 -1.105 20 0 CAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000649075061 409503505 /nfs/dbraw/zinc/50/35/05/409503505.db2.gz VUYFAGGSOGPXHG-NEPJUHHUSA-N 2 2 298.387 -1.105 20 0 CAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000649075063 409503950 /nfs/dbraw/zinc/50/39/50/409503950.db2.gz VUYFAGGSOGPXHG-RYUDHWBXSA-N 2 2 298.387 -1.105 20 0 CAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000649075063 409503954 /nfs/dbraw/zinc/50/39/54/409503954.db2.gz VUYFAGGSOGPXHG-RYUDHWBXSA-N 2 2 298.387 -1.105 20 0 CAADLP [NH3+]C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000131207829 409506960 /nfs/dbraw/zinc/50/69/60/409506960.db2.gz HFZBXGUWIXGDMI-SNVBAGLBSA-N 2 2 254.334 -1.242 20 0 CAADLP O=C(CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)NCC[NH+]1CCOCC1 ZINC000649307889 409508070 /nfs/dbraw/zinc/50/80/70/409508070.db2.gz VKQPEIGRGJWLBY-PJXYFTJBSA-N 2 2 296.371 -1.984 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649293873 409508082 /nfs/dbraw/zinc/50/80/82/409508082.db2.gz NHLHTOLXUCYQLV-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649293870 409508136 /nfs/dbraw/zinc/50/81/36/409508136.db2.gz MYXKXQUHHBBQFB-ITGUQSILSA-N 2 2 280.372 -1.268 20 0 CAADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2nncn2C)CC1 ZINC000655946995 409519265 /nfs/dbraw/zinc/51/92/65/409519265.db2.gz PCMCVWJHLNDXGD-LBPRGKRZSA-N 2 2 268.365 -1.093 20 0 CAADLP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023061 409524301 /nfs/dbraw/zinc/52/43/01/409524301.db2.gz SUHWEPGKLJLRRZ-MXWKQRLJSA-N 2 2 298.387 -1.312 20 0 CAADLP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023060 409524430 /nfs/dbraw/zinc/52/44/30/409524430.db2.gz SUHWEPGKLJLRRZ-GARJFASQSA-N 2 2 298.387 -1.312 20 0 CAADLP C[C@@H](CNC(=O)C(=O)NCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656018161 409524586 /nfs/dbraw/zinc/52/45/86/409524586.db2.gz PXUHVUWALKNNAZ-GARJFASQSA-N 2 2 286.376 -1.325 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129343562 409531397 /nfs/dbraw/zinc/53/13/97/409531397.db2.gz JJSBTXPVHUVBEZ-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129343562 409531403 /nfs/dbraw/zinc/53/14/03/409531403.db2.gz JJSBTXPVHUVBEZ-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP CNS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091752 409534518 /nfs/dbraw/zinc/53/45/18/409534518.db2.gz PBHLYPIQGVQXJN-UHFFFAOYSA-N 2 2 252.384 -1.076 20 0 CAADLP CNS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091752 409534528 /nfs/dbraw/zinc/53/45/28/409534528.db2.gz PBHLYPIQGVQXJN-UHFFFAOYSA-N 2 2 252.384 -1.076 20 0 CAADLP Nc1nc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000624117174 409539967 /nfs/dbraw/zinc/53/99/67/409539967.db2.gz IMOFDYZBBSHIAK-SECBINFHSA-N 2 2 279.348 -1.002 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659731324 409569310 /nfs/dbraw/zinc/56/93/10/409569310.db2.gz LDIJQFLZZVEPRP-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000130296315 409542912 /nfs/dbraw/zinc/54/29/12/409542912.db2.gz ZNMABNLWGJHCCX-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP Nc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000624160357 409543440 /nfs/dbraw/zinc/54/34/40/409543440.db2.gz RJYCLQKBOBDTQW-UHFFFAOYSA-N 2 2 261.293 -1.254 20 0 CAADLP Nc1nc(N)[nH+]c(N2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000624160357 409543459 /nfs/dbraw/zinc/54/34/59/409543459.db2.gz RJYCLQKBOBDTQW-UHFFFAOYSA-N 2 2 261.293 -1.254 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624167728 409545711 /nfs/dbraw/zinc/54/57/11/409545711.db2.gz KWBFHSLLEFKGQU-QMMMGPOBSA-N 2 2 267.337 -1.146 20 0 CAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624142393 409546103 /nfs/dbraw/zinc/54/61/03/409546103.db2.gz WBOXYXZLVUNEBO-MRVPVSSYSA-N 2 2 281.364 -1.022 20 0 CAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624142393 409546112 /nfs/dbraw/zinc/54/61/12/409546112.db2.gz WBOXYXZLVUNEBO-MRVPVSSYSA-N 2 2 281.364 -1.022 20 0 CAADLP CC1(C)CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CCO ZINC000624142884 409546684 /nfs/dbraw/zinc/54/66/84/409546684.db2.gz NLHHUGZBVJRYOK-UHFFFAOYSA-N 2 2 267.337 -1.410 20 0 CAADLP CC1(C)CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CCO ZINC000624142884 409546695 /nfs/dbraw/zinc/54/66/95/409546695.db2.gz NLHHUGZBVJRYOK-UHFFFAOYSA-N 2 2 267.337 -1.410 20 0 CAADLP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CC(C)(C)O ZINC000624144299 409547034 /nfs/dbraw/zinc/54/70/34/409547034.db2.gz MCEJXRYFZRKALM-QMMMGPOBSA-N 2 2 281.364 -1.022 20 0 CAADLP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CC(C)(C)O ZINC000624144299 409547040 /nfs/dbraw/zinc/54/70/40/409547040.db2.gz MCEJXRYFZRKALM-QMMMGPOBSA-N 2 2 281.364 -1.022 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1F ZINC000659388600 409554587 /nfs/dbraw/zinc/55/45/87/409554587.db2.gz BXCIZLDEVAVOMQ-RKDXNWHRSA-N 2 2 258.297 -1.684 20 0 CAADLP Cn1cc(C[NH2+]CC23CC(C2)C[NH2+]3)c(=O)n(C)c1=O ZINC000663502562 409621365 /nfs/dbraw/zinc/62/13/65/409621365.db2.gz VFVFSXOIXRJNLL-UHFFFAOYSA-N 2 2 264.329 -1.074 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663492243 409621878 /nfs/dbraw/zinc/62/18/78/409621878.db2.gz QGHFBMPKVHXXQH-UHFFFAOYSA-N 2 2 268.317 -2.381 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000664002233 409629683 /nfs/dbraw/zinc/62/96/83/409629683.db2.gz HQLAPYHXXVNVLI-WOPDTQHZSA-N 2 2 286.376 -1.367 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000664002233 409629692 /nfs/dbraw/zinc/62/96/92/409629692.db2.gz HQLAPYHXXVNVLI-WOPDTQHZSA-N 2 2 286.376 -1.367 20 0 CAADLP Cn1nnc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664776034 409633203 /nfs/dbraw/zinc/63/32/03/409633203.db2.gz UOOXEIAHLCXKDW-UHFFFAOYSA-N 2 2 298.395 -1.107 20 0 CAADLP Cn1nnc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664776034 409633209 /nfs/dbraw/zinc/63/32/09/409633209.db2.gz UOOXEIAHLCXKDW-UHFFFAOYSA-N 2 2 298.395 -1.107 20 0 CAADLP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659719667 409570477 /nfs/dbraw/zinc/57/04/77/409570477.db2.gz JQEGINCCPPYXGP-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659749319 409571964 /nfs/dbraw/zinc/57/19/64/409571964.db2.gz GQGGBXVBOKVOJO-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659753235 409572262 /nfs/dbraw/zinc/57/22/62/409572262.db2.gz MIMSVWDTMDBFBY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000659752352 409573491 /nfs/dbraw/zinc/57/34/91/409573491.db2.gz YZIJWUZJFDPHPC-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662277921 409585515 /nfs/dbraw/zinc/58/55/15/409585515.db2.gz VHKKHRLXIAUEOC-ZJUUUORDSA-N 2 2 263.363 -1.272 20 0 CAADLP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662277921 409585524 /nfs/dbraw/zinc/58/55/24/409585524.db2.gz VHKKHRLXIAUEOC-ZJUUUORDSA-N 2 2 263.363 -1.272 20 0 CAADLP CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662236597 409587352 /nfs/dbraw/zinc/58/73/52/409587352.db2.gz FWMVKXCOWPYQBJ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662236597 409587358 /nfs/dbraw/zinc/58/73/58/409587358.db2.gz FWMVKXCOWPYQBJ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CN1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662243619 409587406 /nfs/dbraw/zinc/58/74/06/409587406.db2.gz NPZDIOUWCHSSQC-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CN1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662243619 409587413 /nfs/dbraw/zinc/58/74/13/409587413.db2.gz NPZDIOUWCHSSQC-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP OCCN(CC[NH+]1CCOCC1)C[C@H]1C[NH2+]CCO1 ZINC000662261102 409587435 /nfs/dbraw/zinc/58/74/35/409587435.db2.gz UHDUOBZOGPXMLT-CYBMUJFWSA-N 2 2 273.377 -1.399 20 0 CAADLP CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662236595 409587571 /nfs/dbraw/zinc/58/75/71/409587571.db2.gz FWMVKXCOWPYQBJ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662236595 409587579 /nfs/dbraw/zinc/58/75/79/409587579.db2.gz FWMVKXCOWPYQBJ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP Cc1cc(NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO)no1 ZINC000662288629 409589938 /nfs/dbraw/zinc/58/99/38/409589938.db2.gz RZCHDPPSMSRQGG-JTQLQIEISA-N 2 2 286.332 -1.074 20 0 CAADLP Cc1cc(NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO)no1 ZINC000662288629 409589942 /nfs/dbraw/zinc/58/99/42/409589942.db2.gz RZCHDPPSMSRQGG-JTQLQIEISA-N 2 2 286.332 -1.074 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287972 409590695 /nfs/dbraw/zinc/59/06/95/409590695.db2.gz LDZFPFPDFLXDSX-LBPRGKRZSA-N 3 2 288.392 -2.236 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287972 409590700 /nfs/dbraw/zinc/59/07/00/409590700.db2.gz LDZFPFPDFLXDSX-LBPRGKRZSA-N 3 2 288.392 -2.236 20 0 CAADLP Cc1cc(NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO)no1 ZINC000662288630 409592039 /nfs/dbraw/zinc/59/20/39/409592039.db2.gz RZCHDPPSMSRQGG-SNVBAGLBSA-N 2 2 286.332 -1.074 20 0 CAADLP Cc1cc(NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO)no1 ZINC000662288630 409592044 /nfs/dbraw/zinc/59/20/44/409592044.db2.gz RZCHDPPSMSRQGG-SNVBAGLBSA-N 2 2 286.332 -1.074 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])NC1=O ZINC000662428988 409593861 /nfs/dbraw/zinc/59/38/61/409593861.db2.gz MQFMAEFHRVWWDI-DTWKUNHWSA-N 2 2 255.322 -1.889 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])NC1=O ZINC000662428988 409593863 /nfs/dbraw/zinc/59/38/63/409593863.db2.gz MQFMAEFHRVWWDI-DTWKUNHWSA-N 2 2 255.322 -1.889 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])NC1=O ZINC000662428987 409594438 /nfs/dbraw/zinc/59/44/38/409594438.db2.gz MQFMAEFHRVWWDI-BDAKNGLRSA-N 2 2 255.322 -1.889 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])NC1=O ZINC000662428987 409594443 /nfs/dbraw/zinc/59/44/43/409594443.db2.gz MQFMAEFHRVWWDI-BDAKNGLRSA-N 2 2 255.322 -1.889 20 0 CAADLP CC(C)[NH2+]CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000662526952 409599759 /nfs/dbraw/zinc/59/97/59/409599759.db2.gz OJKBTBKTNKJFEU-UHFFFAOYSA-N 2 2 286.376 -1.451 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662673484 409600894 /nfs/dbraw/zinc/60/08/94/409600894.db2.gz LHOWXCDLYHKSAJ-UHFFFAOYSA-N 2 2 257.334 -1.499 20 0 CAADLP C[NH+]1CCN(C(=O)CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662678228 409601804 /nfs/dbraw/zinc/60/18/04/409601804.db2.gz CUMPHSVSVUKTNI-UHFFFAOYSA-N 2 2 270.333 -2.399 20 0 CAADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000662660074 409602111 /nfs/dbraw/zinc/60/21/11/409602111.db2.gz XVLKXOGKCRXRDR-GHMZBOCLSA-N 2 2 257.334 -1.201 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662633025 409602155 /nfs/dbraw/zinc/60/21/55/409602155.db2.gz XICDSZJJGXKQJD-GFCCVEGCSA-N 3 2 272.393 -1.026 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662633025 409602159 /nfs/dbraw/zinc/60/21/59/409602159.db2.gz XICDSZJJGXKQJD-GFCCVEGCSA-N 3 2 272.393 -1.026 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000662632050 409602717 /nfs/dbraw/zinc/60/27/17/409602717.db2.gz WZCBQJYOVYHQJM-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000662632050 409602728 /nfs/dbraw/zinc/60/27/28/409602728.db2.gz WZCBQJYOVYHQJM-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000662632093 409602787 /nfs/dbraw/zinc/60/27/87/409602787.db2.gz LYBZWQGOYZLPIP-UHFFFAOYSA-N 3 2 273.381 -1.939 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000662632093 409602798 /nfs/dbraw/zinc/60/27/98/409602798.db2.gz LYBZWQGOYZLPIP-UHFFFAOYSA-N 3 2 273.381 -1.939 20 0 CAADLP [NH3+]CCOCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656262 409603052 /nfs/dbraw/zinc/60/30/52/409603052.db2.gz OPTOJOOPPSVPQJ-LLVKDONJSA-N 2 2 257.334 -1.105 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662630692 409603316 /nfs/dbraw/zinc/60/33/16/409603316.db2.gz HRYRAAULBNCSEX-UHFFFAOYSA-N 3 2 297.407 -1.150 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662630692 409603325 /nfs/dbraw/zinc/60/33/25/409603325.db2.gz HRYRAAULBNCSEX-UHFFFAOYSA-N 3 2 297.407 -1.150 20 0 CAADLP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)C1(O)C[NH2+]C1 ZINC000662667111 409603864 /nfs/dbraw/zinc/60/38/64/409603864.db2.gz XTHLNMVGODQDKD-NSHDSACASA-N 2 2 269.345 -1.356 20 0 CAADLP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000662758368 409606706 /nfs/dbraw/zinc/60/67/06/409606706.db2.gz QYEQHLBJMWRYGG-NSHDSACASA-N 2 2 270.377 -1.680 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662831629 409610378 /nfs/dbraw/zinc/61/03/78/409610378.db2.gz FUPYQQMLIIEMQV-UHFFFAOYSA-N 2 2 287.360 -1.872 20 0 CAADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1(O)C[NH2+]C1 ZINC000662870932 409610633 /nfs/dbraw/zinc/61/06/33/409610633.db2.gz PYCMULNRLYJTTM-SNVBAGLBSA-N 2 2 255.318 -1.746 20 0 CAADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1(O)C[NH2+]C1 ZINC000662870931 409611036 /nfs/dbraw/zinc/61/10/36/409611036.db2.gz PYCMULNRLYJTTM-JTQLQIEISA-N 2 2 255.318 -1.746 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662948527 409615019 /nfs/dbraw/zinc/61/50/19/409615019.db2.gz XAWTYXPUQBMYRZ-NEPJUHHUSA-N 2 2 296.371 -1.521 20 0 CAADLP O=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000662946618 409615510 /nfs/dbraw/zinc/61/55/10/409615510.db2.gz GJCQPLIYIBEPQX-GFCCVEGCSA-N 2 2 296.371 -1.649 20 0 CAADLP COc1c(N)[nH+]cnc1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000584729557 409707168 /nfs/dbraw/zinc/70/71/68/409707168.db2.gz BRYYFLJRKXUURR-ZDUSSCGKSA-N 2 2 297.359 -0.438 20 0 CAADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2COCC[NH2+]2)n1 ZINC000430871918 409647941 /nfs/dbraw/zinc/64/79/41/409647941.db2.gz YNMWXNXJSXOXJR-SNVBAGLBSA-N 2 2 267.333 -0.628 20 0 CAADLP [NH3+]CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430724956 409666899 /nfs/dbraw/zinc/66/68/99/409666899.db2.gz WEERPWXVMKLXGX-UHFFFAOYSA-N 2 2 267.333 -0.497 20 0 CAADLP Nc1[nH+]cnc(NCC(=O)N2CC[NH2+]CC2)c1Cl ZINC000564434576 409668607 /nfs/dbraw/zinc/66/86/07/409668607.db2.gz BXPNLCZGMQTPRG-UHFFFAOYSA-N 2 2 270.724 -0.444 20 0 CAADLP Nc1nc[nH+]c(NCC(=O)N2CC[NH2+]CC2)c1Cl ZINC000564434576 409668612 /nfs/dbraw/zinc/66/86/12/409668612.db2.gz BXPNLCZGMQTPRG-UHFFFAOYSA-N 2 2 270.724 -0.444 20 0 CAADLP Cc1cc(NC(=O)CC[N@H+](CC[NH3+])CCO)no1 ZINC000342398989 409687101 /nfs/dbraw/zinc/68/71/01/409687101.db2.gz KAGJAOKBVUVDNI-UHFFFAOYSA-N 2 2 256.306 -0.435 20 0 CAADLP Cc1cc(NC(=O)CC[N@@H+](CC[NH3+])CCO)no1 ZINC000342398989 409687108 /nfs/dbraw/zinc/68/71/08/409687108.db2.gz KAGJAOKBVUVDNI-UHFFFAOYSA-N 2 2 256.306 -0.435 20 0 CAADLP C[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430725583 409721537 /nfs/dbraw/zinc/72/15/37/409721537.db2.gz XYUJESNMXZXDJO-SNVBAGLBSA-N 2 2 267.333 -0.499 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001195701298 782015205 /nfs/dbraw/zinc/01/52/05/782015205.db2.gz LOEDJYNYZVWGFG-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001195701298 782015211 /nfs/dbraw/zinc/01/52/11/782015211.db2.gz LOEDJYNYZVWGFG-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701745 782015225 /nfs/dbraw/zinc/01/52/25/782015225.db2.gz QQENFWPTCZIHTI-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701745 782015230 /nfs/dbraw/zinc/01/52/30/782015230.db2.gz QQENFWPTCZIHTI-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195851019 782018517 /nfs/dbraw/zinc/01/85/17/782018517.db2.gz RLEWAKYWKVDIAN-VXGBXAGGSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001195851019 782018524 /nfs/dbraw/zinc/01/85/24/782018524.db2.gz RLEWAKYWKVDIAN-VXGBXAGGSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001195859464 782018984 /nfs/dbraw/zinc/01/89/84/782018984.db2.gz JZTQWNWNTOTARF-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1O ZINC001195859464 782018990 /nfs/dbraw/zinc/01/89/90/782018990.db2.gz JZTQWNWNTOTARF-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859628 782019216 /nfs/dbraw/zinc/01/92/16/782019216.db2.gz MGRMWKGOXUECGJ-OPRDCNLKSA-N 2 2 272.349 -2.027 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859628 782019229 /nfs/dbraw/zinc/01/92/29/782019229.db2.gz MGRMWKGOXUECGJ-OPRDCNLKSA-N 2 2 272.349 -2.027 20 0 CAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869989 782019656 /nfs/dbraw/zinc/01/96/56/782019656.db2.gz GQEUCCKAPMRJFP-OUAUKWLOSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869989 782019647 /nfs/dbraw/zinc/01/96/47/782019647.db2.gz GQEUCCKAPMRJFP-OUAUKWLOSA-N 2 2 286.376 -1.637 20 0 CAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000004899768 170038064 /nfs/dbraw/zinc/03/80/64/170038064.db2.gz BVQMQRWLLWQCLL-IUCAKERBSA-N 2 2 251.290 -1.244 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859623 782019813 /nfs/dbraw/zinc/01/98/13/782019813.db2.gz MGRMWKGOXUECGJ-IVZWLZJFSA-N 2 2 272.349 -2.027 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859623 782019818 /nfs/dbraw/zinc/01/98/18/782019818.db2.gz MGRMWKGOXUECGJ-IVZWLZJFSA-N 2 2 272.349 -2.027 20 0 CAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859058 782020051 /nfs/dbraw/zinc/02/00/51/782020051.db2.gz DBWGEGMAJVSNAA-HBNTYKKESA-N 2 2 286.376 -1.766 20 0 CAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859058 782020042 /nfs/dbraw/zinc/02/00/42/782020042.db2.gz DBWGEGMAJVSNAA-HBNTYKKESA-N 2 2 286.376 -1.766 20 0 CAADLP CN(C)S(=O)(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000020181808 171045698 /nfs/dbraw/zinc/04/56/98/171045698.db2.gz NRAVRWQTYQRODF-UHFFFAOYSA-N 2 2 250.368 -1.241 20 0 CAADLP CC[NH+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000020247762 171101398 /nfs/dbraw/zinc/10/13/98/171101398.db2.gz AACFCSYJIOEVDF-UHFFFAOYSA-N 2 2 262.379 -1.226 20 0 CAADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000038031325 174024585 /nfs/dbraw/zinc/02/45/85/174024585.db2.gz RFMNEICEGWFSOU-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000038031325 174024586 /nfs/dbraw/zinc/02/45/86/174024586.db2.gz RFMNEICEGWFSOU-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP COCCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031356 174024922 /nfs/dbraw/zinc/02/49/22/174024922.db2.gz CKDIKUOCEDAGRL-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP COCCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031356 174024925 /nfs/dbraw/zinc/02/49/25/174024925.db2.gz CKDIKUOCEDAGRL-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031545 174026077 /nfs/dbraw/zinc/02/60/77/174026077.db2.gz KTKNZRLPSPMVLI-VIFPVBQESA-N 2 2 285.348 -1.806 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031545 174026079 /nfs/dbraw/zinc/02/60/79/174026079.db2.gz KTKNZRLPSPMVLI-VIFPVBQESA-N 2 2 285.348 -1.806 20 0 CAADLP CNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031361 174026319 /nfs/dbraw/zinc/02/63/19/174026319.db2.gz HVIWVQQUZMRING-UHFFFAOYSA-N 2 2 271.321 -2.194 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031361 174026320 /nfs/dbraw/zinc/02/63/20/174026320.db2.gz HVIWVQQUZMRING-UHFFFAOYSA-N 2 2 271.321 -2.194 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353425723 228100718 /nfs/dbraw/zinc/10/07/18/228100718.db2.gz HPAFKQZIWLUWKS-VIFPVBQESA-N 2 2 272.349 -1.632 20 0 CAADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC000333656773 228208915 /nfs/dbraw/zinc/20/89/15/228208915.db2.gz GAOFOMIQMFSXAA-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC000333656773 228208916 /nfs/dbraw/zinc/20/89/16/228208916.db2.gz GAOFOMIQMFSXAA-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000332250090 228153394 /nfs/dbraw/zinc/15/33/94/228153394.db2.gz BZIWIIDCFJZOTI-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000333694607 228210170 /nfs/dbraw/zinc/21/01/70/228210170.db2.gz QDBNMFAMYMAIPW-NRUUGDAUSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000167570283 228182494 /nfs/dbraw/zinc/18/24/94/228182494.db2.gz VOYCBJDTBIYHKK-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000171971536 230189066 /nfs/dbraw/zinc/18/90/66/230189066.db2.gz JQLYQROUZPDANH-NSHDSACASA-N 2 2 259.350 -1.301 20 0 CAADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)O1 ZINC000094563989 230166421 /nfs/dbraw/zinc/16/64/21/230166421.db2.gz DSABHCCPZHTSIW-MNOVXSKESA-N 2 2 257.334 -1.059 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)C1CC[NH+](C)CC1 ZINC000125276451 230171969 /nfs/dbraw/zinc/17/19/69/230171969.db2.gz HXHDBIJNCCOISQ-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000165525461 230186759 /nfs/dbraw/zinc/18/67/59/230186759.db2.gz NNNBJWSOLXCLHD-LBPRGKRZSA-N 2 2 296.371 -1.649 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000167696484 230187090 /nfs/dbraw/zinc/18/70/90/230187090.db2.gz ZTBUMDZHPJHEEA-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000167995271 230187815 /nfs/dbraw/zinc/18/78/15/230187815.db2.gz OGIPWJDZUYJYGN-NWDGAFQWSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000167995271 230187819 /nfs/dbraw/zinc/18/78/19/230187819.db2.gz OGIPWJDZUYJYGN-NWDGAFQWSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000173657736 230189817 /nfs/dbraw/zinc/18/98/17/230189817.db2.gz AXKLQQUFIUREII-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP NC(=O)[C@@H]1C[NH+](CCCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001196092539 782027158 /nfs/dbraw/zinc/02/71/58/782027158.db2.gz IHTHVCJNUSYISH-NXEZZACHSA-N 2 2 265.317 -1.208 20 0 CAADLP C[NH+](C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000176483092 230192363 /nfs/dbraw/zinc/19/23/63/230192363.db2.gz HOECLYNAGYRLBJ-GFCCVEGCSA-N 2 2 259.350 -1.253 20 0 CAADLP C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803652 230195941 /nfs/dbraw/zinc/19/59/41/230195941.db2.gz AHNYRQQTGOUYIK-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000187706443 230203293 /nfs/dbraw/zinc/20/32/93/230203293.db2.gz XOKYDYQLGOBLJN-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000187706443 230203298 /nfs/dbraw/zinc/20/32/98/230203298.db2.gz XOKYDYQLGOBLJN-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP COC1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]CC1 ZINC000261576432 230217389 /nfs/dbraw/zinc/21/73/89/230217389.db2.gz CDCKWWFFJXPYAV-UHFFFAOYSA-N 2 2 271.361 -1.109 20 0 CAADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000261929427 230221150 /nfs/dbraw/zinc/22/11/50/230221150.db2.gz ZQTHNVRJQLWCMY-GFCCVEGCSA-N 2 2 254.334 -1.385 20 0 CAADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000261929427 230221156 /nfs/dbraw/zinc/22/11/56/230221156.db2.gz ZQTHNVRJQLWCMY-GFCCVEGCSA-N 2 2 254.334 -1.385 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261875982 230221206 /nfs/dbraw/zinc/22/12/06/230221206.db2.gz DTDHGZUBRNXXHA-PWSUYJOCSA-N 2 2 284.360 -1.747 20 0 CAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000262318276 230226570 /nfs/dbraw/zinc/22/65/70/230226570.db2.gz CMFNBUWDUALLPJ-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423614094 230272405 /nfs/dbraw/zinc/27/24/05/230272405.db2.gz WSKAUCROWNZKSD-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423602437 230274175 /nfs/dbraw/zinc/27/41/75/230274175.db2.gz GCQBQAGOPXTIRH-NWDGAFQWSA-N 2 2 298.387 -1.668 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423660137 230276110 /nfs/dbraw/zinc/27/61/10/230276110.db2.gz FWZDQUNEFWPENE-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1COCC[NH2+]1 ZINC000424166032 230278227 /nfs/dbraw/zinc/27/82/27/230278227.db2.gz FUCSMCHLCUVFJF-LLVKDONJSA-N 2 2 257.334 -1.187 20 0 CAADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1COCC[NH2+]1 ZINC000424166032 230278233 /nfs/dbraw/zinc/27/82/33/230278233.db2.gz FUCSMCHLCUVFJF-LLVKDONJSA-N 2 2 257.334 -1.187 20 0 CAADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000424215266 230281665 /nfs/dbraw/zinc/28/16/65/230281665.db2.gz FINWHSNFZHFSOJ-JTQLQIEISA-N 2 2 286.376 -1.242 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCCC1 ZINC000430830888 230308328 /nfs/dbraw/zinc/30/83/28/230308328.db2.gz RFZOBGPRYAJCEI-UHFFFAOYSA-N 2 2 254.334 -1.370 20 0 CAADLP COCC[NH2+]CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430808679 230308347 /nfs/dbraw/zinc/30/83/47/230308347.db2.gz NJJUZLCLBBFWPV-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP [NH3+][C@@H]1CC[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000431063556 230310548 /nfs/dbraw/zinc/31/05/48/230310548.db2.gz FPQUMMPJXPYGOT-NWDGAFQWSA-N 2 2 298.387 -1.322 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000431002988 230310723 /nfs/dbraw/zinc/31/07/23/230310723.db2.gz FCGIFHYEJGIAAO-OLZOCXBDSA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000431002988 230310730 /nfs/dbraw/zinc/31/07/30/230310730.db2.gz FCGIFHYEJGIAAO-OLZOCXBDSA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430884466 230312483 /nfs/dbraw/zinc/31/24/83/230312483.db2.gz XAGCVLKZOYXKAC-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430884466 230312491 /nfs/dbraw/zinc/31/24/91/230312491.db2.gz XAGCVLKZOYXKAC-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430892124 230312713 /nfs/dbraw/zinc/31/27/13/230312713.db2.gz AXWRUWHIKHXYJZ-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[NH+](C)C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000438928629 230322572 /nfs/dbraw/zinc/32/25/72/230322572.db2.gz IAXWUCMYCOQLLA-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000479292905 230354329 /nfs/dbraw/zinc/35/43/29/230354329.db2.gz BUJRDOPKFQKTNS-DDHJBXDOSA-N 2 2 271.361 -1.065 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000518974450 265267712 /nfs/dbraw/zinc/26/77/12/265267712.db2.gz LYJBYWFDQGVSKL-SECBINFHSA-N 2 2 278.378 -1.973 20 0 CAADLP C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000518974450 265267715 /nfs/dbraw/zinc/26/77/15/265267715.db2.gz LYJBYWFDQGVSKL-SECBINFHSA-N 2 2 278.378 -1.973 20 0 CAADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196501402 782038629 /nfs/dbraw/zinc/03/86/29/782038629.db2.gz YOOLGOVXORHWBE-QJPTWQEYSA-N 2 2 282.344 -1.012 20 0 CAADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196501402 782038638 /nfs/dbraw/zinc/03/86/38/782038638.db2.gz YOOLGOVXORHWBE-QJPTWQEYSA-N 2 2 282.344 -1.012 20 0 CAADLP C[NH+]1CC2(CN(C[C@H](O)C[NH+]3CCOCC3)C2)C1 ZINC001251024251 782038756 /nfs/dbraw/zinc/03/87/56/782038756.db2.gz RBAZRLYPBBBWAF-GFCCVEGCSA-N 2 2 255.362 -1.073 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](CC2CC2)CC1 ZINC000238083672 269087146 /nfs/dbraw/zinc/08/71/46/269087146.db2.gz UZTSPKYXOVSYDM-UHFFFAOYSA-N 2 2 280.372 -1.028 20 0 CAADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCOCC1 ZINC000237404118 269087179 /nfs/dbraw/zinc/08/71/79/269087179.db2.gz GJCFUHBZMLHSQQ-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000238144852 269087193 /nfs/dbraw/zinc/08/71/93/269087193.db2.gz VKPMCEYQKIDEGY-LBPRGKRZSA-N 2 2 298.387 -1.307 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCCC[NH+]1CCOCC1 ZINC000238105516 269087215 /nfs/dbraw/zinc/08/72/15/269087215.db2.gz MSEFTTACBZDHBC-UHFFFAOYSA-N 2 2 298.387 -1.353 20 0 CAADLP COCCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237189397 269087322 /nfs/dbraw/zinc/08/73/22/269087322.db2.gz LXYGYJJBBQZBIP-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP COCCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237189397 269087324 /nfs/dbraw/zinc/08/73/24/269087324.db2.gz LXYGYJJBBQZBIP-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP C[NH+](C)C1(CNC(=O)CN2CC[NH2+]CC2=O)CCOCC1 ZINC000237080784 269087513 /nfs/dbraw/zinc/08/75/13/269087513.db2.gz HHSKWZVZHPBQAW-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH+](C)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000237191308 269087519 /nfs/dbraw/zinc/08/75/19/269087519.db2.gz YFPKXMHBVSZDBY-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP COC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000311934193 269087901 /nfs/dbraw/zinc/08/79/01/269087901.db2.gz WKTIZLXRKWYEFX-ZDUSSCGKSA-N 2 2 271.361 -1.251 20 0 CAADLP C[NH+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000517367349 269088739 /nfs/dbraw/zinc/08/87/39/269088739.db2.gz IXNYJKNSDUUJEH-NSHDSACASA-N 2 2 268.361 -1.172 20 0 CAADLP CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000522001304 269089961 /nfs/dbraw/zinc/08/99/61/269089961.db2.gz PKYSRISQMMVKGF-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015660 269090051 /nfs/dbraw/zinc/09/00/51/269090051.db2.gz YVBFLSPOTVXOJM-VHSXEESVSA-N 2 2 295.343 -1.782 20 0 CAADLP C[N@@H+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000529389069 269093303 /nfs/dbraw/zinc/09/33/03/269093303.db2.gz QIWQTRBZPIUFPR-QWRGUYRKSA-N 3 2 271.365 -1.741 20 0 CAADLP C[N@H+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000529389069 269093305 /nfs/dbraw/zinc/09/33/05/269093305.db2.gz QIWQTRBZPIUFPR-QWRGUYRKSA-N 3 2 271.365 -1.741 20 0 CAADLP CN1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000529357524 269093415 /nfs/dbraw/zinc/09/34/15/269093415.db2.gz CQWYOTYZXQJWTR-QWRGUYRKSA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000529357524 269093416 /nfs/dbraw/zinc/09/34/16/269093416.db2.gz CQWYOTYZXQJWTR-QWRGUYRKSA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000529357523 269093480 /nfs/dbraw/zinc/09/34/80/269093480.db2.gz CQWYOTYZXQJWTR-MNOVXSKESA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000529357523 269093481 /nfs/dbraw/zinc/09/34/81/269093481.db2.gz CQWYOTYZXQJWTR-MNOVXSKESA-N 2 2 283.376 -1.109 20 0 CAADLP COCC[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529377112 269093748 /nfs/dbraw/zinc/09/37/48/269093748.db2.gz XJKVEIFHOFWWQZ-LBPRGKRZSA-N 2 2 286.376 -1.052 20 0 CAADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000529389062 269093782 /nfs/dbraw/zinc/09/37/82/269093782.db2.gz QIWQTRBZPIUFPR-GHMZBOCLSA-N 3 2 271.365 -1.741 20 0 CAADLP C[N@H+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000529389062 269093783 /nfs/dbraw/zinc/09/37/83/269093783.db2.gz QIWQTRBZPIUFPR-GHMZBOCLSA-N 3 2 271.365 -1.741 20 0 CAADLP CN1CC[C@H]([NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1=O ZINC000530222363 269094552 /nfs/dbraw/zinc/09/45/52/269094552.db2.gz JGEHGDWNRXMMJK-LBPRGKRZSA-N 2 2 295.387 -1.140 20 0 CAADLP [NH3+]CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222718 269094730 /nfs/dbraw/zinc/09/47/30/269094730.db2.gz JZOADZQTASAJPU-UHFFFAOYSA-N 3 2 255.366 -1.022 20 0 CAADLP [NH3+]CCOCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224453 269094750 /nfs/dbraw/zinc/09/47/50/269094750.db2.gz SDBWJPUEQVFTNY-UHFFFAOYSA-N 3 2 285.392 -1.396 20 0 CAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000530225187 269094814 /nfs/dbraw/zinc/09/48/14/269094814.db2.gz UJRWBJJKQQUAML-UHFFFAOYSA-N 2 2 293.375 -1.079 20 0 CAADLP C[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001197043090 782045372 /nfs/dbraw/zinc/04/53/72/782045372.db2.gz BKTSJVBSNHOUBP-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP C[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)NC(N)=O)CC1 ZINC001197043090 782045382 /nfs/dbraw/zinc/04/53/82/782045382.db2.gz BKTSJVBSNHOUBP-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@@]1(C)C[NH3+] ZINC000417824955 287886185 /nfs/dbraw/zinc/88/61/85/287886185.db2.gz APVKNBPAPZYXIR-ZWNOBZJWSA-N 2 2 268.361 -1.139 20 0 CAADLP CC[C@H](C(N)=O)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000104945819 276612406 /nfs/dbraw/zinc/61/24/06/276612406.db2.gz IPBFQWXHPVIOFI-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000178725164 277118874 /nfs/dbraw/zinc/11/88/74/277118874.db2.gz ZZQDWILAJCDZRJ-VXGBXAGGSA-N 2 2 268.361 -1.567 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000178725164 277118875 /nfs/dbraw/zinc/11/88/75/277118875.db2.gz ZZQDWILAJCDZRJ-VXGBXAGGSA-N 2 2 268.361 -1.567 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](C)C1 ZINC000413894661 277134355 /nfs/dbraw/zinc/13/43/55/277134355.db2.gz CXNCPCAJDCASRK-RYUDHWBXSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](C)C1 ZINC000413894661 277134357 /nfs/dbraw/zinc/13/43/57/277134357.db2.gz CXNCPCAJDCASRK-RYUDHWBXSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894661 277134358 /nfs/dbraw/zinc/13/43/58/277134358.db2.gz CXNCPCAJDCASRK-RYUDHWBXSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894661 277134359 /nfs/dbraw/zinc/13/43/59/277134359.db2.gz CXNCPCAJDCASRK-RYUDHWBXSA-N 2 2 299.371 -1.120 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000419682833 278233230 /nfs/dbraw/zinc/23/32/30/278233230.db2.gz KGGQIJNYNRAZGF-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430802563 278278898 /nfs/dbraw/zinc/27/88/98/278278898.db2.gz NCDMHIRCCJIGDQ-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000037821727 278891014 /nfs/dbraw/zinc/89/10/14/278891014.db2.gz ZODKYBLERRVKAU-JTQLQIEISA-N 2 2 256.350 -1.011 20 0 CAADLP CC(C)C[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000037821726 278893027 /nfs/dbraw/zinc/89/30/27/278893027.db2.gz ZODKYBLERRVKAU-SNVBAGLBSA-N 2 2 256.350 -1.011 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000371820808 279383039 /nfs/dbraw/zinc/38/30/39/279383039.db2.gz PTCQCVDKSGQUKF-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000371820808 279383043 /nfs/dbraw/zinc/38/30/43/279383043.db2.gz PTCQCVDKSGQUKF-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000371820808 279383044 /nfs/dbraw/zinc/38/30/44/279383044.db2.gz PTCQCVDKSGQUKF-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000371820808 279383047 /nfs/dbraw/zinc/38/30/47/279383047.db2.gz PTCQCVDKSGQUKF-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000371820809 279387738 /nfs/dbraw/zinc/38/77/38/279387738.db2.gz PTCQCVDKSGQUKF-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000371820809 279387739 /nfs/dbraw/zinc/38/77/39/279387739.db2.gz PTCQCVDKSGQUKF-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000371820809 279387740 /nfs/dbraw/zinc/38/77/40/279387740.db2.gz PTCQCVDKSGQUKF-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000371820809 279387742 /nfs/dbraw/zinc/38/77/42/279387742.db2.gz PTCQCVDKSGQUKF-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@@H+]1C[C@H](C)O ZINC000438885214 280366238 /nfs/dbraw/zinc/36/62/38/280366238.db2.gz SNCMNAVQEHVUOI-AXFHLTTASA-N 2 2 286.376 -1.507 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@H+]1C[C@H](C)O ZINC000438885214 280366240 /nfs/dbraw/zinc/36/62/40/280366240.db2.gz SNCMNAVQEHVUOI-AXFHLTTASA-N 2 2 286.376 -1.507 20 0 CAADLP C[NH+](C)C/C=C/C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000372527934 282018638 /nfs/dbraw/zinc/01/86/38/282018638.db2.gz VNHDWDQNEWWEEL-ZYOFXKKJSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)C/C=C/C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000372527934 282018642 /nfs/dbraw/zinc/01/86/42/282018642.db2.gz VNHDWDQNEWWEEL-ZYOFXKKJSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)C/C=C\C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000492722794 289039953 /nfs/dbraw/zinc/03/99/53/289039953.db2.gz VNHDWDQNEWWEEL-RXNFCKPNSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)C/C=C\C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000492722794 289039954 /nfs/dbraw/zinc/03/99/54/289039954.db2.gz VNHDWDQNEWWEEL-RXNFCKPNSA-N 2 2 298.387 -1.251 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000330477158 290075632 /nfs/dbraw/zinc/07/56/32/290075632.db2.gz LQYHJPPSQCHTKU-NWDGAFQWSA-N 2 2 287.360 -1.874 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000330477158 290075641 /nfs/dbraw/zinc/07/56/41/290075641.db2.gz LQYHJPPSQCHTKU-NWDGAFQWSA-N 2 2 287.360 -1.874 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198030391 782061202 /nfs/dbraw/zinc/06/12/02/782061202.db2.gz ZMVXTJWGHAPYTA-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198030391 782061211 /nfs/dbraw/zinc/06/12/11/782061211.db2.gz ZMVXTJWGHAPYTA-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198030391 782061221 /nfs/dbraw/zinc/06/12/21/782061221.db2.gz ZMVXTJWGHAPYTA-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001198030391 782061233 /nfs/dbraw/zinc/06/12/33/782061233.db2.gz ZMVXTJWGHAPYTA-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424144878 295325124 /nfs/dbraw/zinc/32/51/24/295325124.db2.gz MJTYWOFVEGPHER-SDDRHHMPSA-N 2 2 296.371 -1.617 20 0 CAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000167570515 298057050 /nfs/dbraw/zinc/05/70/50/298057050.db2.gz VOYCBJDTBIYHKK-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000432518424 300179235 /nfs/dbraw/zinc/17/92/35/300179235.db2.gz JWEQMGPSEHGTCE-WUHRBBMRSA-N 2 2 283.372 -1.112 20 0 CAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423607985 300320173 /nfs/dbraw/zinc/32/01/73/300320173.db2.gz NDPAKIXZQJPGHR-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001152439487 782066572 /nfs/dbraw/zinc/06/65/72/782066572.db2.gz NYTABZJGOKKHFB-UHFFFAOYSA-N 2 2 284.364 -1.346 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199104961 782074472 /nfs/dbraw/zinc/07/44/72/782074472.db2.gz XYAMISRYNTYAGG-GRYCIOLGSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199104961 782074479 /nfs/dbraw/zinc/07/44/79/782074479.db2.gz XYAMISRYNTYAGG-GRYCIOLGSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199104961 782074487 /nfs/dbraw/zinc/07/44/87/782074487.db2.gz XYAMISRYNTYAGG-GRYCIOLGSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001199104961 782074495 /nfs/dbraw/zinc/07/44/95/782074495.db2.gz XYAMISRYNTYAGG-GRYCIOLGSA-N 2 2 298.387 -1.624 20 0 CAADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(N)=O)c1cccnc1 ZINC001152618001 782083199 /nfs/dbraw/zinc/08/31/99/782083199.db2.gz HSGSIGLLIHEKJY-LBPRGKRZSA-N 2 2 279.344 -1.125 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001199355068 782078786 /nfs/dbraw/zinc/07/87/86/782078786.db2.gz CPCGUAUOOJZFBF-GRYCIOLGSA-N 2 2 291.359 -1.720 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000189396646 533700837 /nfs/dbraw/zinc/70/08/37/533700837.db2.gz WMXSGNRNLDNJQP-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP Cn1c(N)c(C(=O)C[NH2+]CC2([NH3+])CCC2)c(=O)n(C)c1=O ZINC000575923356 327992439 /nfs/dbraw/zinc/99/24/39/327992439.db2.gz GRBPFYNAYHVAMI-UHFFFAOYSA-N 2 2 295.343 -1.680 20 0 CAADLP COCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563439553 328065480 /nfs/dbraw/zinc/06/54/80/328065480.db2.gz GRNVJKIHNQGZQA-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP COCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563439553 328065482 /nfs/dbraw/zinc/06/54/82/328065482.db2.gz GRNVJKIHNQGZQA-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP COCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563439551 328065517 /nfs/dbraw/zinc/06/55/17/328065517.db2.gz GRNVJKIHNQGZQA-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP COCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563439551 328065519 /nfs/dbraw/zinc/06/55/19/328065519.db2.gz GRNVJKIHNQGZQA-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP COCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563439552 328065568 /nfs/dbraw/zinc/06/55/68/328065568.db2.gz GRNVJKIHNQGZQA-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP COCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563439552 328065569 /nfs/dbraw/zinc/06/55/69/328065569.db2.gz GRNVJKIHNQGZQA-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563628506 328078511 /nfs/dbraw/zinc/07/85/11/328078511.db2.gz DAGLHTXOIJEUCP-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563628506 328078512 /nfs/dbraw/zinc/07/85/12/328078512.db2.gz DAGLHTXOIJEUCP-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571083929 328085007 /nfs/dbraw/zinc/08/50/07/328085007.db2.gz XNUHXXCJCQOTLQ-ZJUUUORDSA-N 2 2 252.318 -1.762 20 0 CAADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000571336849 328111434 /nfs/dbraw/zinc/11/14/34/328111434.db2.gz PLJXEWMLINZDBA-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000571336849 328111435 /nfs/dbraw/zinc/11/14/35/328111435.db2.gz PLJXEWMLINZDBA-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000557297286 327000634 /nfs/dbraw/zinc/00/06/34/327000634.db2.gz GXJPYNNPQHTZGI-LLVKDONJSA-N 2 2 284.360 -2.011 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297493 327000836 /nfs/dbraw/zinc/00/08/36/327000836.db2.gz UEUXBLPLZIEGRG-SNVBAGLBSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569202525 327044234 /nfs/dbraw/zinc/04/42/34/327044234.db2.gz HMVHNNQVFDNOHZ-STQMWFEESA-N 2 2 299.419 -1.009 20 0 CAADLP CC1(NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]CC1 ZINC000569342610 327098868 /nfs/dbraw/zinc/09/88/68/327098868.db2.gz DUVVBAISYZDRJN-UHFFFAOYSA-N 2 2 254.334 -1.324 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000584239687 327109848 /nfs/dbraw/zinc/10/98/48/327109848.db2.gz JBYRJODIJDIKMM-SECBINFHSA-N 2 2 280.332 -1.406 20 0 CAADLP Cn1cnnc1C[NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000584239688 327109881 /nfs/dbraw/zinc/10/98/81/327109881.db2.gz JBYRJODIJDIKMM-VIFPVBQESA-N 2 2 280.332 -1.406 20 0 CAADLP Cn1[nH]c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc1=O ZINC000569484588 327184672 /nfs/dbraw/zinc/18/46/72/327184672.db2.gz ARRUGVKOADLXQU-JTQLQIEISA-N 2 2 294.359 -1.495 20 0 CAADLP Cn1[nH]c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc1=O ZINC000569484588 327184674 /nfs/dbraw/zinc/18/46/74/327184674.db2.gz ARRUGVKOADLXQU-JTQLQIEISA-N 2 2 294.359 -1.495 20 0 CAADLP Cn1[nH]c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc1=O ZINC000569484589 327184818 /nfs/dbraw/zinc/18/48/18/327184818.db2.gz ARRUGVKOADLXQU-SNVBAGLBSA-N 2 2 294.359 -1.495 20 0 CAADLP Cn1[nH]c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc1=O ZINC000569484589 327184819 /nfs/dbraw/zinc/18/48/19/327184819.db2.gz ARRUGVKOADLXQU-SNVBAGLBSA-N 2 2 294.359 -1.495 20 0 CAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569576813 327200756 /nfs/dbraw/zinc/20/07/56/327200756.db2.gz MWCZFBBDLGFGGG-SECBINFHSA-N 2 2 283.332 -1.923 20 0 CAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000569576813 327200757 /nfs/dbraw/zinc/20/07/57/327200757.db2.gz MWCZFBBDLGFGGG-SECBINFHSA-N 2 2 283.332 -1.923 20 0 CAADLP Cc1noc(COCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000577278567 327248681 /nfs/dbraw/zinc/24/86/81/327248681.db2.gz FJHYVWSFKOTIMF-SNVBAGLBSA-N 2 2 283.332 -1.004 20 0 CAADLP Cc1noc(COCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000577278567 327248683 /nfs/dbraw/zinc/24/86/83/327248683.db2.gz FJHYVWSFKOTIMF-SNVBAGLBSA-N 2 2 283.332 -1.004 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]C1 ZINC000574275459 327307320 /nfs/dbraw/zinc/30/73/20/327307320.db2.gz FUNARFSLUGLMDX-WDEREUQCSA-N 2 2 268.361 -1.078 20 0 CAADLP CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000574689780 327364906 /nfs/dbraw/zinc/36/49/06/327364906.db2.gz UMJLXWILSWKRQU-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP CCN1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000561218132 327376638 /nfs/dbraw/zinc/37/66/38/327376638.db2.gz SCDNAMYQRDRMMV-WDEREUQCSA-N 2 2 283.376 -1.109 20 0 CAADLP CCN1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000561218132 327376639 /nfs/dbraw/zinc/37/66/39/327376639.db2.gz SCDNAMYQRDRMMV-WDEREUQCSA-N 2 2 283.376 -1.109 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000570709243 327612606 /nfs/dbraw/zinc/61/26/06/327612606.db2.gz KMNZWKJRKBBILL-NEPJUHHUSA-N 2 2 280.372 -1.029 20 0 CAADLP O[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000583694099 329004495 /nfs/dbraw/zinc/00/44/95/329004495.db2.gz WOIUQVUOBPMESD-KBPBESRZSA-N 2 2 287.404 -1.274 20 0 CAADLP O[C@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000583694101 329004555 /nfs/dbraw/zinc/00/45/55/329004555.db2.gz WOIUQVUOBPMESD-UONOGXRCSA-N 2 2 287.404 -1.274 20 0 CAADLP C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796287 329208142 /nfs/dbraw/zinc/20/81/42/329208142.db2.gz BCFDZIOXTRDSDN-FRRDWIJNSA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1CN(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796287 329208144 /nfs/dbraw/zinc/20/81/44/329208144.db2.gz BCFDZIOXTRDSDN-FRRDWIJNSA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796288 329208307 /nfs/dbraw/zinc/20/83/07/329208307.db2.gz BCFDZIOXTRDSDN-JHJVBQTASA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1CN(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796288 329208308 /nfs/dbraw/zinc/20/83/08/329208308.db2.gz BCFDZIOXTRDSDN-JHJVBQTASA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582797388 329209411 /nfs/dbraw/zinc/20/94/11/329209411.db2.gz OMCZATBPRYUIJT-QWRGUYRKSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582797388 329209409 /nfs/dbraw/zinc/20/94/09/329209409.db2.gz OMCZATBPRYUIJT-QWRGUYRKSA-N 2 2 284.360 -1.699 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345569 329283210 /nfs/dbraw/zinc/28/32/10/329283210.db2.gz AVXJXKYLAOGFPS-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345569 329283212 /nfs/dbraw/zinc/28/32/12/329283212.db2.gz AVXJXKYLAOGFPS-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345569 329283213 /nfs/dbraw/zinc/28/32/13/329283213.db2.gz AVXJXKYLAOGFPS-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345569 329283215 /nfs/dbraw/zinc/28/32/15/329283215.db2.gz AVXJXKYLAOGFPS-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583074656 329310523 /nfs/dbraw/zinc/31/05/23/329310523.db2.gz AEXWIJQQNHAHRB-UHFFFAOYSA-N 2 2 289.339 -1.182 20 0 CAADLP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000580431384 330131340 /nfs/dbraw/zinc/13/13/40/330131340.db2.gz KMCKLFDYHNUSBH-NWDGAFQWSA-N 2 2 261.366 -1.808 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000575431249 335103864 /nfs/dbraw/zinc/10/38/64/335103864.db2.gz YNNIEAPEFXSQPW-RYUDHWBXSA-N 2 2 286.376 -1.317 20 0 CAADLP CO[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C[NH3+])C1 ZINC000566249280 334638851 /nfs/dbraw/zinc/63/88/51/334638851.db2.gz QTFSQAAZNUPZLX-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP [NH3+]CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)F ZINC000568999636 334850677 /nfs/dbraw/zinc/85/06/77/334850677.db2.gz OXYOHCLRXZYWNJ-SSDOTTSWSA-N 2 2 264.276 -1.483 20 0 CAADLP CNC(=O)CC[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000575822507 335119275 /nfs/dbraw/zinc/11/92/75/335119275.db2.gz BYDBDIWGMJFXNX-LLVKDONJSA-N 2 2 261.366 -1.007 20 0 CAADLP CNC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000575822507 335119276 /nfs/dbraw/zinc/11/92/76/335119276.db2.gz BYDBDIWGMJFXNX-LLVKDONJSA-N 2 2 261.366 -1.007 20 0 CAADLP CNC(=O)CC[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000575822507 335119277 /nfs/dbraw/zinc/11/92/77/335119277.db2.gz BYDBDIWGMJFXNX-LLVKDONJSA-N 2 2 261.366 -1.007 20 0 CAADLP CNC(=O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000575822507 335119278 /nfs/dbraw/zinc/11/92/78/335119278.db2.gz BYDBDIWGMJFXNX-LLVKDONJSA-N 2 2 261.366 -1.007 20 0 CAADLP NC(=O)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516702081 333080997 /nfs/dbraw/zinc/08/09/97/333080997.db2.gz HPYJLUOBRXWOOL-UHFFFAOYSA-N 2 2 252.278 -1.273 20 0 CAADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000516926707 333086574 /nfs/dbraw/zinc/08/65/74/333086574.db2.gz XUCVRSBYLNTMRN-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000572528984 333383018 /nfs/dbraw/zinc/38/30/18/333383018.db2.gz DMCSSOJEDQLONK-RYUDHWBXSA-N 3 2 272.393 -1.210 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000572528984 333383019 /nfs/dbraw/zinc/38/30/19/333383019.db2.gz DMCSSOJEDQLONK-RYUDHWBXSA-N 3 2 272.393 -1.210 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000572528983 333383040 /nfs/dbraw/zinc/38/30/40/333383040.db2.gz DMCSSOJEDQLONK-NWDGAFQWSA-N 3 2 272.393 -1.210 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000572528983 333383041 /nfs/dbraw/zinc/38/30/41/333383041.db2.gz DMCSSOJEDQLONK-NWDGAFQWSA-N 3 2 272.393 -1.210 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000575983930 335137946 /nfs/dbraw/zinc/13/79/46/335137946.db2.gz GRRZJTVLFKUXPU-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC000249505519 334334938 /nfs/dbraw/zinc/33/49/38/334334938.db2.gz KLVAJERBVNVDGL-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC000249505519 334334939 /nfs/dbraw/zinc/33/49/39/334334939.db2.gz KLVAJERBVNVDGL-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC000249505519 334334940 /nfs/dbraw/zinc/33/49/40/334334940.db2.gz KLVAJERBVNVDGL-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC000249505519 334334941 /nfs/dbraw/zinc/33/49/41/334334941.db2.gz KLVAJERBVNVDGL-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000565154893 334540977 /nfs/dbraw/zinc/54/09/77/334540977.db2.gz CFIHXELPPRYWET-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000565714504 334590384 /nfs/dbraw/zinc/59/03/84/334590384.db2.gz LKFSDTMTIUVGQP-QWRGUYRKSA-N 2 2 287.360 -1.039 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000566168069 334631071 /nfs/dbraw/zinc/63/10/71/334631071.db2.gz YWMUUBOQWBIXDY-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000566204565 334635669 /nfs/dbraw/zinc/63/56/69/334635669.db2.gz PBXXPMPWHSYBQU-NXEZZACHSA-N 2 2 254.334 -1.468 20 0 CAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@](C)(O)CO)C[C@@H](C)O1 ZINC000567876980 334770771 /nfs/dbraw/zinc/77/07/71/334770771.db2.gz DHTLIYJUFNEVJR-LPWJVIDDSA-N 2 2 276.377 -1.211 20 0 CAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@](C)(O)CO)C[C@@H](C)O1 ZINC000567876979 334770988 /nfs/dbraw/zinc/77/09/88/334770988.db2.gz DHTLIYJUFNEVJR-FDYHWXHSSA-N 2 2 276.377 -1.211 20 0 CAADLP CC[NH+]1CCN(C(=O)CNC(=O)C[NH+](C)C)CC1 ZINC000580603910 335300608 /nfs/dbraw/zinc/30/06/08/335300608.db2.gz XYXPYGDKHYJJSW-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000580713512 335959093 /nfs/dbraw/zinc/95/90/93/335959093.db2.gz VEJLTSKWCMDWJO-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000193567466 335977110 /nfs/dbraw/zinc/97/71/10/335977110.db2.gz PRTDVFDLDDLDQE-JQWIXIFHSA-N 2 2 268.361 -1.125 20 0 CAADLP [NH3+][C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000580890844 335980315 /nfs/dbraw/zinc/98/03/15/335980315.db2.gz ATTPPMUKPZTYAA-CYBMUJFWSA-N 2 2 298.387 -1.322 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260484 336033948 /nfs/dbraw/zinc/03/39/48/336033948.db2.gz IXBSOKTXSJEUPX-QWRGUYRKSA-N 2 2 266.345 -1.147 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260484 336033949 /nfs/dbraw/zinc/03/39/49/336033949.db2.gz IXBSOKTXSJEUPX-QWRGUYRKSA-N 2 2 266.345 -1.147 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260478 336034018 /nfs/dbraw/zinc/03/40/18/336034018.db2.gz IXBSOKTXSJEUPX-GHMZBOCLSA-N 2 2 266.345 -1.147 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260478 336034019 /nfs/dbraw/zinc/03/40/19/336034019.db2.gz IXBSOKTXSJEUPX-GHMZBOCLSA-N 2 2 266.345 -1.147 20 0 CAADLP Cn1cnnc1C[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000581377549 336064713 /nfs/dbraw/zinc/06/47/13/336064713.db2.gz HTSJVOCDHURBHL-JTQLQIEISA-N 2 2 294.359 -1.016 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000581489562 336088566 /nfs/dbraw/zinc/08/85/66/336088566.db2.gz MGCSYFMLKPLGCT-SECBINFHSA-N 2 2 297.359 -1.582 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000581489562 336088568 /nfs/dbraw/zinc/08/85/68/336088568.db2.gz MGCSYFMLKPLGCT-SECBINFHSA-N 2 2 297.359 -1.582 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000581550616 336100913 /nfs/dbraw/zinc/10/09/13/336100913.db2.gz HRHZCRPTRONFHP-CYBMUJFWSA-N 3 2 283.420 -1.275 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000581550616 336100915 /nfs/dbraw/zinc/10/09/15/336100915.db2.gz HRHZCRPTRONFHP-CYBMUJFWSA-N 3 2 283.420 -1.275 20 0 CAADLP CN(CC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581610260 336112045 /nfs/dbraw/zinc/11/20/45/336112045.db2.gz GNRFEJRIZZUSIP-LBPRGKRZSA-N 2 2 298.387 -1.416 20 0 CAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000581724860 336137819 /nfs/dbraw/zinc/13/78/19/336137819.db2.gz DKCQNXLMJLLKJC-PHIMTYICSA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC(=O)N1 ZINC000386929887 336182462 /nfs/dbraw/zinc/18/24/62/336182462.db2.gz RDJOOTWZLAOQFE-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC(=O)N1 ZINC000386929887 336182464 /nfs/dbraw/zinc/18/24/64/336182464.db2.gz RDJOOTWZLAOQFE-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)O1 ZINC001205946754 782112219 /nfs/dbraw/zinc/11/22/19/782112219.db2.gz PXUJQZNPOURVNL-PZWNZHSQSA-N 2 2 290.360 -1.746 20 0 CAADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)O1 ZINC001205946754 782112227 /nfs/dbraw/zinc/11/22/27/782112227.db2.gz PXUJQZNPOURVNL-PZWNZHSQSA-N 2 2 290.360 -1.746 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001153487771 782116855 /nfs/dbraw/zinc/11/68/55/782116855.db2.gz NUZSZNTVKVCQCX-UHFFFAOYSA-N 2 2 295.343 -1.552 20 0 CAADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(N)=O)C2 ZINC001274062259 782132157 /nfs/dbraw/zinc/13/21/57/782132157.db2.gz NZUNGPVPEVTQMD-AWEZNQCLSA-N 2 2 298.387 -1.416 20 0 CAADLP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(N)=O)C2 ZINC001274062259 782132159 /nfs/dbraw/zinc/13/21/59/782132159.db2.gz NZUNGPVPEVTQMD-AWEZNQCLSA-N 2 2 298.387 -1.416 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001274499627 782148208 /nfs/dbraw/zinc/14/82/08/782148208.db2.gz WYUYSMZMOYRAFE-NSCUHMNNSA-N 2 2 265.317 -1.290 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566048 582270035 /nfs/dbraw/zinc/27/00/35/582270035.db2.gz SKYBTUAGZYWGNQ-PWSUYJOCSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566048 582270036 /nfs/dbraw/zinc/27/00/36/582270036.db2.gz SKYBTUAGZYWGNQ-PWSUYJOCSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566048 582270037 /nfs/dbraw/zinc/27/00/37/582270037.db2.gz SKYBTUAGZYWGNQ-PWSUYJOCSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566048 582270038 /nfs/dbraw/zinc/27/00/38/582270038.db2.gz SKYBTUAGZYWGNQ-PWSUYJOCSA-N 2 2 260.334 -1.091 20 0 CAADLP [NH3+]C[C@@H](O)CCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000717937497 782156186 /nfs/dbraw/zinc/15/61/86/782156186.db2.gz JVODBNQPNCITHC-LBPRGKRZSA-N 2 2 269.349 -1.138 20 0 CAADLP C[C@@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262416611 533752796 /nfs/dbraw/zinc/75/27/96/533752796.db2.gz RFMMXGQBEUPUQF-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262517387 533804884 /nfs/dbraw/zinc/80/48/84/533804884.db2.gz GYSLWADKSMGJFG-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423487999 533851436 /nfs/dbraw/zinc/85/14/36/533851436.db2.gz DBBVSKVKKULZNL-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419420134 533859149 /nfs/dbraw/zinc/85/91/49/533859149.db2.gz JXMFINRONFPBSP-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000165047044 533859614 /nfs/dbraw/zinc/85/96/14/533859614.db2.gz HXYRLCYJAZULAC-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000187706466 533907696 /nfs/dbraw/zinc/90/76/96/533907696.db2.gz XOKYDYQLGOBLJN-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000187706466 533907700 /nfs/dbraw/zinc/90/77/00/533907700.db2.gz XOKYDYQLGOBLJN-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP COC(=O)N1CC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000497266015 533908242 /nfs/dbraw/zinc/90/82/42/533908242.db2.gz QFHNCMIEGZPZPG-SNVBAGLBSA-N 2 2 285.348 -1.279 20 0 CAADLP COC(=O)N1CC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000497266015 533908252 /nfs/dbraw/zinc/90/82/52/533908252.db2.gz QFHNCMIEGZPZPG-SNVBAGLBSA-N 2 2 285.348 -1.279 20 0 CAADLP C[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000430938823 533908740 /nfs/dbraw/zinc/90/87/40/533908740.db2.gz JGPPWPLGRGDSLI-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000430938823 533908760 /nfs/dbraw/zinc/90/87/60/533908760.db2.gz JGPPWPLGRGDSLI-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000430938824 533910876 /nfs/dbraw/zinc/91/08/76/533910876.db2.gz JGPPWPLGRGDSLI-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000430938824 533910885 /nfs/dbraw/zinc/91/08/85/533910885.db2.gz JGPPWPLGRGDSLI-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC000333656774 533922221 /nfs/dbraw/zinc/92/22/21/533922221.db2.gz GAOFOMIQMFSXAA-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1 ZINC000333656774 533922229 /nfs/dbraw/zinc/92/22/29/533922229.db2.gz GAOFOMIQMFSXAA-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431012289 534013122 /nfs/dbraw/zinc/01/31/22/534013122.db2.gz ABFJCIIYIHKION-STQMWFEESA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431012288 534025103 /nfs/dbraw/zinc/02/51/03/534025103.db2.gz ABFJCIIYIHKION-QWHCGFSZSA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037008760 534065175 /nfs/dbraw/zinc/06/51/75/534065175.db2.gz HIXVZPMARZSVRH-OUAUKWLOSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217761172 534065277 /nfs/dbraw/zinc/06/52/77/534065277.db2.gz HIXVZPMARZSVRH-GMTAPVOTSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037008758 534065619 /nfs/dbraw/zinc/06/56/19/534065619.db2.gz HIXVZPMARZSVRH-VWYCJHECSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000434702345 534107460 /nfs/dbraw/zinc/10/74/60/534107460.db2.gz CAYWSTNLCPVPHQ-UWVGGRQHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000423624596 534286526 /nfs/dbraw/zinc/28/65/26/534286526.db2.gz DIEZDEXQOUZEAO-GHMZBOCLSA-N 2 2 268.361 -1.031 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C[NH2+]1 ZINC000237421765 534304307 /nfs/dbraw/zinc/30/43/07/534304307.db2.gz MGUBAWXAKXFRER-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367147985 534339000 /nfs/dbraw/zinc/33/90/00/534339000.db2.gz ISKGOMAZPAAOLU-ZDUSSCGKSA-N 2 2 282.388 -1.175 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367147985 534339008 /nfs/dbraw/zinc/33/90/08/534339008.db2.gz ISKGOMAZPAAOLU-ZDUSSCGKSA-N 2 2 282.388 -1.175 20 0 CAADLP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000488382169 534436506 /nfs/dbraw/zinc/43/65/06/534436506.db2.gz DIJBGYRLTSHNBN-MRVPVSSYSA-N 2 2 265.321 -1.490 20 0 CAADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1COCC[NH2+]1 ZINC000424185010 534602212 /nfs/dbraw/zinc/60/22/12/534602212.db2.gz ZBSHCKFXEWDOHN-NEPJUHHUSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1COCC[NH2+]1 ZINC000424185010 534602218 /nfs/dbraw/zinc/60/22/18/534602218.db2.gz ZBSHCKFXEWDOHN-NEPJUHHUSA-N 2 2 269.345 -1.046 20 0 CAADLP C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000151297796 522009549 /nfs/dbraw/zinc/00/95/49/522009549.db2.gz FZPUJVHXEIKKPL-LBPRGKRZSA-N 2 2 298.387 -1.497 20 0 CAADLP C[N@H+](CCNS(C)(=O)=O)C1CC[NH+](CCO)CC1 ZINC000337227168 522869766 /nfs/dbraw/zinc/86/97/66/522869766.db2.gz RQFFPOCRXWLPLZ-UHFFFAOYSA-N 2 2 279.406 -1.076 20 0 CAADLP C[N@@H+](CCNS(C)(=O)=O)C1CC[NH+](CCO)CC1 ZINC000337227168 522869774 /nfs/dbraw/zinc/86/97/74/522869774.db2.gz RQFFPOCRXWLPLZ-UHFFFAOYSA-N 2 2 279.406 -1.076 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000365093570 523848714 /nfs/dbraw/zinc/84/87/14/523848714.db2.gz TVLCSMQCDKWJIN-QJPTWQEYSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000365093570 523848715 /nfs/dbraw/zinc/84/87/15/523848715.db2.gz TVLCSMQCDKWJIN-QJPTWQEYSA-N 2 2 271.361 -1.112 20 0 CAADLP CN1CCO[C@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000357309614 523873850 /nfs/dbraw/zinc/87/38/50/523873850.db2.gz WBPYBJSROXYSGO-OLZOCXBDSA-N 2 2 282.388 -1.225 20 0 CAADLP CN1CCO[C@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC000357309614 523873854 /nfs/dbraw/zinc/87/38/54/523873854.db2.gz WBPYBJSROXYSGO-OLZOCXBDSA-N 2 2 282.388 -1.225 20 0 CAADLP Cn1cc[nH+]c1CNC(=O)CN1CC[NH2+]CC1=O ZINC000430896791 534787463 /nfs/dbraw/zinc/78/74/63/534787463.db2.gz LEUSJVANCKGEIL-UHFFFAOYSA-N 2 2 251.290 -1.532 20 0 CAADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000357307573 524533821 /nfs/dbraw/zinc/53/38/21/524533821.db2.gz UQLLHEBYJDZQIQ-NRUUGDAUSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043710870 524626272 /nfs/dbraw/zinc/62/62/72/524626272.db2.gz KQLCVQSCUFSVBP-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000165009510 526626628 /nfs/dbraw/zinc/62/66/28/526626628.db2.gz BFGIRPNNVZHGJD-LLVKDONJSA-N 2 2 286.401 -1.071 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000262141538 526627238 /nfs/dbraw/zinc/62/72/38/526627238.db2.gz XEWOLGNUBLMMLG-OLZOCXBDSA-N 2 2 298.387 -1.227 20 0 CAADLP CC(=O)NC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000261987620 526795863 /nfs/dbraw/zinc/79/58/63/526795863.db2.gz COHWZTXWIKFBGM-ZDUSSCGKSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(=O)NC[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000261987620 526795869 /nfs/dbraw/zinc/79/58/69/526795869.db2.gz COHWZTXWIKFBGM-ZDUSSCGKSA-N 2 2 298.387 -1.355 20 0 CAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000225525266 526906599 /nfs/dbraw/zinc/90/65/99/526906599.db2.gz IRVDPOKSJPMXHD-ZJUUUORDSA-N 2 2 254.334 -1.114 20 0 CAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000225525266 526906608 /nfs/dbraw/zinc/90/66/08/526906608.db2.gz IRVDPOKSJPMXHD-ZJUUUORDSA-N 2 2 254.334 -1.114 20 0 CAADLP CC(C)(C[NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063656 527067675 /nfs/dbraw/zinc/06/76/75/527067675.db2.gz GFPZIVLRGXZGOP-UHFFFAOYSA-N 2 2 286.376 -1.464 20 0 CAADLP CC(C)(CNC(=O)C[NH2+]C1(C(N)=O)CC1)[NH+]1CCOCC1 ZINC000353379527 527107823 /nfs/dbraw/zinc/10/78/23/527107823.db2.gz YAEOUYKDYHMHTC-UHFFFAOYSA-N 2 2 298.387 -1.179 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430800335 527542717 /nfs/dbraw/zinc/54/27/17/527542717.db2.gz QUVIFUCZOUNOPC-UHFFFAOYSA-N 2 2 284.360 -1.617 20 0 CAADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000333273830 527898587 /nfs/dbraw/zinc/89/85/87/527898587.db2.gz HPXWFLIDOBETEE-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000333273830 527898594 /nfs/dbraw/zinc/89/85/94/527898594.db2.gz HPXWFLIDOBETEE-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CCC[N@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000429173835 527942296 /nfs/dbraw/zinc/94/22/96/527942296.db2.gz CFAIGWKVNNCXPF-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP CCC[N@@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000429173835 527942301 /nfs/dbraw/zinc/94/23/01/527942301.db2.gz CFAIGWKVNNCXPF-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125241863 527958818 /nfs/dbraw/zinc/95/88/18/527958818.db2.gz VTSRMBHYJPGGNB-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C)CC1 ZINC000440567764 528086013 /nfs/dbraw/zinc/08/60/13/528086013.db2.gz VRNUISRPIIQYCV-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C)CC1 ZINC000440567764 528086019 /nfs/dbraw/zinc/08/60/19/528086019.db2.gz VRNUISRPIIQYCV-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424170502 528087378 /nfs/dbraw/zinc/08/73/78/528087378.db2.gz BDTJQAYNIAMGHV-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424170502 528087383 /nfs/dbraw/zinc/08/73/83/528087383.db2.gz BDTJQAYNIAMGHV-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000419894406 528294788 /nfs/dbraw/zinc/29/47/88/528294788.db2.gz RAXIROFQSKHZOB-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000419884945 528294889 /nfs/dbraw/zinc/29/48/89/528294889.db2.gz GOJLBPKKVDNVJC-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420013583 528732726 /nfs/dbraw/zinc/73/27/26/528732726.db2.gz LRCBNYDUGPMKCF-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000164468248 528746425 /nfs/dbraw/zinc/74/64/25/528746425.db2.gz FKTSAGYXYNMRGO-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP CC(C)[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000167208973 528818680 /nfs/dbraw/zinc/81/86/80/528818680.db2.gz KUDDVDNJZKPBCV-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP CC(C)[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000167208973 528818681 /nfs/dbraw/zinc/81/86/81/528818681.db2.gz KUDDVDNJZKPBCV-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP CCC[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431066401 528963952 /nfs/dbraw/zinc/96/39/52/528963952.db2.gz SUAFCGZJQDBZKM-LLVKDONJSA-N 2 2 286.376 -1.322 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000149279648 529037787 /nfs/dbraw/zinc/03/77/87/529037787.db2.gz NAVBNXYXRYNWDB-LBPRGKRZSA-N 2 2 286.376 -1.466 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000422973604 529115978 /nfs/dbraw/zinc/11/59/78/529115978.db2.gz CGGDGPGOAGAOCU-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CC1(C)C[N@H+](CCNC(=O)CNC(=O)C[NH3+])CCO1 ZINC000347662628 529117644 /nfs/dbraw/zinc/11/76/44/529117644.db2.gz ZTDABGKKCCRYIL-UHFFFAOYSA-N 2 2 272.349 -1.712 20 0 CAADLP CC1(C)C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])CCO1 ZINC000347662628 529117648 /nfs/dbraw/zinc/11/76/48/529117648.db2.gz ZTDABGKKCCRYIL-UHFFFAOYSA-N 2 2 272.349 -1.712 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000422979761 529117945 /nfs/dbraw/zinc/11/79/45/529117945.db2.gz NSSVTUJDJYKHBF-SNVBAGLBSA-N 2 2 254.334 -1.290 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000422979760 529119107 /nfs/dbraw/zinc/11/91/07/529119107.db2.gz NSSVTUJDJYKHBF-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419961888 529121227 /nfs/dbraw/zinc/12/12/27/529121227.db2.gz UNGDNONGZCQRET-SNVBAGLBSA-N 2 2 256.350 -1.139 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419875688 529121975 /nfs/dbraw/zinc/12/19/75/529121975.db2.gz WWVWLUPOWGWHCQ-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP CC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000163370063 529124787 /nfs/dbraw/zinc/12/47/87/529124787.db2.gz LVGBONBIOZRWDK-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186492344 529130386 /nfs/dbraw/zinc/13/03/86/529130386.db2.gz DFYMYVXXNCXMJT-AGIUHOORSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186492344 529130388 /nfs/dbraw/zinc/13/03/88/529130388.db2.gz DFYMYVXXNCXMJT-AGIUHOORSA-N 2 2 285.388 -1.034 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430881936 529131256 /nfs/dbraw/zinc/13/12/56/529131256.db2.gz GAERCTIGASHTRT-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430881936 529131259 /nfs/dbraw/zinc/13/12/59/529131259.db2.gz GAERCTIGASHTRT-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@@H+]1CCOC ZINC000353702959 529278080 /nfs/dbraw/zinc/27/80/80/529278080.db2.gz KPXISBKFSZVIEE-QWRGUYRKSA-N 2 2 286.376 -1.242 20 0 CAADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@H+]1CCOC ZINC000353702959 529278086 /nfs/dbraw/zinc/27/80/86/529278086.db2.gz KPXISBKFSZVIEE-QWRGUYRKSA-N 2 2 286.376 -1.242 20 0 CAADLP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394384412 545498383 /nfs/dbraw/zinc/49/83/83/545498383.db2.gz JFEZCQBGOIUGMG-STQMWFEESA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394384412 545498386 /nfs/dbraw/zinc/49/83/86/545498386.db2.gz JFEZCQBGOIUGMG-STQMWFEESA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394384411 545498434 /nfs/dbraw/zinc/49/84/34/545498434.db2.gz JFEZCQBGOIUGMG-QWHCGFSZSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394384411 545498436 /nfs/dbraw/zinc/49/84/36/545498436.db2.gz JFEZCQBGOIUGMG-QWHCGFSZSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394391813 545498678 /nfs/dbraw/zinc/49/86/78/545498678.db2.gz MBUNFQDMCVQUFD-QWHCGFSZSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394391813 545498680 /nfs/dbraw/zinc/49/86/80/545498680.db2.gz MBUNFQDMCVQUFD-QWHCGFSZSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)N1CC[NH2+]CC1 ZINC000655413323 545504304 /nfs/dbraw/zinc/50/43/04/545504304.db2.gz UJXMKZFJZMTVCP-LLVKDONJSA-N 2 2 291.355 -1.007 20 0 CAADLP Cc1nn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)n1C ZINC000655418880 545505058 /nfs/dbraw/zinc/50/50/58/545505058.db2.gz FTUKTGISIJYJOJ-SNVBAGLBSA-N 2 2 282.348 -2.008 20 0 CAADLP Cc1nn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(=O)n1C ZINC000655418880 545505061 /nfs/dbraw/zinc/50/50/61/545505061.db2.gz FTUKTGISIJYJOJ-SNVBAGLBSA-N 2 2 282.348 -2.008 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCC1CC[NH2+]CC1 ZINC000653267762 545507476 /nfs/dbraw/zinc/50/74/76/545507476.db2.gz VYAMDBGEQBARSX-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1 ZINC000076407823 545530659 /nfs/dbraw/zinc/53/06/59/545530659.db2.gz XNZKAHIJKMLPCF-UHFFFAOYSA-N 2 2 270.377 -1.318 20 0 CAADLP O=C(N[C@H]1CC[NH2+]C1)N(CCO)CC[NH+]1CCOCC1 ZINC000659567963 545533002 /nfs/dbraw/zinc/53/30/02/545533002.db2.gz MMAJWOREHGQGHW-LBPRGKRZSA-N 2 2 286.376 -1.316 20 0 CAADLP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000669514526 545535315 /nfs/dbraw/zinc/53/53/15/545535315.db2.gz KXXNRJCXOIWYDV-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O ZINC000352792187 545537222 /nfs/dbraw/zinc/53/72/22/545537222.db2.gz LFDXMQCTWJRKMZ-LPWJVIDDSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@H]1O ZINC000352792187 545537229 /nfs/dbraw/zinc/53/72/29/545537229.db2.gz LFDXMQCTWJRKMZ-LPWJVIDDSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792187 545537231 /nfs/dbraw/zinc/53/72/31/545537231.db2.gz LFDXMQCTWJRKMZ-LPWJVIDDSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792187 545537235 /nfs/dbraw/zinc/53/72/35/545537235.db2.gz LFDXMQCTWJRKMZ-LPWJVIDDSA-N 2 2 274.361 -1.241 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889781 545539448 /nfs/dbraw/zinc/53/94/48/545539448.db2.gz DERXJWSIXUPYRI-NEPJUHHUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889781 545539452 /nfs/dbraw/zinc/53/94/52/545539452.db2.gz DERXJWSIXUPYRI-NEPJUHHUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889781 545539456 /nfs/dbraw/zinc/53/94/56/545539456.db2.gz DERXJWSIXUPYRI-NEPJUHHUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889781 545539462 /nfs/dbraw/zinc/53/94/62/545539462.db2.gz DERXJWSIXUPYRI-NEPJUHHUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000194889006 545544753 /nfs/dbraw/zinc/54/47/53/545544753.db2.gz MXUSZFZKTQUBKI-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000091669448 545548623 /nfs/dbraw/zinc/54/86/23/545548623.db2.gz QNFMGPOJZUONDI-NSHDSACASA-N 2 2 256.350 -1.662 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000091669448 545548628 /nfs/dbraw/zinc/54/86/28/545548628.db2.gz QNFMGPOJZUONDI-NSHDSACASA-N 2 2 256.350 -1.662 20 0 CAADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000163315576 545561533 /nfs/dbraw/zinc/56/15/33/545561533.db2.gz CORPHGPWAGSILS-ZJUUUORDSA-N 2 2 270.333 -2.007 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649498422 545563891 /nfs/dbraw/zinc/56/38/91/545563891.db2.gz KHXDOBAEDNCWBF-CYBMUJFWSA-N 2 2 298.387 -1.221 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649498422 545563896 /nfs/dbraw/zinc/56/38/96/545563896.db2.gz KHXDOBAEDNCWBF-CYBMUJFWSA-N 2 2 298.387 -1.221 20 0 CAADLP CN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000564739956 545566267 /nfs/dbraw/zinc/56/62/67/545566267.db2.gz MNJRFZXZVJTXJV-BBBLOLIVSA-N 2 2 252.318 -1.539 20 0 CAADLP CN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000564739956 545566272 /nfs/dbraw/zinc/56/62/72/545566272.db2.gz MNJRFZXZVJTXJV-BBBLOLIVSA-N 2 2 252.318 -1.539 20 0 CAADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000386474014 545567054 /nfs/dbraw/zinc/56/70/54/545567054.db2.gz VCMOMMUTOYWXLH-ZYHUDNBSSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000386474014 545567057 /nfs/dbraw/zinc/56/70/57/545567057.db2.gz VCMOMMUTOYWXLH-ZYHUDNBSSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000386474014 545567065 /nfs/dbraw/zinc/56/70/65/545567065.db2.gz VCMOMMUTOYWXLH-ZYHUDNBSSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000386474014 545567070 /nfs/dbraw/zinc/56/70/70/545567070.db2.gz VCMOMMUTOYWXLH-ZYHUDNBSSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000386473999 545567638 /nfs/dbraw/zinc/56/76/38/545567638.db2.gz VCMOMMUTOYWXLH-CMPLNLGQSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(N)=O)C1 ZINC000386473999 545567642 /nfs/dbraw/zinc/56/76/42/545567642.db2.gz VCMOMMUTOYWXLH-CMPLNLGQSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000386473999 545567644 /nfs/dbraw/zinc/56/76/44/545567644.db2.gz VCMOMMUTOYWXLH-CMPLNLGQSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000386473999 545567646 /nfs/dbraw/zinc/56/76/46/545567646.db2.gz VCMOMMUTOYWXLH-CMPLNLGQSA-N 2 2 259.350 -1.390 20 0 CAADLP COCC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000165856691 545570448 /nfs/dbraw/zinc/57/04/48/545570448.db2.gz ZMHVRKLGAWDPEL-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408678 545571444 /nfs/dbraw/zinc/57/14/44/545571444.db2.gz UOBFDTFXIJBKHA-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408678 545571450 /nfs/dbraw/zinc/57/14/50/545571450.db2.gz UOBFDTFXIJBKHA-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000670408678 545571454 /nfs/dbraw/zinc/57/14/54/545571454.db2.gz UOBFDTFXIJBKHA-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670408678 545571457 /nfs/dbraw/zinc/57/14/57/545571457.db2.gz UOBFDTFXIJBKHA-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674464719 545572596 /nfs/dbraw/zinc/57/25/96/545572596.db2.gz DONCXEXLYLEVOE-RWMBFGLXSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674464719 545572600 /nfs/dbraw/zinc/57/26/00/545572600.db2.gz DONCXEXLYLEVOE-RWMBFGLXSA-N 2 2 285.388 -1.034 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000162652093 545560175 /nfs/dbraw/zinc/56/01/75/545560175.db2.gz CUEGGUVAZKVDPY-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@H+]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000162652093 545560177 /nfs/dbraw/zinc/56/01/77/545560177.db2.gz CUEGGUVAZKVDPY-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP [NH3+]CC(=O)NCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703482 545577512 /nfs/dbraw/zinc/57/75/12/545577512.db2.gz KLKKSUPSDHVCGB-UHFFFAOYSA-N 2 2 298.387 -1.368 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)CCO1 ZINC000662702287 545578180 /nfs/dbraw/zinc/57/81/80/545578180.db2.gz XUHCZINJDOUXMV-JTQLQIEISA-N 2 2 282.348 -1.313 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)CCO1 ZINC000662702287 545578184 /nfs/dbraw/zinc/57/81/84/545578184.db2.gz XUHCZINJDOUXMV-JTQLQIEISA-N 2 2 282.348 -1.313 20 0 CAADLP C[C@H]([C@H](C)NC(=O)C1(O)C[NH2+]C1)[NH+]1CCOCC1 ZINC000662721376 545578685 /nfs/dbraw/zinc/57/86/85/545578685.db2.gz VLMBPPWTXBFMEA-VHSXEESVSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000662721366 545578724 /nfs/dbraw/zinc/57/87/24/545578724.db2.gz VLMBPPWTXBFMEA-NXEZZACHSA-N 2 2 257.334 -1.454 20 0 CAADLP [NH3+][C@H]1C[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000662696610 545578731 /nfs/dbraw/zinc/57/87/31/545578731.db2.gz PARWGSAOGYGBQR-XYPYZODXSA-N 2 2 284.360 -1.712 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000662735254 545579377 /nfs/dbraw/zinc/57/93/77/545579377.db2.gz MPUVEFQCEXARMV-NSHDSACASA-N 3 2 282.388 -1.395 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000662735254 545579381 /nfs/dbraw/zinc/57/93/81/545579381.db2.gz MPUVEFQCEXARMV-NSHDSACASA-N 3 2 282.388 -1.395 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000662735228 545580040 /nfs/dbraw/zinc/58/00/40/545580040.db2.gz MPUVEFQCEXARMV-LLVKDONJSA-N 3 2 282.388 -1.395 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000662735228 545580043 /nfs/dbraw/zinc/58/00/43/545580043.db2.gz MPUVEFQCEXARMV-LLVKDONJSA-N 3 2 282.388 -1.395 20 0 CAADLP CN(C(=O)C1(O)C[NH2+]C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901218 545580140 /nfs/dbraw/zinc/58/01/40/545580140.db2.gz UPVPLHMCWWIRDT-CYBMUJFWSA-N 3 2 296.415 -1.052 20 0 CAADLP CN(C(=O)C1(O)C[NH2+]C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901218 545580145 /nfs/dbraw/zinc/58/01/45/545580145.db2.gz UPVPLHMCWWIRDT-CYBMUJFWSA-N 3 2 296.415 -1.052 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662923154 545580885 /nfs/dbraw/zinc/58/08/85/545580885.db2.gz XXXQZFCXMUALDN-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP CN(CCC[NH3+])C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000662929089 545582564 /nfs/dbraw/zinc/58/25/64/545582564.db2.gz XYSYYQGJXXFEIL-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(N)=O ZINC001275505325 782173871 /nfs/dbraw/zinc/17/38/71/782173871.db2.gz WPEWVTGGFPNPKY-JGVFFNPUSA-N 2 2 253.306 -1.080 20 0 CAADLP [NH3+]CC12CCC(CC1)N2C(=O)CN1CC[NH2+]CC1=O ZINC000877192777 582113118 /nfs/dbraw/zinc/11/31/18/582113118.db2.gz QQRVKEMGLPLYCD-UHFFFAOYSA-N 2 2 266.345 -1.100 20 0 CAADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCS(N)(=O)=O ZINC000880085071 582114151 /nfs/dbraw/zinc/11/41/51/582114151.db2.gz YEDQQZRUZILQQO-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCS(N)(=O)=O ZINC000880085071 582114152 /nfs/dbraw/zinc/11/41/52/582114152.db2.gz YEDQQZRUZILQQO-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](CCO)CC1 ZINC000895585134 582115587 /nfs/dbraw/zinc/11/55/87/582115587.db2.gz ICCKWWHOAXSHFQ-CYBMUJFWSA-N 2 2 283.372 -1.156 20 0 CAADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](CCO)CC1 ZINC000895585140 582115643 /nfs/dbraw/zinc/11/56/43/582115643.db2.gz ICCKWWHOAXSHFQ-ZDUSSCGKSA-N 2 2 283.372 -1.156 20 0 CAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897145743 582116569 /nfs/dbraw/zinc/11/65/69/582116569.db2.gz JXPNTLNIUXAGHV-ZIAGYGMSSA-N 2 2 294.399 -1.177 20 0 CAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897145740 582116595 /nfs/dbraw/zinc/11/65/95/582116595.db2.gz JXPNTLNIUXAGHV-KBPBESRZSA-N 2 2 294.399 -1.177 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058565 582120355 /nfs/dbraw/zinc/12/03/55/582120355.db2.gz RZOZJFRTRYHKBY-LBPRGKRZSA-N 2 2 299.371 -1.118 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058565 582120356 /nfs/dbraw/zinc/12/03/56/582120356.db2.gz RZOZJFRTRYHKBY-LBPRGKRZSA-N 2 2 299.371 -1.118 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899058565 582120357 /nfs/dbraw/zinc/12/03/57/582120357.db2.gz RZOZJFRTRYHKBY-LBPRGKRZSA-N 2 2 299.371 -1.118 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899058565 582120359 /nfs/dbraw/zinc/12/03/59/582120359.db2.gz RZOZJFRTRYHKBY-LBPRGKRZSA-N 2 2 299.371 -1.118 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH+](C)CCO ZINC000899729311 582122035 /nfs/dbraw/zinc/12/20/35/582122035.db2.gz DOPBBAPNMJGMML-UHFFFAOYSA-N 2 2 288.392 -1.517 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH+](C)CCO ZINC000899729311 582122036 /nfs/dbraw/zinc/12/20/36/582122036.db2.gz DOPBBAPNMJGMML-UHFFFAOYSA-N 2 2 288.392 -1.517 20 0 CAADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@H+](C)CCO ZINC000899729311 582122037 /nfs/dbraw/zinc/12/20/37/582122037.db2.gz DOPBBAPNMJGMML-UHFFFAOYSA-N 2 2 288.392 -1.517 20 0 CAADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@@H+](C)CCO ZINC000899729311 582122038 /nfs/dbraw/zinc/12/20/38/582122038.db2.gz DOPBBAPNMJGMML-UHFFFAOYSA-N 2 2 288.392 -1.517 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877035210 582123387 /nfs/dbraw/zinc/12/33/87/582123387.db2.gz VJKVNXVWBJPRJH-RKDXNWHRSA-N 2 2 256.306 -1.463 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877035210 582123389 /nfs/dbraw/zinc/12/33/89/582123389.db2.gz VJKVNXVWBJPRJH-RKDXNWHRSA-N 2 2 256.306 -1.463 20 0 CAADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000884348415 582126606 /nfs/dbraw/zinc/12/66/06/582126606.db2.gz YPZJXCGPCIHDJZ-BDAKNGLRSA-N 2 2 254.334 -1.340 20 0 CAADLP NS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741809005 582140660 /nfs/dbraw/zinc/14/06/60/582140660.db2.gz NWBDKXNZNPUWCQ-LLVKDONJSA-N 2 2 277.390 -1.071 20 0 CAADLP NS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741809005 582140662 /nfs/dbraw/zinc/14/06/62/582140662.db2.gz NWBDKXNZNPUWCQ-LLVKDONJSA-N 2 2 277.390 -1.071 20 0 CAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000742266536 582140706 /nfs/dbraw/zinc/14/07/06/582140706.db2.gz LGXYJPHVQGQBSP-LLVKDONJSA-N 2 2 296.371 -1.113 20 0 CAADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000742266536 582140707 /nfs/dbraw/zinc/14/07/07/582140707.db2.gz LGXYJPHVQGQBSP-LLVKDONJSA-N 2 2 296.371 -1.113 20 0 CAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCCNC(=O)C2)C1=O ZINC000742266537 582140713 /nfs/dbraw/zinc/14/07/13/582140713.db2.gz LGXYJPHVQGQBSP-NSHDSACASA-N 2 2 296.371 -1.113 20 0 CAADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCCNC(=O)C2)C1=O ZINC000742266537 582140714 /nfs/dbraw/zinc/14/07/14/582140714.db2.gz LGXYJPHVQGQBSP-NSHDSACASA-N 2 2 296.371 -1.113 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000746219399 582141409 /nfs/dbraw/zinc/14/14/09/582141409.db2.gz QOFOYWHTRCWUNB-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000746219399 582141410 /nfs/dbraw/zinc/14/14/10/582141410.db2.gz QOFOYWHTRCWUNB-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000746219399 582141411 /nfs/dbraw/zinc/14/14/11/582141411.db2.gz QOFOYWHTRCWUNB-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000746219399 582141412 /nfs/dbraw/zinc/14/14/12/582141412.db2.gz QOFOYWHTRCWUNB-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000755138709 582144935 /nfs/dbraw/zinc/14/49/35/582144935.db2.gz HYZUVMGEYHLLFQ-UHFFFAOYSA-N 2 2 271.361 -1.155 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010173 582178661 /nfs/dbraw/zinc/17/86/61/582178661.db2.gz DXRDTXMAARGBCH-NEPJUHHUSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010173 582178662 /nfs/dbraw/zinc/17/86/62/582178662.db2.gz DXRDTXMAARGBCH-NEPJUHHUSA-N 2 2 271.361 -1.253 20 0 CAADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC000827578174 582193133 /nfs/dbraw/zinc/19/31/33/582193133.db2.gz SQRLWPGKHDSVOX-IBUXWKBASA-N 2 2 280.328 -1.100 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827935837 582193618 /nfs/dbraw/zinc/19/36/18/582193618.db2.gz BHGDHCKHTYBBQH-NWDGAFQWSA-N 2 2 296.371 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827935837 582193619 /nfs/dbraw/zinc/19/36/19/582193619.db2.gz BHGDHCKHTYBBQH-NWDGAFQWSA-N 2 2 296.371 -1.602 20 0 CAADLP CC1(C(N)=O)C[NH+](CCC[NH+]2CC(C)(C(N)=O)C2)C1 ZINC000829070537 582196486 /nfs/dbraw/zinc/19/64/86/582196486.db2.gz VNDKDRIOYLLIGQ-UHFFFAOYSA-N 2 2 268.361 -1.009 20 0 CAADLP [NH3+][C@@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000831876130 582203717 /nfs/dbraw/zinc/20/37/17/582203717.db2.gz LMFXZGRVNRXNAW-LBPRGKRZSA-N 2 2 298.387 -1.322 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C[NH3+])C1 ZINC000843357907 582214286 /nfs/dbraw/zinc/21/42/86/582214286.db2.gz TVFYTMNCHNDSDK-SNVBAGLBSA-N 2 2 295.343 -1.972 20 0 CAADLP C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C[NH3+])C1 ZINC000843357907 582214287 /nfs/dbraw/zinc/21/42/87/582214287.db2.gz TVFYTMNCHNDSDK-SNVBAGLBSA-N 2 2 295.343 -1.972 20 0 CAADLP CC[NH2+]CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000844186750 582216266 /nfs/dbraw/zinc/21/62/66/582216266.db2.gz SFVCIPXMSPMVLK-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[NH2+]CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000844186751 582216316 /nfs/dbraw/zinc/21/63/16/582216316.db2.gz SFVCIPXMSPMVLK-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP COC(=O)[C@H]1COCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846678357 582222970 /nfs/dbraw/zinc/22/29/70/582222970.db2.gz ZWKCALBLOAWMNX-NXEZZACHSA-N 2 2 273.333 -1.334 20 0 CAADLP COC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846678359 582222981 /nfs/dbraw/zinc/22/29/81/582222981.db2.gz ZWKCALBLOAWMNX-VHSXEESVSA-N 2 2 273.333 -1.334 20 0 CAADLP CCONC(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849048112 582227376 /nfs/dbraw/zinc/22/73/76/582227376.db2.gz CXBMOCGJUPPNOZ-UHFFFAOYSA-N 2 2 287.364 -1.110 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852800027 582230619 /nfs/dbraw/zinc/23/06/19/582230619.db2.gz YLOWLKZWJKVIDD-BDAKNGLRSA-N 3 2 255.322 -1.809 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC000852800035 582230768 /nfs/dbraw/zinc/23/07/68/582230768.db2.gz YLOWLKZWJKVIDD-IUCAKERBSA-N 3 2 255.322 -1.809 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC000852800035 582230770 /nfs/dbraw/zinc/23/07/70/582230770.db2.gz YLOWLKZWJKVIDD-IUCAKERBSA-N 3 2 255.322 -1.809 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC000852800033 582230794 /nfs/dbraw/zinc/23/07/94/582230794.db2.gz YLOWLKZWJKVIDD-DTWKUNHWSA-N 3 2 255.322 -1.809 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC000852800033 582230796 /nfs/dbraw/zinc/23/07/96/582230796.db2.gz YLOWLKZWJKVIDD-DTWKUNHWSA-N 3 2 255.322 -1.809 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852800038 582230821 /nfs/dbraw/zinc/23/08/21/582230821.db2.gz YLOWLKZWJKVIDD-RKDXNWHRSA-N 3 2 255.322 -1.809 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852800038 582230823 /nfs/dbraw/zinc/23/08/23/582230823.db2.gz YLOWLKZWJKVIDD-RKDXNWHRSA-N 3 2 255.322 -1.809 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858505 582231399 /nfs/dbraw/zinc/23/13/99/582231399.db2.gz BOFKGVQAZJZMLO-NXEZZACHSA-N 2 2 270.333 -1.073 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858976 582231478 /nfs/dbraw/zinc/23/14/78/582231478.db2.gz KAUNFRJQBCYXFX-LLVKDONJSA-N 2 2 297.359 -1.630 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852863727 582231560 /nfs/dbraw/zinc/23/15/60/582231560.db2.gz RLBZNEQHJFPSSL-UWVGGRQHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852863727 582231561 /nfs/dbraw/zinc/23/15/61/582231561.db2.gz RLBZNEQHJFPSSL-UWVGGRQHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865806 582231575 /nfs/dbraw/zinc/23/15/75/582231575.db2.gz POFBKYZYLAMREX-UWVGGRQHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865806 582231576 /nfs/dbraw/zinc/23/15/76/582231576.db2.gz POFBKYZYLAMREX-UWVGGRQHSA-N 2 2 270.333 -1.073 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858977 582231621 /nfs/dbraw/zinc/23/16/21/582231621.db2.gz KAUNFRJQBCYXFX-NSHDSACASA-N 2 2 297.359 -1.630 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)O1 ZINC000856995852 582238531 /nfs/dbraw/zinc/23/85/31/582238531.db2.gz MWLXSHHSDOJCDU-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)O1 ZINC000856995852 582238532 /nfs/dbraw/zinc/23/85/32/582238532.db2.gz MWLXSHHSDOJCDU-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)O1 ZINC000856995852 582238534 /nfs/dbraw/zinc/23/85/34/582238534.db2.gz MWLXSHHSDOJCDU-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)O1 ZINC000856995852 582238536 /nfs/dbraw/zinc/23/85/36/582238536.db2.gz MWLXSHHSDOJCDU-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+]1CCN(C(=O)CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000858388468 582239916 /nfs/dbraw/zinc/23/99/16/582239916.db2.gz DHJWTGXCQLAIQH-UHFFFAOYSA-N 2 2 266.309 -1.778 20 0 CAADLP C[NH+]1CCN(C(=O)CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000858388468 582239918 /nfs/dbraw/zinc/23/99/18/582239918.db2.gz DHJWTGXCQLAIQH-UHFFFAOYSA-N 2 2 266.309 -1.778 20 0 CAADLP CON(C)C(=O)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000861698593 582244589 /nfs/dbraw/zinc/24/45/89/582244589.db2.gz CLGAGHRMPMGVOQ-ZJUUUORDSA-N 2 2 287.364 -1.321 20 0 CAADLP CON(C)C(=O)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000861698593 582244590 /nfs/dbraw/zinc/24/45/90/582244590.db2.gz CLGAGHRMPMGVOQ-ZJUUUORDSA-N 2 2 287.364 -1.321 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000861733010 582244694 /nfs/dbraw/zinc/24/46/94/582244694.db2.gz QOORTNONUOXIGT-VIFPVBQESA-N 2 2 253.306 -1.195 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000861756616 582244958 /nfs/dbraw/zinc/24/49/58/582244958.db2.gz DSDAHCLNYOGMSH-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000861756618 582245063 /nfs/dbraw/zinc/24/50/63/582245063.db2.gz DSDAHCLNYOGMSH-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000861756617 582245094 /nfs/dbraw/zinc/24/50/94/582245094.db2.gz DSDAHCLNYOGMSH-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP NC(=O)C1=NO[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863555160 582249167 /nfs/dbraw/zinc/24/91/67/582249167.db2.gz OLXAGPFPXQTINP-VHSXEESVSA-N 2 2 270.333 -1.337 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000863583349 582249173 /nfs/dbraw/zinc/24/91/73/582249173.db2.gz UKJDWGRSCHPHEU-MXWKQRLJSA-N 2 2 257.334 -1.515 20 0 CAADLP CCNS(=O)(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863552139 582249176 /nfs/dbraw/zinc/24/91/76/582249176.db2.gz KCXMDEMQQZMMKG-LLVKDONJSA-N 2 2 279.406 -1.028 20 0 CAADLP CCNS(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863552140 582249196 /nfs/dbraw/zinc/24/91/96/582249196.db2.gz KCXMDEMQQZMMKG-NSHDSACASA-N 2 2 279.406 -1.028 20 0 CAADLP NC(=O)C1=NO[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863555159 582249210 /nfs/dbraw/zinc/24/92/10/582249210.db2.gz OLXAGPFPXQTINP-UWVGGRQHSA-N 2 2 270.333 -1.337 20 0 CAADLP NC(=O)C1=NO[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863555158 582249214 /nfs/dbraw/zinc/24/92/14/582249214.db2.gz OLXAGPFPXQTINP-NXEZZACHSA-N 2 2 270.333 -1.337 20 0 CAADLP NC(=O)C1=NO[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863555161 582249218 /nfs/dbraw/zinc/24/92/18/582249218.db2.gz OLXAGPFPXQTINP-ZJUUUORDSA-N 2 2 270.333 -1.337 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000863583463 582249226 /nfs/dbraw/zinc/24/92/26/582249226.db2.gz XQEPBIVUSRPIPU-AAEUAGOBSA-N 2 2 289.351 -1.161 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000863583466 582249328 /nfs/dbraw/zinc/24/93/28/582249328.db2.gz XQEPBIVUSRPIPU-YPMHNXCESA-N 2 2 289.351 -1.161 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863752939 582249791 /nfs/dbraw/zinc/24/97/91/582249791.db2.gz JADKINPYVQROFZ-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863752938 582249796 /nfs/dbraw/zinc/24/97/96/582249796.db2.gz JADKINPYVQROFZ-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000864079003 582251515 /nfs/dbraw/zinc/25/15/15/582251515.db2.gz SKKWUAYDOHBWEE-LOWVWBTDSA-N 2 2 271.361 -1.424 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000864079003 582251516 /nfs/dbraw/zinc/25/15/16/582251516.db2.gz SKKWUAYDOHBWEE-LOWVWBTDSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864079003 582251517 /nfs/dbraw/zinc/25/15/17/582251517.db2.gz SKKWUAYDOHBWEE-LOWVWBTDSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864079003 582251518 /nfs/dbraw/zinc/25/15/18/582251518.db2.gz SKKWUAYDOHBWEE-LOWVWBTDSA-N 2 2 271.361 -1.424 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000864079002 582251664 /nfs/dbraw/zinc/25/16/64/582251664.db2.gz SKKWUAYDOHBWEE-GVXVVHGQSA-N 2 2 271.361 -1.424 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000864079002 582251666 /nfs/dbraw/zinc/25/16/66/582251666.db2.gz SKKWUAYDOHBWEE-GVXVVHGQSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864079002 582251668 /nfs/dbraw/zinc/25/16/68/582251668.db2.gz SKKWUAYDOHBWEE-GVXVVHGQSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864079002 582251669 /nfs/dbraw/zinc/25/16/69/582251669.db2.gz SKKWUAYDOHBWEE-GVXVVHGQSA-N 2 2 271.361 -1.424 20 0 CAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000866764074 582254107 /nfs/dbraw/zinc/25/41/07/582254107.db2.gz KVHXKTPWTNTQNI-BDAKNGLRSA-N 2 2 299.343 -1.157 20 0 CAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000866764076 582254174 /nfs/dbraw/zinc/25/41/74/582254174.db2.gz KVHXKTPWTNTQNI-DTWKUNHWSA-N 2 2 299.343 -1.157 20 0 CAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000866770460 582254327 /nfs/dbraw/zinc/25/43/27/582254327.db2.gz ZHDWWPXTZNIRGW-RKDXNWHRSA-N 2 2 299.343 -1.109 20 0 CAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000866770459 582254392 /nfs/dbraw/zinc/25/43/92/582254392.db2.gz ZHDWWPXTZNIRGW-IUCAKERBSA-N 2 2 299.343 -1.109 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000867548113 582254550 /nfs/dbraw/zinc/25/45/50/582254550.db2.gz AGPBOCRMEMEHNY-KOLCDFICSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000867548113 582254551 /nfs/dbraw/zinc/25/45/51/582254551.db2.gz AGPBOCRMEMEHNY-KOLCDFICSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000868005677 582255599 /nfs/dbraw/zinc/25/55/99/582255599.db2.gz UAGMYEKLPFVVJS-SNVBAGLBSA-N 2 2 268.361 -1.078 20 0 CAADLP COCCC1(NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]CC1 ZINC000868041653 582255866 /nfs/dbraw/zinc/25/58/66/582255866.db2.gz BIYKCWLFKJTRRI-UHFFFAOYSA-N 2 2 298.387 -1.307 20 0 CAADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000870981325 582257768 /nfs/dbraw/zinc/25/77/68/582257768.db2.gz IKBFWXFREGJNMC-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000870981325 582257769 /nfs/dbraw/zinc/25/77/69/582257769.db2.gz IKBFWXFREGJNMC-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP O=C(CNC(=O)C[NH+]1CCCC1)NCC[NH+]1CCOCC1 ZINC000874457512 582260133 /nfs/dbraw/zinc/26/01/33/582260133.db2.gz UIRHAVUZBNIZRD-UHFFFAOYSA-N 2 2 298.387 -1.353 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCOC2=O)[C@H](C[NH3+])C1 ZINC000876542746 582262618 /nfs/dbraw/zinc/26/26/18/582262618.db2.gz SNLMHSFOXUXDKT-SECBINFHSA-N 2 2 256.306 -1.460 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCOC2=O)[C@H](C[NH3+])C1 ZINC000876542746 582262619 /nfs/dbraw/zinc/26/26/19/582262619.db2.gz SNLMHSFOXUXDKT-SECBINFHSA-N 2 2 256.306 -1.460 20 0 CAADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H](N)C[NH+](C)C)CC2)cn1 ZINC000876782043 582263130 /nfs/dbraw/zinc/26/31/30/582263130.db2.gz MHVPKBHUXPVVBO-ZDUSSCGKSA-N 2 2 294.403 -1.047 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1=O ZINC000876865268 582263405 /nfs/dbraw/zinc/26/34/05/582263405.db2.gz WUDJSWRNRVLOHQ-DTWKUNHWSA-N 2 2 290.314 -1.080 20 0 CAADLP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1=O ZINC000876865269 582263426 /nfs/dbraw/zinc/26/34/26/582263426.db2.gz WUDJSWRNRVLOHQ-IUCAKERBSA-N 2 2 290.314 -1.080 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876877493 582263634 /nfs/dbraw/zinc/26/36/34/582263634.db2.gz CGBSVCSYYNERAA-NSHDSACASA-N 2 2 258.366 -1.334 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000876916887 582263733 /nfs/dbraw/zinc/26/37/33/582263733.db2.gz IQWBKNKMXARHHZ-ISUDXETCSA-N 2 2 269.345 -1.021 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000876916886 582263738 /nfs/dbraw/zinc/26/37/38/582263738.db2.gz IQWBKNKMXARHHZ-BIOMNHJASA-N 2 2 269.345 -1.021 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCO1 ZINC000876916889 582263827 /nfs/dbraw/zinc/26/38/27/582263827.db2.gz IQWBKNKMXARHHZ-YYRQZUAOSA-N 2 2 269.345 -1.021 20 0 CAADLP CC[NH2+]CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000876986291 582263904 /nfs/dbraw/zinc/26/39/04/582263904.db2.gz AHUFGOJRBLJXOJ-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000877242411 582264714 /nfs/dbraw/zinc/26/47/14/582264714.db2.gz PAVAKFAXFSGNSA-BBBLOLIVSA-N 2 2 254.334 -1.340 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877289088 582264913 /nfs/dbraw/zinc/26/49/13/582264913.db2.gz SJQHTWDBSQFXAO-QWRGUYRKSA-N 2 2 266.345 -1.229 20 0 CAADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000877380089 582265194 /nfs/dbraw/zinc/26/51/94/582265194.db2.gz RYELKXBNRHMSFT-GXFFZTMASA-N 2 2 266.345 -1.514 20 0 CAADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000877432764 582265201 /nfs/dbraw/zinc/26/52/01/582265201.db2.gz GNFZXFNJCMCAPE-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000877432764 582265202 /nfs/dbraw/zinc/26/52/02/582265202.db2.gz GNFZXFNJCMCAPE-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877398837 582265224 /nfs/dbraw/zinc/26/52/24/582265224.db2.gz HUZPHMHPKDEVLB-ZWNOBZJWSA-N 2 2 266.345 -1.181 20 0 CAADLP Cn1nnnc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356033 582267299 /nfs/dbraw/zinc/26/72/99/582267299.db2.gz WQKFTPZJEGGHFA-UHFFFAOYSA-N 2 2 281.364 -1.542 20 0 CAADLP Cn1nnnc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356033 582267300 /nfs/dbraw/zinc/26/73/00/582267300.db2.gz WQKFTPZJEGGHFA-UHFFFAOYSA-N 2 2 281.364 -1.542 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612596 582267936 /nfs/dbraw/zinc/26/79/36/582267936.db2.gz GXDVLCZHBJIHLP-XQQFMLRXSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612596 582267938 /nfs/dbraw/zinc/26/79/38/582267938.db2.gz GXDVLCZHBJIHLP-XQQFMLRXSA-N 2 2 285.388 -1.034 20 0 CAADLP OC[C@@H]1C=CC[NH+]1CC(O)C[N@H+]1CC=C[C@H]1CO ZINC000880489313 582269503 /nfs/dbraw/zinc/26/95/03/582269503.db2.gz SHQIRXUGBLVOIK-RYUDHWBXSA-N 2 2 254.330 -1.187 20 0 CAADLP OC[C@@H]1C=CC[NH+]1CC(O)C[N@@H+]1CC=C[C@H]1CO ZINC000880489313 582269504 /nfs/dbraw/zinc/26/95/04/582269504.db2.gz SHQIRXUGBLVOIK-RYUDHWBXSA-N 2 2 254.330 -1.187 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564904 582269886 /nfs/dbraw/zinc/26/98/86/582269886.db2.gz HCXDRLGHSLWWMZ-YPMHNXCESA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564904 582269887 /nfs/dbraw/zinc/26/98/87/582269887.db2.gz HCXDRLGHSLWWMZ-YPMHNXCESA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564904 582269888 /nfs/dbraw/zinc/26/98/88/582269888.db2.gz HCXDRLGHSLWWMZ-YPMHNXCESA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564904 582269889 /nfs/dbraw/zinc/26/98/89/582269889.db2.gz HCXDRLGHSLWWMZ-YPMHNXCESA-N 2 2 290.360 -1.465 20 0 CAADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000883437379 582272172 /nfs/dbraw/zinc/27/21/72/582272172.db2.gz QIOKSQNRFDGOOY-UHFFFAOYSA-N 2 2 294.363 -1.684 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884404961 582274830 /nfs/dbraw/zinc/27/48/30/582274830.db2.gz CHWLUAYKPUOTJB-QWRGUYRKSA-N 2 2 257.334 -1.107 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000884401732 582274836 /nfs/dbraw/zinc/27/48/36/582274836.db2.gz ZOZVCUFRHJMZRM-NSHDSACASA-N 3 2 260.382 -1.040 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000884401732 582274837 /nfs/dbraw/zinc/27/48/37/582274837.db2.gz ZOZVCUFRHJMZRM-NSHDSACASA-N 3 2 260.382 -1.040 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884578120 582275574 /nfs/dbraw/zinc/27/55/74/582275574.db2.gz UIZIMWQVNSEMDG-GRYCIOLGSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884578122 582275581 /nfs/dbraw/zinc/27/55/81/582275581.db2.gz UIZIMWQVNSEMDG-UTUOFQBUSA-N 2 2 298.387 -1.229 20 0 CAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884629135 582275684 /nfs/dbraw/zinc/27/56/84/582275684.db2.gz ADELRBUHJQSBSJ-IUCAKERBSA-N 2 2 263.301 -1.391 20 0 CAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884651607 582275805 /nfs/dbraw/zinc/27/58/05/582275805.db2.gz UJBTWFAZRCRWDZ-QWRGUYRKSA-N 2 2 277.328 -1.038 20 0 CAADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000884815406 582276795 /nfs/dbraw/zinc/27/67/95/582276795.db2.gz PDKBUZSAELKDLU-LLVKDONJSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000884815406 582276797 /nfs/dbraw/zinc/27/67/97/582276797.db2.gz PDKBUZSAELKDLU-LLVKDONJSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1(C)C ZINC000884815407 582276806 /nfs/dbraw/zinc/27/68/06/582276806.db2.gz PDKBUZSAELKDLU-NSHDSACASA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1(C)C ZINC000884815407 582276808 /nfs/dbraw/zinc/27/68/08/582276808.db2.gz PDKBUZSAELKDLU-NSHDSACASA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)C1(CS(=O)(=O)NCC[N@H+](C)CCO)CC1 ZINC000885803944 582277918 /nfs/dbraw/zinc/27/79/18/582277918.db2.gz BUNDJJLZVQCAMJ-UHFFFAOYSA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH+](C)C1(CS(=O)(=O)NCC[N@@H+](C)CCO)CC1 ZINC000885803944 582277919 /nfs/dbraw/zinc/27/79/19/582277919.db2.gz BUNDJJLZVQCAMJ-UHFFFAOYSA-N 2 2 279.406 -1.076 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000887088184 582280731 /nfs/dbraw/zinc/28/07/31/582280731.db2.gz VXFKPOABBCVRAF-NWDGAFQWSA-N 2 2 298.387 -1.539 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000980892975 616257786 /nfs/dbraw/zinc/25/77/86/616257786.db2.gz CMPHNTIMDIJMJR-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000980892975 616257787 /nfs/dbraw/zinc/25/77/87/616257787.db2.gz CMPHNTIMDIJMJR-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000980892975 616257788 /nfs/dbraw/zinc/25/77/88/616257788.db2.gz CMPHNTIMDIJMJR-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000980892975 616257789 /nfs/dbraw/zinc/25/77/89/616257789.db2.gz CMPHNTIMDIJMJR-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968304644 616258095 /nfs/dbraw/zinc/25/80/95/616258095.db2.gz YXWFGNAZWYXCGN-ZJUUUORDSA-N 2 2 270.333 -2.007 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968304644 616258096 /nfs/dbraw/zinc/25/80/96/616258096.db2.gz YXWFGNAZWYXCGN-ZJUUUORDSA-N 2 2 270.333 -2.007 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961169640 616643034 /nfs/dbraw/zinc/64/30/34/616643034.db2.gz GKNKFWUYLYRUJO-YABSGUDNSA-N 2 2 291.355 -1.016 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961169640 616643036 /nfs/dbraw/zinc/64/30/36/616643036.db2.gz GKNKFWUYLYRUJO-YABSGUDNSA-N 2 2 291.355 -1.016 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958470641 616644768 /nfs/dbraw/zinc/64/47/68/616644768.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 2 296.371 -1.891 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958470641 616644771 /nfs/dbraw/zinc/64/47/71/616644771.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 2 296.371 -1.891 20 0 CAADLP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958470641 616644774 /nfs/dbraw/zinc/64/47/74/616644774.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 2 296.371 -1.891 20 0 CAADLP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958470641 616644776 /nfs/dbraw/zinc/64/47/76/616644776.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 2 296.371 -1.891 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439978 656000251 /nfs/dbraw/zinc/00/02/51/656000251.db2.gz DBOSWURNCFLZAN-CMPLNLGQSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439978 656000254 /nfs/dbraw/zinc/00/02/54/656000254.db2.gz DBOSWURNCFLZAN-CMPLNLGQSA-N 2 2 271.361 -1.254 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635331 656006330 /nfs/dbraw/zinc/00/63/30/656006330.db2.gz RLEWXFKETGVERL-ZKCHVHJHSA-N 2 2 251.290 -1.326 20 0 CAADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001021126572 656013503 /nfs/dbraw/zinc/01/35/03/656013503.db2.gz RWFDNFVPCINALS-OPRDCNLKSA-N 2 2 265.317 -1.006 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970856021 656018822 /nfs/dbraw/zinc/01/88/22/656018822.db2.gz DCDATRKSPNJTHP-MNOVXSKESA-N 2 2 277.328 -1.038 20 0 CAADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000970856536 656019119 /nfs/dbraw/zinc/01/91/19/656019119.db2.gz MBYNPCQSQHEMCC-VHSXEESVSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875572 656019579 /nfs/dbraw/zinc/01/95/79/656019579.db2.gz QDWGSOBVDNOBBW-UWVGGRQHSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875572 656019581 /nfs/dbraw/zinc/01/95/81/656019581.db2.gz QDWGSOBVDNOBBW-UWVGGRQHSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875569 656019935 /nfs/dbraw/zinc/01/99/35/656019935.db2.gz QDWGSOBVDNOBBW-NXEZZACHSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875569 656019938 /nfs/dbraw/zinc/01/99/38/656019938.db2.gz QDWGSOBVDNOBBW-NXEZZACHSA-N 2 2 268.361 -1.140 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889513 656039666 /nfs/dbraw/zinc/03/96/66/656039666.db2.gz LXPIIMQHQLFURS-OCAPTIKFSA-N 2 2 251.290 -1.326 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023024906 656041421 /nfs/dbraw/zinc/04/14/21/656041421.db2.gz LNKSZXNHWVOIEV-DTORHVGOSA-N 2 2 265.317 -1.017 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023084439 656042358 /nfs/dbraw/zinc/04/23/58/656042358.db2.gz PAPDCJZZBJLGKF-GARJFASQSA-N 2 2 293.375 -1.101 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023084439 656042360 /nfs/dbraw/zinc/04/23/60/656042360.db2.gz PAPDCJZZBJLGKF-GARJFASQSA-N 2 2 293.375 -1.101 20 0 CAADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001023161200 656043874 /nfs/dbraw/zinc/04/38/74/656043874.db2.gz RWFDNFVPCINALS-LPEHRKFASA-N 2 2 265.317 -1.006 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291454 656045258 /nfs/dbraw/zinc/04/52/58/656045258.db2.gz HDZVBZOHWVHRQG-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291454 656045260 /nfs/dbraw/zinc/04/52/60/656045260.db2.gz HDZVBZOHWVHRQG-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023291454 656045262 /nfs/dbraw/zinc/04/52/62/656045262.db2.gz HDZVBZOHWVHRQG-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023291454 656045263 /nfs/dbraw/zinc/04/52/63/656045263.db2.gz HDZVBZOHWVHRQG-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719364 656066717 /nfs/dbraw/zinc/06/67/17/656066717.db2.gz LTZFIZJWEPERCM-GCHJQGSQSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719364 656066720 /nfs/dbraw/zinc/06/67/20/656066720.db2.gz LTZFIZJWEPERCM-GCHJQGSQSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719364 656066723 /nfs/dbraw/zinc/06/67/23/656066723.db2.gz LTZFIZJWEPERCM-GCHJQGSQSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719364 656066724 /nfs/dbraw/zinc/06/67/24/656066724.db2.gz LTZFIZJWEPERCM-GCHJQGSQSA-N 2 2 296.371 -1.763 20 0 CAADLP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027347576 656083112 /nfs/dbraw/zinc/08/31/12/656083112.db2.gz XGIVWOWHSKNMNL-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027347576 656083113 /nfs/dbraw/zinc/08/31/13/656083113.db2.gz XGIVWOWHSKNMNL-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027347576 656083114 /nfs/dbraw/zinc/08/31/14/656083114.db2.gz XGIVWOWHSKNMNL-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027347576 656083116 /nfs/dbraw/zinc/08/31/16/656083116.db2.gz XGIVWOWHSKNMNL-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)O1 ZINC001027966552 656100415 /nfs/dbraw/zinc/10/04/15/656100415.db2.gz QEYMRWNSQGHNFQ-IJLUTSLNSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)O1 ZINC001027966552 656100419 /nfs/dbraw/zinc/10/04/19/656100419.db2.gz QEYMRWNSQGHNFQ-IJLUTSLNSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)O1 ZINC001027966552 656100422 /nfs/dbraw/zinc/10/04/22/656100422.db2.gz QEYMRWNSQGHNFQ-IJLUTSLNSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)O1 ZINC001027966552 656100424 /nfs/dbraw/zinc/10/04/24/656100424.db2.gz QEYMRWNSQGHNFQ-IJLUTSLNSA-N 2 2 298.387 -1.229 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327897 656113636 /nfs/dbraw/zinc/11/36/36/656113636.db2.gz FBVKUXHGEZRPPM-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327897 656113638 /nfs/dbraw/zinc/11/36/38/656113638.db2.gz FBVKUXHGEZRPPM-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028327897 656113641 /nfs/dbraw/zinc/11/36/41/656113641.db2.gz FBVKUXHGEZRPPM-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028327897 656113642 /nfs/dbraw/zinc/11/36/42/656113642.db2.gz FBVKUXHGEZRPPM-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461145 656114538 /nfs/dbraw/zinc/11/45/38/656114538.db2.gz KWPYXQHWMVWHBB-NEPJUHHUSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461145 656114540 /nfs/dbraw/zinc/11/45/40/656114540.db2.gz KWPYXQHWMVWHBB-NEPJUHHUSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461145 656114542 /nfs/dbraw/zinc/11/45/42/656114542.db2.gz KWPYXQHWMVWHBB-NEPJUHHUSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461145 656114546 /nfs/dbraw/zinc/11/45/46/656114546.db2.gz KWPYXQHWMVWHBB-NEPJUHHUSA-N 2 2 298.387 -1.499 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466850 656114894 /nfs/dbraw/zinc/11/48/94/656114894.db2.gz SWFKMLSXRFETOA-MNOVXSKESA-N 2 2 284.360 -1.760 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466850 656114895 /nfs/dbraw/zinc/11/48/95/656114895.db2.gz SWFKMLSXRFETOA-MNOVXSKESA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028466850 656114896 /nfs/dbraw/zinc/11/48/96/656114896.db2.gz SWFKMLSXRFETOA-MNOVXSKESA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466850 656114898 /nfs/dbraw/zinc/11/48/98/656114898.db2.gz SWFKMLSXRFETOA-MNOVXSKESA-N 2 2 284.360 -1.760 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)O1 ZINC001028627774 656117733 /nfs/dbraw/zinc/11/77/33/656117733.db2.gz IDDFKTFZXOXFFY-IJLUTSLNSA-N 2 2 298.387 -1.371 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)O1 ZINC001028627774 656117735 /nfs/dbraw/zinc/11/77/35/656117735.db2.gz IDDFKTFZXOXFFY-IJLUTSLNSA-N 2 2 298.387 -1.371 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)O1 ZINC001028627774 656117738 /nfs/dbraw/zinc/11/77/38/656117738.db2.gz IDDFKTFZXOXFFY-IJLUTSLNSA-N 2 2 298.387 -1.371 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)O1 ZINC001028627773 656117791 /nfs/dbraw/zinc/11/77/91/656117791.db2.gz IDDFKTFZXOXFFY-GRYCIOLGSA-N 2 2 298.387 -1.371 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)O1 ZINC001028627773 656117793 /nfs/dbraw/zinc/11/77/93/656117793.db2.gz IDDFKTFZXOXFFY-GRYCIOLGSA-N 2 2 298.387 -1.371 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)O1 ZINC001028627773 656117795 /nfs/dbraw/zinc/11/77/95/656117795.db2.gz IDDFKTFZXOXFFY-GRYCIOLGSA-N 2 2 298.387 -1.371 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973720 656121910 /nfs/dbraw/zinc/12/19/10/656121910.db2.gz FNXFFUXASMJQNT-DCQANWLSSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000924973720 656121911 /nfs/dbraw/zinc/12/19/11/656121911.db2.gz FNXFFUXASMJQNT-DCQANWLSSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000924973720 656121914 /nfs/dbraw/zinc/12/19/14/656121914.db2.gz FNXFFUXASMJQNT-DCQANWLSSA-N 2 2 271.361 -1.377 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996943 656123744 /nfs/dbraw/zinc/12/37/44/656123744.db2.gz MHGKFDLYMSLVNQ-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996943 656123746 /nfs/dbraw/zinc/12/37/46/656123746.db2.gz MHGKFDLYMSLVNQ-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028996943 656123747 /nfs/dbraw/zinc/12/37/47/656123747.db2.gz MHGKFDLYMSLVNQ-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996941 656124009 /nfs/dbraw/zinc/12/40/09/656124009.db2.gz MHGKFDLYMSLVNQ-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996941 656124011 /nfs/dbraw/zinc/12/40/11/656124011.db2.gz MHGKFDLYMSLVNQ-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028996941 656124013 /nfs/dbraw/zinc/12/40/13/656124013.db2.gz MHGKFDLYMSLVNQ-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928563785 656127753 /nfs/dbraw/zinc/12/77/53/656127753.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563785 656127755 /nfs/dbraw/zinc/12/77/55/656127755.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563785 656127759 /nfs/dbraw/zinc/12/77/59/656127759.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928563785 656127762 /nfs/dbraw/zinc/12/77/62/656127762.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001007005923 656129828 /nfs/dbraw/zinc/12/98/28/656129828.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001007005923 656129830 /nfs/dbraw/zinc/12/98/30/656129830.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005923 656129833 /nfs/dbraw/zinc/12/98/33/656129833.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005923 656129834 /nfs/dbraw/zinc/12/98/34/656129834.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987606211 656141128 /nfs/dbraw/zinc/14/11/28/656141128.db2.gz UHSGIRBDXGKDHX-NXEZZACHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987606214 656141403 /nfs/dbraw/zinc/14/14/03/656141403.db2.gz UHSGIRBDXGKDHX-ZJUUUORDSA-N 2 2 265.317 -1.053 20 0 CAADLP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925300283 656147946 /nfs/dbraw/zinc/14/79/46/656147946.db2.gz RKSHWLHGBMIFKW-VHSXEESVSA-N 2 2 270.333 -1.201 20 0 CAADLP C[NH+](C)C[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300283 656147947 /nfs/dbraw/zinc/14/79/47/656147947.db2.gz RKSHWLHGBMIFKW-VHSXEESVSA-N 2 2 270.333 -1.201 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900600232 656169003 /nfs/dbraw/zinc/16/90/03/656169003.db2.gz BIYNPYFAZMOYHB-SGMGOOAPSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900600232 656169004 /nfs/dbraw/zinc/16/90/04/656169004.db2.gz BIYNPYFAZMOYHB-SGMGOOAPSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900600221 656169024 /nfs/dbraw/zinc/16/90/24/656169024.db2.gz BIYNPYFAZMOYHB-OBJOEFQTSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900600221 656169026 /nfs/dbraw/zinc/16/90/26/656169026.db2.gz BIYNPYFAZMOYHB-OBJOEFQTSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000902932150 656184395 /nfs/dbraw/zinc/18/43/95/656184395.db2.gz BMQNIEATASYZKZ-AOOOYVTPSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000902932150 656184398 /nfs/dbraw/zinc/18/43/98/656184398.db2.gz BMQNIEATASYZKZ-AOOOYVTPSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000902932150 656184399 /nfs/dbraw/zinc/18/43/99/656184399.db2.gz BMQNIEATASYZKZ-AOOOYVTPSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000902932150 656184402 /nfs/dbraw/zinc/18/44/02/656184402.db2.gz BMQNIEATASYZKZ-AOOOYVTPSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1CS(N)(=O)=O ZINC000903827744 656186732 /nfs/dbraw/zinc/18/67/32/656186732.db2.gz VWTPGTNTKNGESM-OUAUKWLOSA-N 2 2 277.390 -1.169 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1CS(N)(=O)=O ZINC000903827744 656186736 /nfs/dbraw/zinc/18/67/36/656186736.db2.gz VWTPGTNTKNGESM-OUAUKWLOSA-N 2 2 277.390 -1.169 20 0 CAADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1CS(N)(=O)=O ZINC000903827745 656187225 /nfs/dbraw/zinc/18/72/25/656187225.db2.gz VWTPGTNTKNGESM-VWYCJHECSA-N 2 2 277.390 -1.169 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1CS(N)(=O)=O ZINC000903827745 656187230 /nfs/dbraw/zinc/18/72/30/656187230.db2.gz VWTPGTNTKNGESM-VWYCJHECSA-N 2 2 277.390 -1.169 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000903789922 656187324 /nfs/dbraw/zinc/18/73/24/656187324.db2.gz KTUJBSAVYHKIGX-RYUDHWBXSA-N 2 2 298.387 -1.539 20 0 CAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000905013559 656188593 /nfs/dbraw/zinc/18/85/93/656188593.db2.gz GUNAEQCXWRPTQW-LLVKDONJSA-N 2 2 284.360 -1.793 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000905015256 656189037 /nfs/dbraw/zinc/18/90/37/656189037.db2.gz NRZZCLDFEMAWTG-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C1 ZINC000905328971 656190746 /nfs/dbraw/zinc/19/07/46/656190746.db2.gz GFXJYSVVVWYFPG-LLVKDONJSA-N 2 2 277.390 -1.010 20 0 CAADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CC[NH2+]C1 ZINC000905328972 656190864 /nfs/dbraw/zinc/19/08/64/656190864.db2.gz GFXJYSVVVWYFPG-NSHDSACASA-N 2 2 277.390 -1.010 20 0 CAADLP C[NH2+]CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329718 656191120 /nfs/dbraw/zinc/19/11/20/656191120.db2.gz MLHGIMRGLYYUFI-UHFFFAOYSA-N 2 2 265.379 -1.153 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1CCO ZINC000907545907 656199599 /nfs/dbraw/zinc/19/95/99/656199599.db2.gz ZJJUJHJJGHXRRH-MBNYWOFBSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1CCO ZINC000907545907 656199600 /nfs/dbraw/zinc/19/96/00/656199600.db2.gz ZJJUJHJJGHXRRH-MBNYWOFBSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1CCO ZINC000907545907 656199601 /nfs/dbraw/zinc/19/96/01/656199601.db2.gz ZJJUJHJJGHXRRH-MBNYWOFBSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1CCO ZINC000907545907 656199603 /nfs/dbraw/zinc/19/96/03/656199603.db2.gz ZJJUJHJJGHXRRH-MBNYWOFBSA-N 2 2 285.388 -1.034 20 0 CAADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000910985525 656232008 /nfs/dbraw/zinc/23/20/08/656232008.db2.gz BGDHXYCRHVGAQR-JTQLQIEISA-N 2 2 265.317 -1.051 20 0 CAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910987293 656232278 /nfs/dbraw/zinc/23/22/78/656232278.db2.gz NHCDYDWHFHTVCZ-LLVKDONJSA-N 2 2 295.343 -1.554 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911370338 656242967 /nfs/dbraw/zinc/24/29/67/656242967.db2.gz XEIBDUGIBHBLDX-VXGBXAGGSA-N 2 2 298.387 -1.499 20 0 CAADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000911506129 656249077 /nfs/dbraw/zinc/24/90/77/656249077.db2.gz LCNCVXHJCGFGHR-UHFFFAOYSA-N 2 2 266.345 -1.100 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]CC1 ZINC000911703276 656252988 /nfs/dbraw/zinc/25/29/88/656252988.db2.gz WOTJHDIIMZDSTK-LLVKDONJSA-N 2 2 291.355 -1.007 20 0 CAADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC000912751652 656268009 /nfs/dbraw/zinc/26/80/09/656268009.db2.gz NHBVWNUJQMYZPY-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC000912751652 656268013 /nfs/dbraw/zinc/26/80/13/656268013.db2.gz NHBVWNUJQMYZPY-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000912751652 656268016 /nfs/dbraw/zinc/26/80/16/656268016.db2.gz NHBVWNUJQMYZPY-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000912751652 656268019 /nfs/dbraw/zinc/26/80/19/656268019.db2.gz NHBVWNUJQMYZPY-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC000912751651 656268165 /nfs/dbraw/zinc/26/81/65/656268165.db2.gz NHBVWNUJQMYZPY-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC000912751651 656268173 /nfs/dbraw/zinc/26/81/73/656268173.db2.gz NHBVWNUJQMYZPY-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000912751651 656268179 /nfs/dbraw/zinc/26/81/79/656268179.db2.gz NHBVWNUJQMYZPY-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000912751651 656268182 /nfs/dbraw/zinc/26/81/82/656268182.db2.gz NHBVWNUJQMYZPY-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913177977 656272596 /nfs/dbraw/zinc/27/25/96/656272596.db2.gz BLUSYFMUOFBTKS-KGYLQXTDSA-N 2 2 287.360 -2.091 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913177977 656272603 /nfs/dbraw/zinc/27/26/03/656272603.db2.gz BLUSYFMUOFBTKS-KGYLQXTDSA-N 2 2 287.360 -2.091 20 0 CAADLP C[NH+](C)C1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000913184857 656276185 /nfs/dbraw/zinc/27/61/85/656276185.db2.gz URFIIURBZRGWKG-LLVKDONJSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913186495 656278129 /nfs/dbraw/zinc/27/81/29/656278129.db2.gz IHBNZRLEJLERCA-AAEUAGOBSA-N 2 2 287.360 -1.826 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913186495 656278133 /nfs/dbraw/zinc/27/81/33/656278133.db2.gz IHBNZRLEJLERCA-AAEUAGOBSA-N 2 2 287.360 -1.826 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913186498 656278308 /nfs/dbraw/zinc/27/83/08/656278308.db2.gz IHBNZRLEJLERCA-YPMHNXCESA-N 2 2 287.360 -1.826 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913186498 656278313 /nfs/dbraw/zinc/27/83/13/656278313.db2.gz IHBNZRLEJLERCA-YPMHNXCESA-N 2 2 287.360 -1.826 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913191845 656278852 /nfs/dbraw/zinc/27/88/52/656278852.db2.gz UEJABLLMXHYZKD-CYBMUJFWSA-N 2 2 287.360 -1.824 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1CO ZINC000913541550 656284331 /nfs/dbraw/zinc/28/43/31/656284331.db2.gz PFBBUXAAMUKFLV-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1CO ZINC000913541550 656284338 /nfs/dbraw/zinc/28/43/38/656284338.db2.gz PFBBUXAAMUKFLV-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1CO ZINC000913541550 656284342 /nfs/dbraw/zinc/28/43/42/656284342.db2.gz PFBBUXAAMUKFLV-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1CO ZINC000913541550 656284346 /nfs/dbraw/zinc/28/43/46/656284346.db2.gz PFBBUXAAMUKFLV-AGIUHOORSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CO ZINC000913550829 656287495 /nfs/dbraw/zinc/28/74/95/656287495.db2.gz CKWHDHAUFRZUOQ-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CO ZINC000913550829 656287497 /nfs/dbraw/zinc/28/74/97/656287497.db2.gz CKWHDHAUFRZUOQ-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+](C)CC(=O)NC1(C)CN(C(=O)C[NH+](C)C)C1 ZINC000913837853 656340490 /nfs/dbraw/zinc/34/04/90/656340490.db2.gz RLYKJHRZACBFHX-UHFFFAOYSA-N 2 2 256.350 -1.173 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765909 656391288 /nfs/dbraw/zinc/39/12/88/656391288.db2.gz UNLGQVIWTQAQJN-JFGNBEQYSA-N 2 2 298.387 -1.373 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765909 656391290 /nfs/dbraw/zinc/39/12/90/656391290.db2.gz UNLGQVIWTQAQJN-JFGNBEQYSA-N 2 2 298.387 -1.373 20 0 CAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000939216494 656393017 /nfs/dbraw/zinc/39/30/17/656393017.db2.gz WRJYTWRISRYSLX-PSASIEDQSA-N 2 2 265.317 -1.126 20 0 CAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000939216496 656393318 /nfs/dbraw/zinc/39/33/18/656393318.db2.gz WRJYTWRISRYSLX-WCBMZHEXSA-N 2 2 265.317 -1.126 20 0 CAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC000939216495 656393457 /nfs/dbraw/zinc/39/34/57/656393457.db2.gz WRJYTWRISRYSLX-SCZZXKLOSA-N 2 2 265.317 -1.126 20 0 CAADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC000939412850 656395808 /nfs/dbraw/zinc/39/58/08/656395808.db2.gz HQODMONALZGEDS-DTWKUNHWSA-N 2 2 265.317 -1.126 20 0 CAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC000939412848 656396203 /nfs/dbraw/zinc/39/62/03/656396203.db2.gz HQODMONALZGEDS-BDAKNGLRSA-N 2 2 265.317 -1.126 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976636 656447185 /nfs/dbraw/zinc/44/71/85/656447185.db2.gz PBUXWPUJDYXGPV-PWSUYJOCSA-N 2 2 282.388 -1.022 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976636 656447192 /nfs/dbraw/zinc/44/71/92/656447192.db2.gz PBUXWPUJDYXGPV-PWSUYJOCSA-N 2 2 282.388 -1.022 20 0 CAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980605 656448378 /nfs/dbraw/zinc/44/83/78/656448378.db2.gz WNPLCVYVUUIDMH-GXSJLCMTSA-N 2 2 268.361 -1.283 20 0 CAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980605 656448383 /nfs/dbraw/zinc/44/83/83/656448383.db2.gz WNPLCVYVUUIDMH-GXSJLCMTSA-N 2 2 268.361 -1.283 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182893 656467945 /nfs/dbraw/zinc/46/79/45/656467945.db2.gz UWJQTEDKHPOYMF-NSHDSACASA-N 2 2 268.361 -1.268 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182893 656467946 /nfs/dbraw/zinc/46/79/46/656467946.db2.gz UWJQTEDKHPOYMF-NSHDSACASA-N 2 2 268.361 -1.268 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182578 656468061 /nfs/dbraw/zinc/46/80/61/656468061.db2.gz NWGCNFWWAZCTQP-GXSJLCMTSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182578 656468065 /nfs/dbraw/zinc/46/80/65/656468065.db2.gz NWGCNFWWAZCTQP-GXSJLCMTSA-N 2 2 268.361 -1.140 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032181157 656468738 /nfs/dbraw/zinc/46/87/38/656468738.db2.gz BKZMGTLDKRUEDJ-NWDGAFQWSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032181157 656468742 /nfs/dbraw/zinc/46/87/42/656468742.db2.gz BKZMGTLDKRUEDJ-NWDGAFQWSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604132 656473543 /nfs/dbraw/zinc/47/35/43/656473543.db2.gz LAYVHZXRVDPXGP-WDEREUQCSA-N 2 2 298.387 -1.371 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032331861 656495502 /nfs/dbraw/zinc/49/55/02/656495502.db2.gz LYBVUVRDNUXSTL-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032331861 656495505 /nfs/dbraw/zinc/49/55/05/656495505.db2.gz LYBVUVRDNUXSTL-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032331861 656495507 /nfs/dbraw/zinc/49/55/07/656495507.db2.gz LYBVUVRDNUXSTL-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032331861 656495510 /nfs/dbraw/zinc/49/55/10/656495510.db2.gz LYBVUVRDNUXSTL-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032331333 656495845 /nfs/dbraw/zinc/49/58/45/656495845.db2.gz AHMRZWXAVUYZEM-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032331333 656495850 /nfs/dbraw/zinc/49/58/50/656495850.db2.gz AHMRZWXAVUYZEM-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032331333 656495855 /nfs/dbraw/zinc/49/58/55/656495855.db2.gz AHMRZWXAVUYZEM-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032331333 656495857 /nfs/dbraw/zinc/49/58/57/656495857.db2.gz AHMRZWXAVUYZEM-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821934 656561951 /nfs/dbraw/zinc/56/19/51/656561951.db2.gz FGMJXTBOCILVDF-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821934 656561966 /nfs/dbraw/zinc/56/19/66/656561966.db2.gz FGMJXTBOCILVDF-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821924 656562485 /nfs/dbraw/zinc/56/24/85/656562485.db2.gz FGMJXTBOCILVDF-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821924 656562496 /nfs/dbraw/zinc/56/24/96/656562496.db2.gz FGMJXTBOCILVDF-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CC(N)=O)C1 ZINC000999916892 656587383 /nfs/dbraw/zinc/58/73/83/656587383.db2.gz PXILWQABMBPVIE-UHFFFAOYSA-N 2 2 265.317 -1.053 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032792847 656609584 /nfs/dbraw/zinc/60/95/84/656609584.db2.gz OTCYZFFGNAHVRS-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032792847 656609587 /nfs/dbraw/zinc/60/95/87/656609587.db2.gz OTCYZFFGNAHVRS-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032792847 656609590 /nfs/dbraw/zinc/60/95/90/656609590.db2.gz OTCYZFFGNAHVRS-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032792847 656609594 /nfs/dbraw/zinc/60/95/94/656609594.db2.gz OTCYZFFGNAHVRS-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001001278248 656620598 /nfs/dbraw/zinc/62/05/98/656620598.db2.gz JQBIFJLNBGOJCJ-LBPRGKRZSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001001278248 656620602 /nfs/dbraw/zinc/62/06/02/656620602.db2.gz JQBIFJLNBGOJCJ-LBPRGKRZSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002535098 656630582 /nfs/dbraw/zinc/63/05/82/656630582.db2.gz PKZJTVWSVDUYGV-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002535098 656630584 /nfs/dbraw/zinc/63/05/84/656630584.db2.gz PKZJTVWSVDUYGV-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001032981365 656669495 /nfs/dbraw/zinc/66/94/95/656669495.db2.gz RKPLCSTWNDSMFJ-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001032981365 656669522 /nfs/dbraw/zinc/66/95/22/656669522.db2.gz RKPLCSTWNDSMFJ-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001032981365 656669548 /nfs/dbraw/zinc/66/95/48/656669548.db2.gz RKPLCSTWNDSMFJ-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033663654 656728059 /nfs/dbraw/zinc/72/80/59/656728059.db2.gz XCIJUZQVJKKQDW-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033663654 656728063 /nfs/dbraw/zinc/72/80/63/656728063.db2.gz XCIJUZQVJKKQDW-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033663654 656728071 /nfs/dbraw/zinc/72/80/71/656728071.db2.gz XCIJUZQVJKKQDW-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033663654 656728072 /nfs/dbraw/zinc/72/80/72/656728072.db2.gz XCIJUZQVJKKQDW-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP O=C(NC[C@H]1C[N@H+](CCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035580083 656776780 /nfs/dbraw/zinc/77/67/80/656776780.db2.gz QJZWPKWFGVUCHE-LBPRGKRZSA-N 2 2 283.372 -1.109 20 0 CAADLP O=C(NC[C@H]1C[N@@H+](CCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035580083 656776783 /nfs/dbraw/zinc/77/67/83/656776783.db2.gz QJZWPKWFGVUCHE-LBPRGKRZSA-N 2 2 283.372 -1.109 20 0 CAADLP O=C(NC[C@@H]1C[N@H+](CCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035580082 656777927 /nfs/dbraw/zinc/77/79/27/656777927.db2.gz QJZWPKWFGVUCHE-GFCCVEGCSA-N 2 2 283.372 -1.109 20 0 CAADLP O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)C12CC[NH+](CC1)C2 ZINC001035580082 656777938 /nfs/dbraw/zinc/77/79/38/656777938.db2.gz QJZWPKWFGVUCHE-GFCCVEGCSA-N 2 2 283.372 -1.109 20 0 CAADLP COC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332100 656803298 /nfs/dbraw/zinc/80/32/98/656803298.db2.gz HCKLDWHEOOABLS-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP COC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332100 656803299 /nfs/dbraw/zinc/80/32/99/656803299.db2.gz HCKLDWHEOOABLS-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP COC[C@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923398903 656803965 /nfs/dbraw/zinc/80/39/65/656803965.db2.gz OFEVQLBERDTYCY-GFCCVEGCSA-N 2 2 286.376 -1.364 20 0 CAADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398726 656804326 /nfs/dbraw/zinc/80/43/26/656804326.db2.gz LOPWQMYYDKMNOG-VXGBXAGGSA-N 2 2 298.387 -1.005 20 0 CAADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398726 656804327 /nfs/dbraw/zinc/80/43/27/656804327.db2.gz LOPWQMYYDKMNOG-VXGBXAGGSA-N 2 2 298.387 -1.005 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923549959 656805690 /nfs/dbraw/zinc/80/56/90/656805690.db2.gz SPHZVYXEERWBMW-VWYCJHECSA-N 2 2 274.390 -1.324 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923549959 656805694 /nfs/dbraw/zinc/80/56/94/656805694.db2.gz SPHZVYXEERWBMW-VWYCJHECSA-N 2 2 274.390 -1.324 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473099 656806540 /nfs/dbraw/zinc/80/65/40/656806540.db2.gz PQEYQHKLMBXLOG-ZDUSSCGKSA-N 2 2 287.360 -1.207 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473099 656806543 /nfs/dbraw/zinc/80/65/43/656806543.db2.gz PQEYQHKLMBXLOG-ZDUSSCGKSA-N 2 2 287.360 -1.207 20 0 CAADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000923640226 656811932 /nfs/dbraw/zinc/81/19/32/656811932.db2.gz IYTBBWNOBCYEIO-SSDOTTSWSA-N 2 2 255.290 -1.173 20 0 CAADLP COCCN(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690685 656816067 /nfs/dbraw/zinc/81/60/67/656816067.db2.gz DRAFCQGOAIZRRH-UHFFFAOYSA-N 2 2 280.394 -1.696 20 0 CAADLP CCCNS(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923692386 656816267 /nfs/dbraw/zinc/81/62/67/656816267.db2.gz PKZNZVQFDFXAFP-UHFFFAOYSA-N 2 2 250.368 -1.274 20 0 CAADLP O=S(=O)(N1CCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690906 656816316 /nfs/dbraw/zinc/81/63/16/656816316.db2.gz TXLFOOIXGHZOIS-UHFFFAOYSA-N 2 2 262.379 -1.178 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924840078 656818421 /nfs/dbraw/zinc/81/84/21/656818421.db2.gz AHTFMPJURPYROD-NSHDSACASA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000926416681 656822685 /nfs/dbraw/zinc/82/26/85/656822685.db2.gz DEXAKNOYCZLLIH-NXEZZACHSA-N 2 2 254.334 -1.434 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926414283 656822779 /nfs/dbraw/zinc/82/27/79/656822779.db2.gz VKTAGHWTHBIPRL-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929516566 656830812 /nfs/dbraw/zinc/83/08/12/656830812.db2.gz AXOZYDQTRVNTGT-LBPRGKRZSA-N 2 2 273.377 -1.174 20 0 CAADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929516554 656830838 /nfs/dbraw/zinc/83/08/38/656830838.db2.gz AXOZYDQTRVNTGT-GFCCVEGCSA-N 2 2 273.377 -1.174 20 0 CAADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929512359 656831566 /nfs/dbraw/zinc/83/15/66/656831566.db2.gz ACBHOYTXSMDCPS-STQMWFEESA-N 2 2 285.388 -1.032 20 0 CAADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929514053 656831591 /nfs/dbraw/zinc/83/15/91/656831591.db2.gz YPTMGHPYXQZLLI-LBPRGKRZSA-N 2 2 271.361 -1.420 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946136 656856046 /nfs/dbraw/zinc/85/60/46/656856046.db2.gz CIARWOFLOZRDHV-MNOVXSKESA-N 2 2 279.406 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946136 656856048 /nfs/dbraw/zinc/85/60/48/656856048.db2.gz CIARWOFLOZRDHV-MNOVXSKESA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946136 656856050 /nfs/dbraw/zinc/85/60/50/656856050.db2.gz CIARWOFLOZRDHV-MNOVXSKESA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946136 656856055 /nfs/dbraw/zinc/85/60/55/656856055.db2.gz CIARWOFLOZRDHV-MNOVXSKESA-N 2 2 279.406 -1.091 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962144869 657016709 /nfs/dbraw/zinc/01/67/09/657016709.db2.gz DFKZPSMAHSUGHN-COMAGPEQSA-N 2 2 289.339 -1.113 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962144869 657016719 /nfs/dbraw/zinc/01/67/19/657016719.db2.gz DFKZPSMAHSUGHN-COMAGPEQSA-N 2 2 289.339 -1.113 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962149143 657016785 /nfs/dbraw/zinc/01/67/85/657016785.db2.gz QBXVHFIZZKMFDZ-GDGBQDQQSA-N 2 2 250.302 -1.009 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962149143 657016793 /nfs/dbraw/zinc/01/67/93/657016793.db2.gz QBXVHFIZZKMFDZ-GDGBQDQQSA-N 2 2 250.302 -1.009 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000963018073 657023904 /nfs/dbraw/zinc/02/39/04/657023904.db2.gz LPDRKKNSHAXKKB-IAZYJMLFSA-N 2 2 250.302 -1.078 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000963018073 657023905 /nfs/dbraw/zinc/02/39/05/657023905.db2.gz LPDRKKNSHAXKKB-IAZYJMLFSA-N 2 2 250.302 -1.078 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963024716 657024126 /nfs/dbraw/zinc/02/41/26/657024126.db2.gz VKDNKXYDSHRKMS-SVDPJWKOSA-N 2 2 277.328 -1.197 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963024716 657024130 /nfs/dbraw/zinc/02/41/30/657024130.db2.gz VKDNKXYDSHRKMS-SVDPJWKOSA-N 2 2 277.328 -1.197 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000963017761 657024400 /nfs/dbraw/zinc/02/44/00/657024400.db2.gz JYZFIZCXNVRVLL-SRRSOLGSSA-N 2 2 289.339 -1.182 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000963017761 657024407 /nfs/dbraw/zinc/02/44/07/657024407.db2.gz JYZFIZCXNVRVLL-SRRSOLGSSA-N 2 2 289.339 -1.182 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001010426304 657090382 /nfs/dbraw/zinc/09/03/82/657090382.db2.gz HDTFAHBFPKHOMA-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001010426304 657090388 /nfs/dbraw/zinc/09/03/88/657090388.db2.gz HDTFAHBFPKHOMA-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001010426304 657090393 /nfs/dbraw/zinc/09/03/93/657090393.db2.gz HDTFAHBFPKHOMA-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001010426304 657090399 /nfs/dbraw/zinc/09/03/99/657090399.db2.gz HDTFAHBFPKHOMA-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001010428944 657091074 /nfs/dbraw/zinc/09/10/74/657091074.db2.gz RYTNTIUSUZOJDD-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001010428944 657091067 /nfs/dbraw/zinc/09/10/67/657091067.db2.gz RYTNTIUSUZOJDD-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001010428944 657091071 /nfs/dbraw/zinc/09/10/71/657091071.db2.gz RYTNTIUSUZOJDD-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001010428944 657091077 /nfs/dbraw/zinc/09/10/77/657091077.db2.gz RYTNTIUSUZOJDD-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001010426296 657091250 /nfs/dbraw/zinc/09/12/50/657091250.db2.gz HDTFAHBFPKHOMA-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001010426296 657091252 /nfs/dbraw/zinc/09/12/52/657091252.db2.gz HDTFAHBFPKHOMA-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001010426296 657091254 /nfs/dbraw/zinc/09/12/54/657091254.db2.gz HDTFAHBFPKHOMA-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001010426296 657091257 /nfs/dbraw/zinc/09/12/57/657091257.db2.gz HDTFAHBFPKHOMA-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001010428945 657091395 /nfs/dbraw/zinc/09/13/95/657091395.db2.gz RYTNTIUSUZOJDD-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001010426301 657091366 /nfs/dbraw/zinc/09/13/66/657091366.db2.gz HDTFAHBFPKHOMA-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001010426301 657091369 /nfs/dbraw/zinc/09/13/69/657091369.db2.gz HDTFAHBFPKHOMA-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001010426301 657091371 /nfs/dbraw/zinc/09/13/71/657091371.db2.gz HDTFAHBFPKHOMA-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001010426301 657091375 /nfs/dbraw/zinc/09/13/75/657091375.db2.gz HDTFAHBFPKHOMA-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCO)C2)C1 ZINC001010428945 657091396 /nfs/dbraw/zinc/09/13/96/657091396.db2.gz RYTNTIUSUZOJDD-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCO)C2)C1 ZINC001010428945 657091400 /nfs/dbraw/zinc/09/14/00/657091400.db2.gz RYTNTIUSUZOJDD-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCO)C2)C1 ZINC001010428945 657091402 /nfs/dbraw/zinc/09/14/02/657091402.db2.gz RYTNTIUSUZOJDD-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001015294222 657165545 /nfs/dbraw/zinc/16/55/45/657165545.db2.gz LSNNWVMYMICHGH-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015294222 657165559 /nfs/dbraw/zinc/16/55/59/657165559.db2.gz LSNNWVMYMICHGH-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001015294223 657166321 /nfs/dbraw/zinc/16/63/21/657166321.db2.gz LSNNWVMYMICHGH-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001015294223 657166324 /nfs/dbraw/zinc/16/63/24/657166324.db2.gz LSNNWVMYMICHGH-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002701 657195600 /nfs/dbraw/zinc/19/56/00/657195600.db2.gz WZCOGQYFUXLPEL-SNVBAGLBSA-N 2 2 266.345 -1.242 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002701 657195603 /nfs/dbraw/zinc/19/56/03/657195603.db2.gz WZCOGQYFUXLPEL-SNVBAGLBSA-N 2 2 266.345 -1.242 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016249153 657202900 /nfs/dbraw/zinc/20/29/00/657202900.db2.gz FZRLIJHLCAFBDN-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016249153 657202920 /nfs/dbraw/zinc/20/29/20/657202920.db2.gz FZRLIJHLCAFBDN-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016249153 657202933 /nfs/dbraw/zinc/20/29/33/657202933.db2.gz FZRLIJHLCAFBDN-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016249153 657202944 /nfs/dbraw/zinc/20/29/44/657202944.db2.gz FZRLIJHLCAFBDN-MNOVXSKESA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016249155 657204543 /nfs/dbraw/zinc/20/45/43/657204543.db2.gz FZRLIJHLCAFBDN-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016249155 657204546 /nfs/dbraw/zinc/20/45/46/657204546.db2.gz FZRLIJHLCAFBDN-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016249155 657204548 /nfs/dbraw/zinc/20/45/48/657204548.db2.gz FZRLIJHLCAFBDN-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249155 657204553 /nfs/dbraw/zinc/20/45/53/657204553.db2.gz FZRLIJHLCAFBDN-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019655672 657274920 /nfs/dbraw/zinc/27/49/20/657274920.db2.gz VGGYTZWQBHNMMI-VIFPVBQESA-N 2 2 265.317 -1.362 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039041347 782266260 /nfs/dbraw/zinc/26/62/60/782266260.db2.gz XXFFMUPAHWSIMT-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039041347 782266268 /nfs/dbraw/zinc/26/62/68/782266268.db2.gz XXFFMUPAHWSIMT-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001039041347 782266275 /nfs/dbraw/zinc/26/62/75/782266275.db2.gz XXFFMUPAHWSIMT-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001039041347 782266282 /nfs/dbraw/zinc/26/62/82/782266282.db2.gz XXFFMUPAHWSIMT-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334191 782464309 /nfs/dbraw/zinc/46/43/09/782464309.db2.gz ZUNFRUAYDADZBJ-SDDRHHMPSA-N 2 2 271.361 -1.160 20 0 CAADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334191 782464311 /nfs/dbraw/zinc/46/43/11/782464311.db2.gz ZUNFRUAYDADZBJ-SDDRHHMPSA-N 2 2 271.361 -1.160 20 0 CAADLP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047334191 782464314 /nfs/dbraw/zinc/46/43/14/782464314.db2.gz ZUNFRUAYDADZBJ-SDDRHHMPSA-N 2 2 271.361 -1.160 20 0 CAADLP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047334191 782464319 /nfs/dbraw/zinc/46/43/19/782464319.db2.gz ZUNFRUAYDADZBJ-SDDRHHMPSA-N 2 2 271.361 -1.160 20 0 CAADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047429565 782474675 /nfs/dbraw/zinc/47/46/75/782474675.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047429565 782474679 /nfs/dbraw/zinc/47/46/79/782474679.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047429565 782474686 /nfs/dbraw/zinc/47/46/86/782474686.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047429565 782474691 /nfs/dbraw/zinc/47/46/91/782474691.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047429564 782474857 /nfs/dbraw/zinc/47/48/57/782474857.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047429564 782474858 /nfs/dbraw/zinc/47/48/58/782474858.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047429564 782474879 /nfs/dbraw/zinc/47/48/79/782474879.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047429564 782474886 /nfs/dbraw/zinc/47/48/86/782474886.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 2 2 285.388 -1.034 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047458616 782478344 /nfs/dbraw/zinc/47/83/44/782478344.db2.gz WSOANAGPUGMCJN-RYUDHWBXSA-N 2 2 282.344 -1.313 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047458616 782478350 /nfs/dbraw/zinc/47/83/50/782478350.db2.gz WSOANAGPUGMCJN-RYUDHWBXSA-N 2 2 282.344 -1.313 20 0 CAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047544707 782491098 /nfs/dbraw/zinc/49/10/98/782491098.db2.gz HSPPXLPPLZFAOO-QWRGUYRKSA-N 2 2 268.317 -1.552 20 0 CAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047544707 782491104 /nfs/dbraw/zinc/49/11/04/782491104.db2.gz HSPPXLPPLZFAOO-QWRGUYRKSA-N 2 2 268.317 -1.552 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047627908 782500320 /nfs/dbraw/zinc/50/03/20/782500320.db2.gz ZKKRGERCJJNEEN-SRVKXCTJSA-N 2 2 298.387 -1.812 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047627908 782500324 /nfs/dbraw/zinc/50/03/24/782500324.db2.gz ZKKRGERCJJNEEN-SRVKXCTJSA-N 2 2 298.387 -1.812 20 0 CAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001047627908 782500330 /nfs/dbraw/zinc/50/03/30/782500330.db2.gz ZKKRGERCJJNEEN-SRVKXCTJSA-N 2 2 298.387 -1.812 20 0 CAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001047627908 782500338 /nfs/dbraw/zinc/50/03/38/782500338.db2.gz ZKKRGERCJJNEEN-SRVKXCTJSA-N 2 2 298.387 -1.812 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645938 782502132 /nfs/dbraw/zinc/50/21/32/782502132.db2.gz CKJQUXLRRJNBML-SRVKXCTJSA-N 2 2 282.344 -1.233 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645938 782502147 /nfs/dbraw/zinc/50/21/47/782502147.db2.gz CKJQUXLRRJNBML-SRVKXCTJSA-N 2 2 282.344 -1.233 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)nc1=O ZINC001133285726 776773897 /nfs/dbraw/zinc/77/38/97/776773897.db2.gz GDQNEXDFAPLOPP-UHFFFAOYSA-N 2 2 296.375 -1.344 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H](C)O ZINC001133255500 776774022 /nfs/dbraw/zinc/77/40/22/776774022.db2.gz PVPWFAPGDUHHHK-CABZTGNLSA-N 2 2 297.359 -1.457 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H](C)O ZINC001133255500 776774027 /nfs/dbraw/zinc/77/40/27/776774027.db2.gz PVPWFAPGDUHHHK-CABZTGNLSA-N 2 2 297.359 -1.457 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001284447792 777944347 /nfs/dbraw/zinc/94/43/47/777944347.db2.gz WRGFDAFOSMRFAC-SNVBAGLBSA-N 2 2 256.306 -1.647 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001120595744 779643480 /nfs/dbraw/zinc/64/34/80/779643480.db2.gz IZLWGDYVWYASFE-ZDUSSCGKSA-N 2 2 298.435 -1.563 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345146 779838780 /nfs/dbraw/zinc/83/87/80/779838780.db2.gz RNZMIBCSPSLQIJ-UHFFFAOYSA-N 2 2 253.306 -1.146 20 0 CAADLP C[NH+](C)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219553569 780228133 /nfs/dbraw/zinc/22/81/33/780228133.db2.gz AOFSLMRLUDQDLA-NSHDSACASA-N 3 2 257.382 -1.585 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220268255 780327957 /nfs/dbraw/zinc/32/79/57/780327957.db2.gz BAIZEXUUWQGEJR-YUMQZZPRSA-N 2 2 264.351 -2.459 20 0 CAADLP Nc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(N)[nH+]1 ZINC001118807958 779588489 /nfs/dbraw/zinc/58/84/89/779588489.db2.gz NIZYIUGWLKGMAQ-SSDOTTSWSA-N 2 2 251.294 -1.709 20 0 CAADLP Nc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(N)[nH+]1 ZINC001118807958 779588493 /nfs/dbraw/zinc/58/84/93/779588493.db2.gz NIZYIUGWLKGMAQ-SSDOTTSWSA-N 2 2 251.294 -1.709 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001119005588 779601810 /nfs/dbraw/zinc/60/18/10/779601810.db2.gz MBIKWRQGFMPBJW-MIZYBKAJSA-N 2 2 266.345 -1.340 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001119005588 779601815 /nfs/dbraw/zinc/60/18/15/779601815.db2.gz MBIKWRQGFMPBJW-MIZYBKAJSA-N 2 2 266.345 -1.340 20 0 CAADLP [NH3+]CCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC001238989217 780526977 /nfs/dbraw/zinc/52/69/77/780526977.db2.gz QMIJVNSSOLXIGM-UHFFFAOYSA-N 2 2 251.352 -1.725 20 0 CAADLP C[N@@H+](C1CN(S(=O)(=O)CC[NH3+])C1)[C@H]1CCOC1 ZINC001239097608 780530021 /nfs/dbraw/zinc/53/00/21/780530021.db2.gz JOPANOWXQDOUDS-VIFPVBQESA-N 2 2 263.363 -1.320 20 0 CAADLP COCCC[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239093756 780530540 /nfs/dbraw/zinc/53/05/40/780530540.db2.gz FLQMGLVUJOXVMR-UHFFFAOYSA-N 2 2 265.379 -1.071 20 0 CAADLP COCCOC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334909 780535071 /nfs/dbraw/zinc/53/50/71/780535071.db2.gz RXBXNNCHITWKCX-UHFFFAOYSA-N 2 2 274.365 -1.146 20 0 CAADLP CCOC(=O)[C@H]([NH3+])CNC(=S)NCC[NH+](C)C ZINC001239389079 780535939 /nfs/dbraw/zinc/53/59/39/780535939.db2.gz BSXDIHNNRCQUSZ-MRVPVSSYSA-N 2 2 262.379 -1.098 20 0 CAADLP COCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438957 780536019 /nfs/dbraw/zinc/53/60/19/780536019.db2.gz LNBZABRQDQJWFD-UHFFFAOYSA-N 2 2 275.422 -1.451 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246617326 780558205 /nfs/dbraw/zinc/55/82/05/780558205.db2.gz IWWAKAMSWKGIQW-OUJBWJOFSA-N 2 2 282.344 -1.946 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601125 780558921 /nfs/dbraw/zinc/55/89/21/780558921.db2.gz GWKQNTLTTFMTDT-DZGCQCFKSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601125 780558929 /nfs/dbraw/zinc/55/89/29/780558929.db2.gz GWKQNTLTTFMTDT-DZGCQCFKSA-N 3 2 296.415 -1.229 20 0 CAADLP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254318894 780601913 /nfs/dbraw/zinc/60/19/13/780601913.db2.gz ODWMPIRHOKFCRV-JGVFFNPUSA-N 2 2 250.320 -1.489 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001221188383 780405330 /nfs/dbraw/zinc/40/53/30/780405330.db2.gz VBABHCHKJXDFEP-QWRGUYRKSA-N 3 2 297.359 -1.313 20 0 CAADLP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164825 780405882 /nfs/dbraw/zinc/40/58/82/780405882.db2.gz SSQGVHMNVCIUKK-UTUOFQBUSA-N 2 2 298.343 -1.948 20 0 CAADLP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164825 780405883 /nfs/dbraw/zinc/40/58/83/780405883.db2.gz SSQGVHMNVCIUKK-UTUOFQBUSA-N 2 2 298.343 -1.948 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221264928 780409764 /nfs/dbraw/zinc/40/97/64/780409764.db2.gz CNSANRGAYUQAOJ-FGRRRZKNSA-N 2 2 290.393 -3.399 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221278151 780413071 /nfs/dbraw/zinc/41/30/71/780413071.db2.gz IRYGTKBQTGQSDU-YFKPBYRVSA-N 2 2 256.228 -1.543 20 0 CAADLP O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221269165 780413422 /nfs/dbraw/zinc/41/34/22/780413422.db2.gz IUVDFHZQDRSFIN-ZRUFSTJUSA-N 2 2 266.345 -1.279 20 0 CAADLP COC(=O)C1(NS(=O)(=O)CC[NH3+])CC[NH+](C)CC1 ZINC001238594548 780519426 /nfs/dbraw/zinc/51/94/26/780519426.db2.gz AVVMAAQATUCEJL-UHFFFAOYSA-N 2 2 279.362 -1.498 20 0 CAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238839959 780524421 /nfs/dbraw/zinc/52/44/21/780524421.db2.gz XLIUOYADFCAPNS-UHFFFAOYSA-N 3 2 250.368 -1.794 20 0 CAADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNS(=O)(=O)CC[NH3+] ZINC001238896423 780524757 /nfs/dbraw/zinc/52/47/57/780524757.db2.gz XFCSTCVGEDXDMW-ZETCQYMHSA-N 2 2 267.351 -1.467 20 0 CAADLP C[C@H](NC(=O)CNCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001263099704 780719547 /nfs/dbraw/zinc/71/95/47/780719547.db2.gz RGGCGLDVKJGVBP-QWRGUYRKSA-N 2 2 258.366 -1.240 20 0 CAADLP CN1C(=O)CN(CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001263191985 780723902 /nfs/dbraw/zinc/72/39/02/780723902.db2.gz ISYIIOMEKTVEDJ-UHFFFAOYSA-N 2 2 297.359 -1.580 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264435639 780738720 /nfs/dbraw/zinc/73/87/20/780738720.db2.gz QRJGTYGNFRZJRB-KYZUINATSA-N 2 2 265.317 -1.078 20 0 CAADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(CCO)CC[NH2+]CCO ZINC001279736690 780776503 /nfs/dbraw/zinc/77/65/03/780776503.db2.gz DQCOTJUPRBLLRZ-GHMZBOCLSA-N 2 2 282.344 -1.084 20 0 CAADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(CCO)CC[NH2+]CCO ZINC001279736690 780776508 /nfs/dbraw/zinc/77/65/08/780776508.db2.gz DQCOTJUPRBLLRZ-GHMZBOCLSA-N 2 2 282.344 -1.084 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160596270 781454711 /nfs/dbraw/zinc/45/47/11/781454711.db2.gz FAGVRIXTHJYGRX-COPLHBTASA-N 2 2 297.355 -1.272 20 0 CAADLP COC(=O)C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160595476 781454814 /nfs/dbraw/zinc/45/48/14/781454814.db2.gz CJFOOGNLTRREPX-FIQHERPVSA-N 2 2 297.355 -1.273 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246565653 781454961 /nfs/dbraw/zinc/45/49/61/781454961.db2.gz IBYFZPNCCUNTRB-ZRUFSTJUSA-N 2 2 257.334 -1.326 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246565653 781454967 /nfs/dbraw/zinc/45/49/67/781454967.db2.gz IBYFZPNCCUNTRB-ZRUFSTJUSA-N 2 2 257.334 -1.326 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007549 782594269 /nfs/dbraw/zinc/59/42/69/782594269.db2.gz GVBUFKBAORGORN-RYUDHWBXSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007549 782594273 /nfs/dbraw/zinc/59/42/73/782594273.db2.gz GVBUFKBAORGORN-RYUDHWBXSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275705 782713904 /nfs/dbraw/zinc/71/39/04/782713904.db2.gz QFAJZZRBZZEBLW-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275705 782713908 /nfs/dbraw/zinc/71/39/08/782713908.db2.gz QFAJZZRBZZEBLW-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052275705 782713912 /nfs/dbraw/zinc/71/39/12/782713912.db2.gz QFAJZZRBZZEBLW-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052275705 782713919 /nfs/dbraw/zinc/71/39/19/782713919.db2.gz QFAJZZRBZZEBLW-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275703 782714294 /nfs/dbraw/zinc/71/42/94/782714294.db2.gz QFAJZZRBZZEBLW-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275703 782714302 /nfs/dbraw/zinc/71/43/02/782714302.db2.gz QFAJZZRBZZEBLW-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052275703 782714310 /nfs/dbraw/zinc/71/43/10/782714310.db2.gz QFAJZZRBZZEBLW-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052275703 782714320 /nfs/dbraw/zinc/71/43/20/782714320.db2.gz QFAJZZRBZZEBLW-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275704 782714416 /nfs/dbraw/zinc/71/44/16/782714416.db2.gz QFAJZZRBZZEBLW-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275704 782714421 /nfs/dbraw/zinc/71/44/21/782714421.db2.gz QFAJZZRBZZEBLW-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052275704 782714427 /nfs/dbraw/zinc/71/44/27/782714427.db2.gz QFAJZZRBZZEBLW-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052275704 782714433 /nfs/dbraw/zinc/71/44/33/782714433.db2.gz QFAJZZRBZZEBLW-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072577901 782778574 /nfs/dbraw/zinc/77/85/74/782778574.db2.gz DSNGTSHOXKBDAO-LLVKDONJSA-N 2 2 296.371 -1.663 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072577901 782778581 /nfs/dbraw/zinc/77/85/81/782778581.db2.gz DSNGTSHOXKBDAO-LLVKDONJSA-N 2 2 296.371 -1.663 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001072577901 782778584 /nfs/dbraw/zinc/77/85/84/782778584.db2.gz DSNGTSHOXKBDAO-LLVKDONJSA-N 2 2 296.371 -1.663 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001072577901 782778591 /nfs/dbraw/zinc/77/85/91/782778591.db2.gz DSNGTSHOXKBDAO-LLVKDONJSA-N 2 2 296.371 -1.663 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073554149 782792303 /nfs/dbraw/zinc/79/23/03/782792303.db2.gz CVOVXRPATJTRPD-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554149 782792289 /nfs/dbraw/zinc/79/22/89/782792289.db2.gz CVOVXRPATJTRPD-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554149 782792295 /nfs/dbraw/zinc/79/22/95/782792295.db2.gz CVOVXRPATJTRPD-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073554149 782792297 /nfs/dbraw/zinc/79/22/97/782792297.db2.gz CVOVXRPATJTRPD-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP NC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483961 782792589 /nfs/dbraw/zinc/79/25/89/782792589.db2.gz ZDWFRHSEIQFUIX-UHFFFAOYSA-N 2 2 277.328 -1.097 20 0 CAADLP NC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483961 782792595 /nfs/dbraw/zinc/79/25/95/782792595.db2.gz ZDWFRHSEIQFUIX-UHFFFAOYSA-N 2 2 277.328 -1.097 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581903 782808542 /nfs/dbraw/zinc/80/85/42/782808542.db2.gz XHBNHHZHAUEHFW-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581903 782808547 /nfs/dbraw/zinc/80/85/47/782808547.db2.gz XHBNHHZHAUEHFW-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581801 782809421 /nfs/dbraw/zinc/80/94/21/782809421.db2.gz QEHJXTQQBMHRQF-DCAQKATOSA-N 2 2 284.360 -1.619 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581801 782809424 /nfs/dbraw/zinc/80/94/24/782809424.db2.gz QEHJXTQQBMHRQF-DCAQKATOSA-N 2 2 284.360 -1.619 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581802 782809453 /nfs/dbraw/zinc/80/94/53/782809453.db2.gz QEHJXTQQBMHRQF-GARJFASQSA-N 2 2 284.360 -1.619 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581802 782809454 /nfs/dbraw/zinc/80/94/54/782809454.db2.gz QEHJXTQQBMHRQF-GARJFASQSA-N 2 2 284.360 -1.619 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099810239 782837273 /nfs/dbraw/zinc/83/72/73/782837273.db2.gz PWFOYXMPBLFJKO-QWRGUYRKSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099810239 782837274 /nfs/dbraw/zinc/83/72/74/782837274.db2.gz PWFOYXMPBLFJKO-QWRGUYRKSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099810240 782839182 /nfs/dbraw/zinc/83/91/82/782839182.db2.gz PWFOYXMPBLFJKO-WDEREUQCSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099810240 782839184 /nfs/dbraw/zinc/83/91/84/782839184.db2.gz PWFOYXMPBLFJKO-WDEREUQCSA-N 2 2 282.344 -1.114 20 0 CAADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880126 782841064 /nfs/dbraw/zinc/84/10/64/782841064.db2.gz VQGLXICPMHNGHI-RYUDHWBXSA-N 2 2 298.387 -1.493 20 0 CAADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880126 782841070 /nfs/dbraw/zinc/84/10/70/782841070.db2.gz VQGLXICPMHNGHI-RYUDHWBXSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880126 782841076 /nfs/dbraw/zinc/84/10/76/782841076.db2.gz VQGLXICPMHNGHI-RYUDHWBXSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880126 782841081 /nfs/dbraw/zinc/84/10/81/782841081.db2.gz VQGLXICPMHNGHI-RYUDHWBXSA-N 2 2 298.387 -1.493 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099940347 782844557 /nfs/dbraw/zinc/84/45/57/782844557.db2.gz UAJOWRHPNLHKPU-RYUDHWBXSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099940347 782844566 /nfs/dbraw/zinc/84/45/66/782844566.db2.gz UAJOWRHPNLHKPU-RYUDHWBXSA-N 2 2 282.344 -1.183 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099928441 782845056 /nfs/dbraw/zinc/84/50/56/782845056.db2.gz KSBBAZDTFQYKHT-VXGBXAGGSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099928441 782845060 /nfs/dbraw/zinc/84/50/60/782845060.db2.gz KSBBAZDTFQYKHT-VXGBXAGGSA-N 2 2 296.371 -1.104 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099971130 782845902 /nfs/dbraw/zinc/84/59/02/782845902.db2.gz AWCAOZSAUNFQCD-WDEREUQCSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099971130 782845905 /nfs/dbraw/zinc/84/59/05/782845905.db2.gz AWCAOZSAUNFQCD-WDEREUQCSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099974981 782845946 /nfs/dbraw/zinc/84/59/46/782845946.db2.gz XDTTXFNXRBPWDE-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099974981 782845952 /nfs/dbraw/zinc/84/59/52/782845952.db2.gz XDTTXFNXRBPWDE-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986639 782847629 /nfs/dbraw/zinc/84/76/29/782847629.db2.gz NGCINLRSKNUFMT-WDEREUQCSA-N 2 2 286.376 -1.765 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986639 782847636 /nfs/dbraw/zinc/84/76/36/782847636.db2.gz NGCINLRSKNUFMT-WDEREUQCSA-N 2 2 286.376 -1.765 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100048520 782849822 /nfs/dbraw/zinc/84/98/22/782849822.db2.gz MXVFEHVNYRQDFA-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100048520 782849828 /nfs/dbraw/zinc/84/98/28/782849828.db2.gz MXVFEHVNYRQDFA-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100082941 782850452 /nfs/dbraw/zinc/85/04/52/782850452.db2.gz KPJSEQMPRQNKRP-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100082941 782850457 /nfs/dbraw/zinc/85/04/57/782850457.db2.gz KPJSEQMPRQNKRP-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100082941 782850464 /nfs/dbraw/zinc/85/04/64/782850464.db2.gz KPJSEQMPRQNKRP-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100082941 782850470 /nfs/dbraw/zinc/85/04/70/782850470.db2.gz KPJSEQMPRQNKRP-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100094540 782850794 /nfs/dbraw/zinc/85/07/94/782850794.db2.gz OEZAOQBFXGAAED-STQMWFEESA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100094540 782850799 /nfs/dbraw/zinc/85/07/99/782850799.db2.gz OEZAOQBFXGAAED-STQMWFEESA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100094538 782852215 /nfs/dbraw/zinc/85/22/15/782852215.db2.gz OEZAOQBFXGAAED-OLZOCXBDSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100094538 782852224 /nfs/dbraw/zinc/85/22/24/782852224.db2.gz OEZAOQBFXGAAED-OLZOCXBDSA-N 2 2 296.371 -1.104 20 0 CAADLP NC(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100790142 782861395 /nfs/dbraw/zinc/86/13/95/782861395.db2.gz QRJGTYGNFRZJRB-UHFFFAOYSA-N 2 2 265.317 -1.078 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046366 782885708 /nfs/dbraw/zinc/88/57/08/782885708.db2.gz GHQINSOVTZVGJQ-KBPBESRZSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046366 782885717 /nfs/dbraw/zinc/88/57/17/782885717.db2.gz GHQINSOVTZVGJQ-KBPBESRZSA-N 2 2 297.447 -1.016 20 0 CAADLP [NH3+][C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1O ZINC001167090817 775116939 /nfs/dbraw/zinc/11/69/39/775116939.db2.gz XIMSARYOXYSROG-VHSXEESVSA-N 2 2 265.317 -1.179 20 0 CAADLP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001266347029 775120756 /nfs/dbraw/zinc/12/07/56/775120756.db2.gz FBNMENQVFATTFT-SNVBAGLBSA-N 2 2 256.350 -1.139 20 0 CAADLP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001266347029 775120760 /nfs/dbraw/zinc/12/07/60/775120760.db2.gz FBNMENQVFATTFT-SNVBAGLBSA-N 2 2 256.350 -1.139 20 0 CAADLP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001266347029 775120762 /nfs/dbraw/zinc/12/07/62/775120762.db2.gz FBNMENQVFATTFT-SNVBAGLBSA-N 2 2 256.350 -1.139 20 0 CAADLP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001266347029 775120766 /nfs/dbraw/zinc/12/07/66/775120766.db2.gz FBNMENQVFATTFT-SNVBAGLBSA-N 2 2 256.350 -1.139 20 0 CAADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001267156674 775206085 /nfs/dbraw/zinc/20/60/85/775206085.db2.gz VSLQYKRYCZQSEE-VIFPVBQESA-N 2 2 253.306 -1.147 20 0 CAADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001267156673 775206499 /nfs/dbraw/zinc/20/64/99/775206499.db2.gz VSLQYKRYCZQSEE-SECBINFHSA-N 2 2 253.306 -1.147 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001267230012 775218209 /nfs/dbraw/zinc/21/82/09/775218209.db2.gz DYBRTJHQOQKMPW-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001267230012 775218214 /nfs/dbraw/zinc/21/82/14/775218214.db2.gz DYBRTJHQOQKMPW-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445468 775245943 /nfs/dbraw/zinc/24/59/43/775245943.db2.gz AYAQCFRLCBCYDT-VIFPVBQESA-N 2 2 293.327 -1.195 20 0 CAADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001267458154 775247258 /nfs/dbraw/zinc/24/72/58/775247258.db2.gz AXROCAPVDIDGKY-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001267458154 775247267 /nfs/dbraw/zinc/24/72/67/775247267.db2.gz AXROCAPVDIDGKY-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP C[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001267479402 775250049 /nfs/dbraw/zinc/25/00/49/775250049.db2.gz UCZBJXAHQQCWIJ-VIFPVBQESA-N 2 2 253.306 -1.195 20 0 CAADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083275332 775255100 /nfs/dbraw/zinc/25/51/00/775255100.db2.gz YGCOGFGJMOHSKD-QWHCGFSZSA-N 2 2 283.372 -1.014 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038144922 775277651 /nfs/dbraw/zinc/27/76/51/775277651.db2.gz ZPMFKLOWJNSYDT-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038144922 775277654 /nfs/dbraw/zinc/27/76/54/775277654.db2.gz ZPMFKLOWJNSYDT-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001038144922 775277656 /nfs/dbraw/zinc/27/76/56/775277656.db2.gz ZPMFKLOWJNSYDT-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001038144922 775277662 /nfs/dbraw/zinc/27/76/62/775277662.db2.gz ZPMFKLOWJNSYDT-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038144926 775278649 /nfs/dbraw/zinc/27/86/49/775278649.db2.gz ZPMFKLOWJNSYDT-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038144926 775278658 /nfs/dbraw/zinc/27/86/58/775278658.db2.gz ZPMFKLOWJNSYDT-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001038144926 775278667 /nfs/dbraw/zinc/27/86/67/775278667.db2.gz ZPMFKLOWJNSYDT-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001038144926 775278673 /nfs/dbraw/zinc/27/86/73/775278673.db2.gz ZPMFKLOWJNSYDT-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+](C)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001267690538 775285238 /nfs/dbraw/zinc/28/52/38/775285238.db2.gz DHWBVGNZPWYLPD-NSHDSACASA-N 2 2 268.361 -1.125 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000311021121 775287231 /nfs/dbraw/zinc/28/72/31/775287231.db2.gz LSPJZFZIZKDJAR-SNVBAGLBSA-N 2 2 259.350 -1.389 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000311021121 775287239 /nfs/dbraw/zinc/28/72/39/775287239.db2.gz LSPJZFZIZKDJAR-SNVBAGLBSA-N 2 2 259.350 -1.389 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083290702 775291055 /nfs/dbraw/zinc/29/10/55/775291055.db2.gz QITMBANOSORMQA-NWDGAFQWSA-N 2 2 280.328 -1.213 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083290702 775291061 /nfs/dbraw/zinc/29/10/61/775291061.db2.gz QITMBANOSORMQA-NWDGAFQWSA-N 2 2 280.328 -1.213 20 0 CAADLP CC(C)[NH+]1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159148 775294847 /nfs/dbraw/zinc/29/48/47/775294847.db2.gz NCOIUOXDDAZKHE-CYBMUJFWSA-N 3 2 283.420 -1.054 20 0 CAADLP CCn1nnc2c1[C@H](C(=O)NCC[NH2+]C)C[NH2+]C2 ZINC001220051229 775295131 /nfs/dbraw/zinc/29/51/31/775295131.db2.gz PIKINJSBQGBBBB-MRVPVSSYSA-N 2 2 252.322 -1.180 20 0 CAADLP NC(=O)[C@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220329731 775296471 /nfs/dbraw/zinc/29/64/71/775296471.db2.gz YSDAHBWWDIILJD-ZJUUUORDSA-N 2 2 266.301 -1.779 20 0 CAADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001161476431 775299309 /nfs/dbraw/zinc/29/93/09/775299309.db2.gz AQEIQNUWZZABFF-RMIALFOJSA-N 3 2 296.371 -1.713 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268314858 775400396 /nfs/dbraw/zinc/40/03/96/775400396.db2.gz MCNRDBSYEOADDE-VXGBXAGGSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268316776 775401513 /nfs/dbraw/zinc/40/15/13/775401513.db2.gz VOYNYUGLUATILE-ZYHUDNBSSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CCCO ZINC001268325111 775403520 /nfs/dbraw/zinc/40/35/20/775403520.db2.gz RNWNGEUWHSVJRN-SNVBAGLBSA-N 2 2 256.306 -1.599 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001268332061 775405581 /nfs/dbraw/zinc/40/55/81/775405581.db2.gz MBEQQLAOPMWCPX-JTQLQIEISA-N 2 2 270.333 -1.290 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CCCO ZINC001268332063 775405684 /nfs/dbraw/zinc/40/56/84/775405684.db2.gz MBEQQLAOPMWCPX-SNVBAGLBSA-N 2 2 270.333 -1.290 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001268446220 775413897 /nfs/dbraw/zinc/41/38/97/775413897.db2.gz VAGRYWAVEFKLOU-NSHDSACASA-N 2 2 259.350 -1.254 20 0 CAADLP OCC(CO)(CO)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001167927439 775436901 /nfs/dbraw/zinc/43/69/01/775436901.db2.gz SZMGLXHVNDQVJD-UHFFFAOYSA-N 2 2 282.344 -1.381 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083372955 775453444 /nfs/dbraw/zinc/45/34/44/775453444.db2.gz MHSRHEQNXTVSGU-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083372955 775453432 /nfs/dbraw/zinc/45/34/32/775453432.db2.gz MHSRHEQNXTVSGU-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083372955 775453438 /nfs/dbraw/zinc/45/34/38/775453438.db2.gz MHSRHEQNXTVSGU-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083372955 775453451 /nfs/dbraw/zinc/45/34/51/775453451.db2.gz MHSRHEQNXTVSGU-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083372820 775453937 /nfs/dbraw/zinc/45/39/37/775453937.db2.gz GHNDHFUJETVPLZ-VWYCJHECSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083372820 775453943 /nfs/dbraw/zinc/45/39/43/775453943.db2.gz GHNDHFUJETVPLZ-VWYCJHECSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083372820 775453948 /nfs/dbraw/zinc/45/39/48/775453948.db2.gz GHNDHFUJETVPLZ-VWYCJHECSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083372820 775453951 /nfs/dbraw/zinc/45/39/51/775453951.db2.gz GHNDHFUJETVPLZ-VWYCJHECSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083385014 775454713 /nfs/dbraw/zinc/45/47/13/775454713.db2.gz BKHKITKYMWUFCC-FRRDWIJNSA-N 2 2 283.372 -1.112 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083385014 775454719 /nfs/dbraw/zinc/45/47/19/775454719.db2.gz BKHKITKYMWUFCC-FRRDWIJNSA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083385014 775454726 /nfs/dbraw/zinc/45/47/26/775454726.db2.gz BKHKITKYMWUFCC-FRRDWIJNSA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083385014 775454738 /nfs/dbraw/zinc/45/47/38/775454738.db2.gz BKHKITKYMWUFCC-FRRDWIJNSA-N 2 2 283.372 -1.112 20 0 CAADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385389 775455026 /nfs/dbraw/zinc/45/50/26/775455026.db2.gz MRGSXZSYFAFJBV-OUAUKWLOSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385389 775455034 /nfs/dbraw/zinc/45/50/34/775455034.db2.gz MRGSXZSYFAFJBV-OUAUKWLOSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385389 775455043 /nfs/dbraw/zinc/45/50/43/775455043.db2.gz MRGSXZSYFAFJBV-OUAUKWLOSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385389 775455048 /nfs/dbraw/zinc/45/50/48/775455048.db2.gz MRGSXZSYFAFJBV-OUAUKWLOSA-N 2 2 257.334 -1.502 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083385548 775455547 /nfs/dbraw/zinc/45/55/47/775455547.db2.gz RFJLKINJUQSCSV-GRYCIOLGSA-N 2 2 289.351 -1.162 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083385548 775455548 /nfs/dbraw/zinc/45/55/48/775455548.db2.gz RFJLKINJUQSCSV-GRYCIOLGSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001083385548 775455551 /nfs/dbraw/zinc/45/55/51/775455551.db2.gz RFJLKINJUQSCSV-GRYCIOLGSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001083385548 775455552 /nfs/dbraw/zinc/45/55/52/775455552.db2.gz RFJLKINJUQSCSV-GRYCIOLGSA-N 2 2 289.351 -1.162 20 0 CAADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385390 775455764 /nfs/dbraw/zinc/45/57/64/775455764.db2.gz MRGSXZSYFAFJBV-VWYCJHECSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385390 775455767 /nfs/dbraw/zinc/45/57/67/775455767.db2.gz MRGSXZSYFAFJBV-VWYCJHECSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385390 775455769 /nfs/dbraw/zinc/45/57/69/775455769.db2.gz MRGSXZSYFAFJBV-VWYCJHECSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385390 775455773 /nfs/dbraw/zinc/45/57/73/775455773.db2.gz MRGSXZSYFAFJBV-VWYCJHECSA-N 2 2 257.334 -1.502 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)O1 ZINC001038398920 775465423 /nfs/dbraw/zinc/46/54/23/775465423.db2.gz JMYCGKDYYITSLB-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)O1 ZINC001038398920 775465432 /nfs/dbraw/zinc/46/54/32/775465432.db2.gz JMYCGKDYYITSLB-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)O1 ZINC001038398920 775465435 /nfs/dbraw/zinc/46/54/35/775465435.db2.gz JMYCGKDYYITSLB-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)O1 ZINC001038398920 775465441 /nfs/dbraw/zinc/46/54/41/775465441.db2.gz JMYCGKDYYITSLB-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)O1 ZINC001038398917 775465568 /nfs/dbraw/zinc/46/55/68/775465568.db2.gz JMYCGKDYYITSLB-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)O1 ZINC001038398917 775465572 /nfs/dbraw/zinc/46/55/72/775465572.db2.gz JMYCGKDYYITSLB-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)O1 ZINC001038398917 775465578 /nfs/dbraw/zinc/46/55/78/775465578.db2.gz JMYCGKDYYITSLB-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)O1 ZINC001038398917 775465583 /nfs/dbraw/zinc/46/55/83/775465583.db2.gz JMYCGKDYYITSLB-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001268711535 775470128 /nfs/dbraw/zinc/47/01/28/775470128.db2.gz KEDLVNOXWVALIU-QMMMGPOBSA-N 2 2 253.306 -1.458 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001268712849 775472702 /nfs/dbraw/zinc/47/27/02/775472702.db2.gz GNRXYCRSKDXFGJ-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269094213 775489489 /nfs/dbraw/zinc/48/94/89/775489489.db2.gz BZAGDQPZEYDMBY-TXEJJXNPSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269094213 775489485 /nfs/dbraw/zinc/48/94/85/775489485.db2.gz BZAGDQPZEYDMBY-TXEJJXNPSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CCO)CCO)[C@@H]2C1 ZINC001269095957 775489856 /nfs/dbraw/zinc/48/98/56/775489856.db2.gz YQUPCHCJZSVABW-NWDGAFQWSA-N 2 2 271.361 -1.565 20 0 CAADLP C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CCO)CCO)[C@@H]2C1 ZINC001269095957 775489859 /nfs/dbraw/zinc/48/98/59/775489859.db2.gz YQUPCHCJZSVABW-NWDGAFQWSA-N 2 2 271.361 -1.565 20 0 CAADLP NC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229625844 775667044 /nfs/dbraw/zinc/66/70/44/775667044.db2.gz MRQUAEXJPPBCEB-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1C[NH+](C)C1 ZINC001142595937 775708377 /nfs/dbraw/zinc/70/83/77/775708377.db2.gz UCEZKPXBAFOFKL-JTQLQIEISA-N 2 2 255.318 -1.136 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1C[NH+](C)C1 ZINC001142595937 775708382 /nfs/dbraw/zinc/70/83/82/775708382.db2.gz UCEZKPXBAFOFKL-JTQLQIEISA-N 2 2 255.318 -1.136 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)[C@H]2NCN[C@H]21 ZINC001142638206 775711600 /nfs/dbraw/zinc/71/16/00/775711600.db2.gz WRQUCBHNYVSDSK-NNYUYHANSA-N 2 2 280.376 -2.010 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)[C@@H]2NCN[C@@H]21 ZINC001142638207 775712132 /nfs/dbraw/zinc/71/21/32/775712132.db2.gz WRQUCBHNYVSDSK-QCNOEVLYSA-N 2 2 280.376 -2.010 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)[C@@H]2NCN[C@H]21 ZINC001142638250 775712446 /nfs/dbraw/zinc/71/24/46/775712446.db2.gz WRQUCBHNYVSDSK-YFKTTZPYSA-N 2 2 280.376 -2.010 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805632 775758354 /nfs/dbraw/zinc/75/83/54/775758354.db2.gz ONFAPMSIOGQQLK-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805632 775758356 /nfs/dbraw/zinc/75/83/56/775758356.db2.gz ONFAPMSIOGQQLK-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805632 775758359 /nfs/dbraw/zinc/75/83/59/775758359.db2.gz ONFAPMSIOGQQLK-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805632 775758361 /nfs/dbraw/zinc/75/83/61/775758361.db2.gz ONFAPMSIOGQQLK-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837123 775762781 /nfs/dbraw/zinc/76/27/81/775762781.db2.gz PJBAFPFBBAWOPB-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837123 775762785 /nfs/dbraw/zinc/76/27/85/775762785.db2.gz PJBAFPFBBAWOPB-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076837123 775762788 /nfs/dbraw/zinc/76/27/88/775762788.db2.gz PJBAFPFBBAWOPB-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076837123 775762790 /nfs/dbraw/zinc/76/27/90/775762790.db2.gz PJBAFPFBBAWOPB-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001076835549 775765401 /nfs/dbraw/zinc/76/54/01/775765401.db2.gz BKHKITKYMWUFCC-JHJVBQTASA-N 2 2 283.372 -1.112 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001076835549 775765412 /nfs/dbraw/zinc/76/54/12/775765412.db2.gz BKHKITKYMWUFCC-JHJVBQTASA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001076835549 775765424 /nfs/dbraw/zinc/76/54/24/775765424.db2.gz BKHKITKYMWUFCC-JHJVBQTASA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001076835549 775765431 /nfs/dbraw/zinc/76/54/31/775765431.db2.gz BKHKITKYMWUFCC-JHJVBQTASA-N 2 2 283.372 -1.112 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077131014 775796569 /nfs/dbraw/zinc/79/65/69/775796569.db2.gz KIHKZAMSCQOCND-IJLUTSLNSA-N 2 2 294.355 -1.086 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001077131014 775796581 /nfs/dbraw/zinc/79/65/81/775796581.db2.gz KIHKZAMSCQOCND-IJLUTSLNSA-N 2 2 294.355 -1.086 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077236244 775806063 /nfs/dbraw/zinc/80/60/63/775806063.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077236244 775806079 /nfs/dbraw/zinc/80/60/79/775806079.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077236244 775806086 /nfs/dbraw/zinc/80/60/86/775806086.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077236244 775806096 /nfs/dbraw/zinc/80/60/96/775806096.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083571678 775817944 /nfs/dbraw/zinc/81/79/44/775817944.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083571678 775817954 /nfs/dbraw/zinc/81/79/54/775817954.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083571678 775817966 /nfs/dbraw/zinc/81/79/66/775817966.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083571678 775817973 /nfs/dbraw/zinc/81/79/73/775817973.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077392787 775823673 /nfs/dbraw/zinc/82/36/73/775823673.db2.gz QLKUOAXUAYJZAQ-GHMZBOCLSA-N 2 2 268.317 -1.655 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077392787 775823686 /nfs/dbraw/zinc/82/36/86/775823686.db2.gz QLKUOAXUAYJZAQ-GHMZBOCLSA-N 2 2 268.317 -1.655 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392620 775824291 /nfs/dbraw/zinc/82/42/91/775824291.db2.gz JSRCFXCVDYRUQB-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392620 775824302 /nfs/dbraw/zinc/82/43/02/775824302.db2.gz JSRCFXCVDYRUQB-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580146 775826057 /nfs/dbraw/zinc/82/60/57/775826057.db2.gz SPBGUVFSLJSSPY-UHTWSYAYSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001083580146 775826070 /nfs/dbraw/zinc/82/60/70/775826070.db2.gz SPBGUVFSLJSSPY-UHTWSYAYSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583675 775826940 /nfs/dbraw/zinc/82/69/40/775826940.db2.gz NRJWYMNRLWPEBP-UHTWSYAYSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001083583675 775826951 /nfs/dbraw/zinc/82/69/51/775826951.db2.gz NRJWYMNRLWPEBP-UHTWSYAYSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001272528759 775930236 /nfs/dbraw/zinc/93/02/36/775930236.db2.gz CPOSPETXFOFFDC-GFCCVEGCSA-N 2 2 292.343 -1.084 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001272567563 775935299 /nfs/dbraw/zinc/93/52/99/775935299.db2.gz RTGYBHLXBMHBAH-MRVPVSSYSA-N 2 2 269.305 -2.187 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001272591531 775952583 /nfs/dbraw/zinc/95/25/83/775952583.db2.gz HVRFSAKLUYNKBK-LBPRGKRZSA-N 2 2 292.343 -1.154 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001272591530 775952700 /nfs/dbraw/zinc/95/27/00/775952700.db2.gz HVRFSAKLUYNKBK-GFCCVEGCSA-N 2 2 292.343 -1.154 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCN1CC1=CS[C@H]([NH3+])N1 ZINC001236052909 775977566 /nfs/dbraw/zinc/97/75/66/775977566.db2.gz IXFUMESZEIVYMY-WCBMZHEXSA-N 2 2 258.347 -1.147 20 0 CAADLP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001125220653 776029108 /nfs/dbraw/zinc/02/91/08/776029108.db2.gz KKGLESHCZYLPRO-LBPRGKRZSA-N 2 2 296.375 -1.166 20 0 CAADLP CCn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001125220653 776029114 /nfs/dbraw/zinc/02/91/14/776029114.db2.gz KKGLESHCZYLPRO-LBPRGKRZSA-N 2 2 296.375 -1.166 20 0 CAADLP C[NH+](C)CCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107204989 776036157 /nfs/dbraw/zinc/03/61/57/776036157.db2.gz LNNZQYNSAJWIKB-UHFFFAOYSA-N 2 2 296.375 -1.305 20 0 CAADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC(N)=O)[nH]n1 ZINC001127772171 776041364 /nfs/dbraw/zinc/04/13/64/776041364.db2.gz DXUPYLRJCFCFDW-LLVKDONJSA-N 2 2 294.359 -1.019 20 0 CAADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC(N)=O)[nH]n1 ZINC001127772171 776041369 /nfs/dbraw/zinc/04/13/69/776041369.db2.gz DXUPYLRJCFCFDW-LLVKDONJSA-N 2 2 294.359 -1.019 20 0 CAADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077675220 776058648 /nfs/dbraw/zinc/05/86/48/776058648.db2.gz GAVBPTKEMMQPLL-QJPTWQEYSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077675220 776058651 /nfs/dbraw/zinc/05/86/51/776058651.db2.gz GAVBPTKEMMQPLL-QJPTWQEYSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077675220 776058656 /nfs/dbraw/zinc/05/86/56/776058656.db2.gz GAVBPTKEMMQPLL-QJPTWQEYSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077675220 776058661 /nfs/dbraw/zinc/05/86/61/776058661.db2.gz GAVBPTKEMMQPLL-QJPTWQEYSA-N 2 2 271.361 -1.376 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(S(=O)(=O)CC[NH3+])C1 ZINC001239129417 776059030 /nfs/dbraw/zinc/05/90/30/776059030.db2.gz NMEHWIVWLAAMKB-QMMMGPOBSA-N 2 2 251.308 -2.149 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009851 776112040 /nfs/dbraw/zinc/11/20/40/776112040.db2.gz VNHWJUSCBQGURT-YUSALJHKSA-N 2 2 282.344 -1.495 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009851 776112046 /nfs/dbraw/zinc/11/20/46/776112046.db2.gz VNHWJUSCBQGURT-YUSALJHKSA-N 2 2 282.344 -1.495 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001078081343 776117167 /nfs/dbraw/zinc/11/71/67/776117167.db2.gz VAKYSHYVHMSQGQ-XXILOJSOSA-N 2 2 282.344 -1.197 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001078081343 776117171 /nfs/dbraw/zinc/11/71/71/776117171.db2.gz VAKYSHYVHMSQGQ-XXILOJSOSA-N 2 2 282.344 -1.197 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179199 776127297 /nfs/dbraw/zinc/12/72/97/776127297.db2.gz YUIKAXKKYKQQBN-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179199 776127315 /nfs/dbraw/zinc/12/73/15/776127315.db2.gz YUIKAXKKYKQQBN-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078180015 776128063 /nfs/dbraw/zinc/12/80/63/776128063.db2.gz JBSZBSUOWBONSY-GHMZBOCLSA-N 2 2 257.334 -1.764 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078180015 776128068 /nfs/dbraw/zinc/12/80/68/776128068.db2.gz JBSZBSUOWBONSY-GHMZBOCLSA-N 2 2 257.334 -1.764 20 0 CAADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205749 776133349 /nfs/dbraw/zinc/13/33/49/776133349.db2.gz BETIWNMTJIAHMI-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205749 776133352 /nfs/dbraw/zinc/13/33/52/776133352.db2.gz BETIWNMTJIAHMI-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078205749 776133355 /nfs/dbraw/zinc/13/33/55/776133355.db2.gz BETIWNMTJIAHMI-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205749 776133358 /nfs/dbraw/zinc/13/33/58/776133358.db2.gz BETIWNMTJIAHMI-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078205814 776133587 /nfs/dbraw/zinc/13/35/87/776133587.db2.gz DVJPTBXVAQVSQE-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078205814 776133592 /nfs/dbraw/zinc/13/35/92/776133592.db2.gz DVJPTBXVAQVSQE-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078205814 776133596 /nfs/dbraw/zinc/13/35/96/776133596.db2.gz DVJPTBXVAQVSQE-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078205814 776133603 /nfs/dbraw/zinc/13/36/03/776133603.db2.gz DVJPTBXVAQVSQE-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270546 776135520 /nfs/dbraw/zinc/13/55/20/776135520.db2.gz BUMQEGGTDKSPDT-GMTAPVOTSA-N 2 2 268.317 -1.575 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270546 776135523 /nfs/dbraw/zinc/13/55/23/776135523.db2.gz BUMQEGGTDKSPDT-GMTAPVOTSA-N 2 2 268.317 -1.575 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078272169 776135656 /nfs/dbraw/zinc/13/56/56/776135656.db2.gz KPTJVMOADCCILL-GHMZBOCLSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078272169 776135662 /nfs/dbraw/zinc/13/56/62/776135662.db2.gz KPTJVMOADCCILL-GHMZBOCLSA-N 2 2 268.317 -1.573 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270574 776135988 /nfs/dbraw/zinc/13/59/88/776135988.db2.gz FALBVJSCHVUEIM-GHMZBOCLSA-N 2 2 268.317 -1.309 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270574 776135994 /nfs/dbraw/zinc/13/59/94/776135994.db2.gz FALBVJSCHVUEIM-GHMZBOCLSA-N 2 2 268.317 -1.309 20 0 CAADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273070611 776188514 /nfs/dbraw/zinc/18/85/14/776188514.db2.gz YNLAFYIWPZFXBZ-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273070611 776188517 /nfs/dbraw/zinc/18/85/17/776188517.db2.gz YNLAFYIWPZFXBZ-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273070611 776188524 /nfs/dbraw/zinc/18/85/24/776188524.db2.gz YNLAFYIWPZFXBZ-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273070611 776188529 /nfs/dbraw/zinc/18/85/29/776188529.db2.gz YNLAFYIWPZFXBZ-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001273070410 776189049 /nfs/dbraw/zinc/18/90/49/776189049.db2.gz YNLAFYIWPZFXBZ-GRYCIOLGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001273070410 776189053 /nfs/dbraw/zinc/18/90/53/776189053.db2.gz YNLAFYIWPZFXBZ-GRYCIOLGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273070410 776189054 /nfs/dbraw/zinc/18/90/54/776189054.db2.gz YNLAFYIWPZFXBZ-GRYCIOLGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273070410 776189057 /nfs/dbraw/zinc/18/90/57/776189057.db2.gz YNLAFYIWPZFXBZ-GRYCIOLGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001128967215 776229384 /nfs/dbraw/zinc/22/93/84/776229384.db2.gz GWAUKLWAWHTJFP-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP C[NH+]1CCN(c2cc(-n3[nH]c(=O)nc3C[NH3+])ncn2)CC1 ZINC001168755851 776234466 /nfs/dbraw/zinc/23/44/66/776234466.db2.gz KGHVZSVUOMEOLN-UHFFFAOYSA-N 2 2 290.331 -1.027 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001128992303 776235811 /nfs/dbraw/zinc/23/58/11/776235811.db2.gz ZJEHXDVQIJYKMB-QMMMGPOBSA-N 2 2 296.331 -1.369 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001128992303 776235814 /nfs/dbraw/zinc/23/58/14/776235814.db2.gz ZJEHXDVQIJYKMB-QMMMGPOBSA-N 2 2 296.331 -1.369 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001128992302 776236026 /nfs/dbraw/zinc/23/60/26/776236026.db2.gz ZJEHXDVQIJYKMB-MRVPVSSYSA-N 2 2 296.331 -1.369 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001128992302 776236032 /nfs/dbraw/zinc/23/60/32/776236032.db2.gz ZJEHXDVQIJYKMB-MRVPVSSYSA-N 2 2 296.331 -1.369 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+][C@H]1CCNC1=O ZINC001128992306 776236234 /nfs/dbraw/zinc/23/62/34/776236234.db2.gz ZMACWUDNMRZHEA-JTQLQIEISA-N 2 2 265.317 -1.063 20 0 CAADLP COc1c(C2C[NH2+]C2)ncnc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168760491 776248392 /nfs/dbraw/zinc/24/83/92/776248392.db2.gz OJBIUAKPURFBKK-UHFFFAOYSA-N 2 2 277.288 -1.083 20 0 CAADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528029 776305814 /nfs/dbraw/zinc/30/58/14/776305814.db2.gz QGZZVGLJWMYBGI-IJLUTSLNSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079528029 776305824 /nfs/dbraw/zinc/30/58/24/776305824.db2.gz QGZZVGLJWMYBGI-IJLUTSLNSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079528029 776305834 /nfs/dbraw/zinc/30/58/34/776305834.db2.gz QGZZVGLJWMYBGI-IJLUTSLNSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079528029 776305841 /nfs/dbraw/zinc/30/58/41/776305841.db2.gz QGZZVGLJWMYBGI-IJLUTSLNSA-N 2 2 271.361 -1.254 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370247 776412821 /nfs/dbraw/zinc/41/28/21/776412821.db2.gz YSPKAHKBLAIUPO-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001082370247 776412826 /nfs/dbraw/zinc/41/28/26/776412826.db2.gz YSPKAHKBLAIUPO-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083023806 776429682 /nfs/dbraw/zinc/42/96/82/776429682.db2.gz PRAOPPQCSSRXCG-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083023806 776429687 /nfs/dbraw/zinc/42/96/87/776429687.db2.gz PRAOPPQCSSRXCG-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083023806 776429690 /nfs/dbraw/zinc/42/96/90/776429690.db2.gz PRAOPPQCSSRXCG-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083023806 776429694 /nfs/dbraw/zinc/42/96/94/776429694.db2.gz PRAOPPQCSSRXCG-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083035627 776431048 /nfs/dbraw/zinc/43/10/48/776431048.db2.gz XTALDHRZKAJLQT-YNEHKIRRSA-N 2 2 299.371 -1.779 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083035627 776431051 /nfs/dbraw/zinc/43/10/51/776431051.db2.gz XTALDHRZKAJLQT-YNEHKIRRSA-N 2 2 299.371 -1.779 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083035627 776431054 /nfs/dbraw/zinc/43/10/54/776431054.db2.gz XTALDHRZKAJLQT-YNEHKIRRSA-N 2 2 299.371 -1.779 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083035627 776431056 /nfs/dbraw/zinc/43/10/56/776431056.db2.gz XTALDHRZKAJLQT-YNEHKIRRSA-N 2 2 299.371 -1.779 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954342 776438008 /nfs/dbraw/zinc/43/80/08/776438008.db2.gz VNHWJUSCBQGURT-WCQGTBRESA-N 2 2 282.344 -1.495 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954342 776438015 /nfs/dbraw/zinc/43/80/15/776438015.db2.gz VNHWJUSCBQGURT-WCQGTBRESA-N 2 2 282.344 -1.495 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083998119 776439678 /nfs/dbraw/zinc/43/96/78/776439678.db2.gz VAKYSHYVHMSQGQ-FXAINCCUSA-N 2 2 282.344 -1.197 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083998119 776439680 /nfs/dbraw/zinc/43/96/80/776439680.db2.gz VAKYSHYVHMSQGQ-FXAINCCUSA-N 2 2 282.344 -1.197 20 0 CAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053165 776443847 /nfs/dbraw/zinc/44/38/47/776443847.db2.gz UVRYWYBDYCLKMJ-TUAOUCFPSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053165 776443853 /nfs/dbraw/zinc/44/38/53/776443853.db2.gz UVRYWYBDYCLKMJ-TUAOUCFPSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053165 776443855 /nfs/dbraw/zinc/44/38/55/776443855.db2.gz UVRYWYBDYCLKMJ-TUAOUCFPSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053165 776443860 /nfs/dbraw/zinc/44/38/60/776443860.db2.gz UVRYWYBDYCLKMJ-TUAOUCFPSA-N 2 2 298.387 -1.812 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084060296 776445255 /nfs/dbraw/zinc/44/52/55/776445255.db2.gz QJIBGEPMEMKPGC-MNOVXSKESA-N 2 2 268.317 -1.655 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084060296 776445258 /nfs/dbraw/zinc/44/52/58/776445258.db2.gz QJIBGEPMEMKPGC-MNOVXSKESA-N 2 2 268.317 -1.655 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059441 776445405 /nfs/dbraw/zinc/44/54/05/776445405.db2.gz IXIRWZJFNVGINZ-NEPJUHHUSA-N 2 2 282.344 -1.001 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059441 776445410 /nfs/dbraw/zinc/44/54/10/776445410.db2.gz IXIRWZJFNVGINZ-NEPJUHHUSA-N 2 2 282.344 -1.001 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084058317 776446063 /nfs/dbraw/zinc/44/60/63/776446063.db2.gz UVNCDLLDDYERJF-NEPJUHHUSA-N 2 2 271.361 -1.374 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084058078 776445893 /nfs/dbraw/zinc/44/58/93/776445893.db2.gz JBSZBSUOWBONSY-MNOVXSKESA-N 2 2 257.334 -1.764 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084058078 776445898 /nfs/dbraw/zinc/44/58/98/776445898.db2.gz JBSZBSUOWBONSY-MNOVXSKESA-N 2 2 257.334 -1.764 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084058317 776446059 /nfs/dbraw/zinc/44/60/59/776446059.db2.gz UVNCDLLDDYERJF-NEPJUHHUSA-N 2 2 271.361 -1.374 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084115528 776447420 /nfs/dbraw/zinc/44/74/20/776447420.db2.gz WIPBROWDUSDCMD-ZJUUUORDSA-N 2 2 254.290 -1.963 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084115528 776447422 /nfs/dbraw/zinc/44/74/22/776447422.db2.gz WIPBROWDUSDCMD-ZJUUUORDSA-N 2 2 254.290 -1.963 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115273 776447445 /nfs/dbraw/zinc/44/74/45/776447445.db2.gz FALBVJSCHVUEIM-MNOVXSKESA-N 2 2 268.317 -1.309 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115273 776447447 /nfs/dbraw/zinc/44/74/47/776447447.db2.gz FALBVJSCHVUEIM-MNOVXSKESA-N 2 2 268.317 -1.309 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084251991 776451755 /nfs/dbraw/zinc/45/17/55/776451755.db2.gz BAPNNLXCWAAKEC-JHJVBQTASA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084251991 776451748 /nfs/dbraw/zinc/45/17/48/776451748.db2.gz BAPNNLXCWAAKEC-JHJVBQTASA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084251991 776451751 /nfs/dbraw/zinc/45/17/51/776451751.db2.gz BAPNNLXCWAAKEC-JHJVBQTASA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084251991 776451754 /nfs/dbraw/zinc/45/17/54/776451754.db2.gz BAPNNLXCWAAKEC-JHJVBQTASA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084830028 776461403 /nfs/dbraw/zinc/46/14/03/776461403.db2.gz HWWCSUSWKYIDNN-GRYCIOLGSA-N 2 2 280.372 -1.044 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084830028 776461405 /nfs/dbraw/zinc/46/14/05/776461405.db2.gz HWWCSUSWKYIDNN-GRYCIOLGSA-N 2 2 280.372 -1.044 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001084830028 776461409 /nfs/dbraw/zinc/46/14/09/776461409.db2.gz HWWCSUSWKYIDNN-GRYCIOLGSA-N 2 2 280.372 -1.044 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001084830028 776461413 /nfs/dbraw/zinc/46/14/13/776461413.db2.gz HWWCSUSWKYIDNN-GRYCIOLGSA-N 2 2 280.372 -1.044 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084830029 776461461 /nfs/dbraw/zinc/46/14/61/776461461.db2.gz HWWCSUSWKYIDNN-IJLUTSLNSA-N 2 2 280.372 -1.044 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084830029 776461463 /nfs/dbraw/zinc/46/14/63/776461463.db2.gz HWWCSUSWKYIDNN-IJLUTSLNSA-N 2 2 280.372 -1.044 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001084830029 776461464 /nfs/dbraw/zinc/46/14/64/776461464.db2.gz HWWCSUSWKYIDNN-IJLUTSLNSA-N 2 2 280.372 -1.044 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001084830029 776461466 /nfs/dbraw/zinc/46/14/66/776461466.db2.gz HWWCSUSWKYIDNN-IJLUTSLNSA-N 2 2 280.372 -1.044 20 0 CAADLP C[C@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000821344934 776465932 /nfs/dbraw/zinc/46/59/32/776465932.db2.gz ASJMRNVNZOJDKR-JTQLQIEISA-N 2 2 265.379 -1.025 20 0 CAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099871690 776465953 /nfs/dbraw/zinc/46/59/53/776465953.db2.gz JGUYKBCHXSGAGO-QWRGUYRKSA-N 2 2 298.387 -1.493 20 0 CAADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531595 776486782 /nfs/dbraw/zinc/48/67/82/776486782.db2.gz WBPVNJSGVLUGAO-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531595 776486788 /nfs/dbraw/zinc/48/67/88/776486788.db2.gz WBPVNJSGVLUGAO-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531595 776486794 /nfs/dbraw/zinc/48/67/94/776486794.db2.gz WBPVNJSGVLUGAO-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531595 776486802 /nfs/dbraw/zinc/48/68/02/776486802.db2.gz WBPVNJSGVLUGAO-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000828578020 776488225 /nfs/dbraw/zinc/48/82/25/776488225.db2.gz WAWPAZHFFMLJBR-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000828578020 776488229 /nfs/dbraw/zinc/48/82/29/776488229.db2.gz WAWPAZHFFMLJBR-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000828578019 776488562 /nfs/dbraw/zinc/48/85/62/776488562.db2.gz WAWPAZHFFMLJBR-XQQFMLRXSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000828578019 776488564 /nfs/dbraw/zinc/48/85/64/776488564.db2.gz WAWPAZHFFMLJBR-XQQFMLRXSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099986083 776490695 /nfs/dbraw/zinc/49/06/95/776490695.db2.gz HUJQINYECMHQTF-NXEZZACHSA-N 2 2 272.349 -2.025 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099986083 776490701 /nfs/dbraw/zinc/49/07/01/776490701.db2.gz HUJQINYECMHQTF-NXEZZACHSA-N 2 2 272.349 -2.025 20 0 CAADLP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001156144861 776513177 /nfs/dbraw/zinc/51/31/77/776513177.db2.gz GONPBRWBFNOCBC-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001156144861 776513182 /nfs/dbraw/zinc/51/31/82/776513182.db2.gz GONPBRWBFNOCBC-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001156144856 776513420 /nfs/dbraw/zinc/51/34/20/776513420.db2.gz GONPBRWBFNOCBC-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001156144856 776513423 /nfs/dbraw/zinc/51/34/23/776513423.db2.gz GONPBRWBFNOCBC-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP CS(=O)(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066746 776519996 /nfs/dbraw/zinc/51/99/96/776519996.db2.gz HUCOMWUIBZVHJU-MRVPVSSYSA-N 2 2 297.340 -1.072 20 0 CAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnc(Cl)nn1 ZINC001169070902 776520191 /nfs/dbraw/zinc/52/01/91/776520191.db2.gz FLQHGPCENAKSMD-RXMQYKEDSA-N 2 2 255.669 -1.032 20 0 CAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001169118401 776521561 /nfs/dbraw/zinc/52/15/61/776521561.db2.gz JBIGJYOYJRPCFL-JXUBOQSCSA-N 2 2 254.334 -1.070 20 0 CAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001169118401 776521568 /nfs/dbraw/zinc/52/15/68/776521568.db2.gz JBIGJYOYJRPCFL-JXUBOQSCSA-N 2 2 254.334 -1.070 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205574 776523793 /nfs/dbraw/zinc/52/37/93/776523793.db2.gz ZVJMDQOLGJJRST-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP NC(=O)[C@H](CO)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001169329495 776527085 /nfs/dbraw/zinc/52/70/85/776527085.db2.gz XVSBCWFIXIPENX-VIFPVBQESA-N 2 2 265.317 -1.251 20 0 CAADLP NC(=O)[C@@H](CO)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001169329494 776527576 /nfs/dbraw/zinc/52/75/76/776527576.db2.gz XVSBCWFIXIPENX-SECBINFHSA-N 2 2 265.317 -1.251 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100132381 776552860 /nfs/dbraw/zinc/55/28/60/776552860.db2.gz SLEWZWXHZNTLLC-QWRGUYRKSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100132381 776552865 /nfs/dbraw/zinc/55/28/65/776552865.db2.gz SLEWZWXHZNTLLC-QWRGUYRKSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100132381 776552868 /nfs/dbraw/zinc/55/28/68/776552868.db2.gz SLEWZWXHZNTLLC-QWRGUYRKSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100132381 776552872 /nfs/dbraw/zinc/55/28/72/776552872.db2.gz SLEWZWXHZNTLLC-QWRGUYRKSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100132380 776552897 /nfs/dbraw/zinc/55/28/97/776552897.db2.gz SLEWZWXHZNTLLC-MNOVXSKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100132380 776552901 /nfs/dbraw/zinc/55/29/01/776552901.db2.gz SLEWZWXHZNTLLC-MNOVXSKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100132380 776552904 /nfs/dbraw/zinc/55/29/04/776552904.db2.gz SLEWZWXHZNTLLC-MNOVXSKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100132380 776552907 /nfs/dbraw/zinc/55/29/07/776552907.db2.gz SLEWZWXHZNTLLC-MNOVXSKESA-N 2 2 286.376 -1.637 20 0 CAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109977402 776553677 /nfs/dbraw/zinc/55/36/77/776553677.db2.gz HWHAVHNIYZWDSW-WOPDTQHZSA-N 2 2 298.387 -1.229 20 0 CAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109977402 776553688 /nfs/dbraw/zinc/55/36/88/776553688.db2.gz HWHAVHNIYZWDSW-WOPDTQHZSA-N 2 2 298.387 -1.229 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H](O)C[NH3+] ZINC001157082331 776554191 /nfs/dbraw/zinc/55/41/91/776554191.db2.gz LFFQHJYZTJRSQV-ZJUUUORDSA-N 2 2 284.316 -1.290 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H](O)C[NH3+] ZINC001157082331 776554189 /nfs/dbraw/zinc/55/41/89/776554189.db2.gz LFFQHJYZTJRSQV-ZJUUUORDSA-N 2 2 284.316 -1.290 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157716526 776599755 /nfs/dbraw/zinc/59/97/55/776599755.db2.gz PAYJUEABDNUZIC-FIQHERPVSA-N 3 2 268.361 -1.617 20 0 CAADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001157717336 776599941 /nfs/dbraw/zinc/59/99/41/776599941.db2.gz ZNGSWDGLGHBUAV-FYBVGQRMSA-N 2 2 259.281 -1.211 20 0 CAADLP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157844107 776619443 /nfs/dbraw/zinc/61/94/43/776619443.db2.gz VCWATEXZUYWYMC-CIUDSAMLSA-N 2 2 267.337 -1.345 20 0 CAADLP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157844110 776619718 /nfs/dbraw/zinc/61/97/18/776619718.db2.gz VCWATEXZUYWYMC-YIZRAAEISA-N 2 2 267.337 -1.345 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129527000 776621543 /nfs/dbraw/zinc/62/15/43/776621543.db2.gz WVLWBLOSACOQCO-UHFFFAOYSA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129527000 776621548 /nfs/dbraw/zinc/62/15/48/776621548.db2.gz WVLWBLOSACOQCO-UHFFFAOYSA-N 2 2 281.364 -1.100 20 0 CAADLP O=C(N1CC[C@H](CO)[C@H](O)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157903804 776638533 /nfs/dbraw/zinc/63/85/33/776638533.db2.gz HJGXSFHHTMPZSG-XZUYRWCXSA-N 2 2 269.345 -1.860 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157903286 776640363 /nfs/dbraw/zinc/64/03/63/776640363.db2.gz FCBHPNKOOGNLPT-JMJZKYOTSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157903289 776640428 /nfs/dbraw/zinc/64/04/28/776640428.db2.gz FCBHPNKOOGNLPT-LSJOCFKGSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157903284 776640561 /nfs/dbraw/zinc/64/05/61/776640561.db2.gz FCBHPNKOOGNLPT-INTQDDNPSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157903291 776640659 /nfs/dbraw/zinc/64/06/59/776640659.db2.gz FCBHPNKOOGNLPT-MIMYLULJSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@H](CO)[C@H](O)C2)CC[NH2+]CC1 ZINC001157905373 776641076 /nfs/dbraw/zinc/64/10/76/776641076.db2.gz TZHRLBBUWZNCPA-NXEZZACHSA-N 2 2 257.334 -1.731 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@@H](CO)[C@H](O)C2)CC[NH2+]CC1 ZINC001157905375 776641299 /nfs/dbraw/zinc/64/12/99/776641299.db2.gz TZHRLBBUWZNCPA-VHSXEESVSA-N 2 2 257.334 -1.731 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC[C@@H]1O ZINC001157943495 776647795 /nfs/dbraw/zinc/64/77/95/776647795.db2.gz DJCUOSAICHEOOR-GMOBBJLQSA-N 2 2 257.334 -1.875 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934996 776647816 /nfs/dbraw/zinc/64/78/16/776647816.db2.gz PZRBWCNVCAJGCJ-MIMYLULJSA-N 2 2 268.317 -1.519 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC[C@H]1O ZINC001157943505 776647929 /nfs/dbraw/zinc/64/79/29/776647929.db2.gz DJCUOSAICHEOOR-UXCLJVHYSA-N 2 2 257.334 -1.875 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934989 776648255 /nfs/dbraw/zinc/64/82/55/776648255.db2.gz PZRBWCNVCAJGCJ-DVVUODLYSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934993 776649066 /nfs/dbraw/zinc/64/90/66/776649066.db2.gz PZRBWCNVCAJGCJ-INTQDDNPSA-N 2 2 268.317 -1.519 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@H]1O ZINC001157946962 776653393 /nfs/dbraw/zinc/65/33/93/776653393.db2.gz QCEPPFSNYJWTRI-AFCCXKIYSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001157946463 776653567 /nfs/dbraw/zinc/65/35/67/776653567.db2.gz NIGQLMCKQJJZFW-NTZNESFSSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[C@@H]1O ZINC001157948026 776654734 /nfs/dbraw/zinc/65/47/34/776654734.db2.gz YQTALQRRLMAOLG-FQEAEBOJSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[C@@H]1O ZINC001157948023 776654872 /nfs/dbraw/zinc/65/48/72/776654872.db2.gz YQTALQRRLMAOLG-BLUODKFWSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC[C@@H]1O ZINC001157946495 776655070 /nfs/dbraw/zinc/65/50/70/776655070.db2.gz NWLCRXVCWSQAFC-NTZNESFSSA-N 2 2 282.344 -1.129 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130400719 776655949 /nfs/dbraw/zinc/65/59/49/776655949.db2.gz FDVHCDVNDFKOKB-JTQLQIEISA-N 2 2 279.344 -1.103 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404122 776656668 /nfs/dbraw/zinc/65/66/68/776656668.db2.gz GPZJTDYSDYRRLT-SECBINFHSA-N 2 2 265.317 -1.363 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130484446 776657850 /nfs/dbraw/zinc/65/78/50/776657850.db2.gz NKDHDBNNTIIODP-SNVBAGLBSA-N 2 2 279.344 -1.103 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477827 776658052 /nfs/dbraw/zinc/65/80/52/776658052.db2.gz LSYBYJQEENECTO-SECBINFHSA-N 2 2 265.317 -1.363 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130484445 776658100 /nfs/dbraw/zinc/65/81/00/776658100.db2.gz NKDHDBNNTIIODP-JTQLQIEISA-N 2 2 279.344 -1.103 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001158006639 776662097 /nfs/dbraw/zinc/66/20/97/776662097.db2.gz LWEYKTSQAMTYHQ-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131640103 776697011 /nfs/dbraw/zinc/69/70/11/776697011.db2.gz XRXYKQKAZWVYEP-UHFFFAOYSA-N 2 2 296.331 -1.747 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001131641240 776697327 /nfs/dbraw/zinc/69/73/27/776697327.db2.gz KUPBLWVJSCLKGW-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822494 776704207 /nfs/dbraw/zinc/70/42/07/776704207.db2.gz PRNWTRKQIMEVOP-LBPRGKRZSA-N 2 2 298.387 -1.322 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131822494 776704213 /nfs/dbraw/zinc/70/42/13/776704213.db2.gz PRNWTRKQIMEVOP-LBPRGKRZSA-N 2 2 298.387 -1.322 20 0 CAADLP COC[C@H](O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079876 776712811 /nfs/dbraw/zinc/71/28/11/776712811.db2.gz QSYMBUDPWVJNRG-LLVKDONJSA-N 2 2 270.333 -1.014 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+][C@@H]1CCNC1=O ZINC001132079782 776713168 /nfs/dbraw/zinc/71/31/68/776713168.db2.gz MBVAXABJVIUMSR-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1 ZINC001158546791 776714738 /nfs/dbraw/zinc/71/47/38/776714738.db2.gz MBMHCCIVJWDRLC-ILOGHGLZSA-N 3 2 280.372 -1.345 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21 ZINC001158804237 776764769 /nfs/dbraw/zinc/76/47/69/776764769.db2.gz MVDAXXJMSVZOCJ-OPDFLTKYSA-N 2 2 280.372 -1.521 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21 ZINC001158804235 776764825 /nfs/dbraw/zinc/76/48/25/776764825.db2.gz MVDAXXJMSVZOCJ-NRWUCQMLSA-N 2 2 280.372 -1.521 20 0 CAADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001133415797 776778518 /nfs/dbraw/zinc/77/85/18/776778518.db2.gz OUWURUWGLUWSMW-LLVKDONJSA-N 2 2 298.391 -1.100 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866518 776793053 /nfs/dbraw/zinc/79/30/53/776793053.db2.gz MJHORKQAHLGGEK-NXEZZACHSA-N 2 2 296.375 -1.488 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866518 776793056 /nfs/dbraw/zinc/79/30/56/776793056.db2.gz MJHORKQAHLGGEK-NXEZZACHSA-N 2 2 296.375 -1.488 20 0 CAADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001133982674 776799670 /nfs/dbraw/zinc/79/96/70/776799670.db2.gz HBTGPEJQNXAQLN-VIFPVBQESA-N 2 2 269.353 -1.244 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134043004 776804290 /nfs/dbraw/zinc/80/42/90/776804290.db2.gz PVFPNTUAZBSISY-NXEZZACHSA-N 2 2 279.344 -1.025 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001134400725 776813102 /nfs/dbraw/zinc/81/31/02/776813102.db2.gz PFGHGBBDMAJKOM-GFCCVEGCSA-N 2 2 292.343 -1.084 20 0 CAADLP CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406829 776813378 /nfs/dbraw/zinc/81/33/78/776813378.db2.gz DBSUETGXPYWQCC-UHFFFAOYSA-N 2 2 253.306 -1.206 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001134401029 776813824 /nfs/dbraw/zinc/81/38/24/776813824.db2.gz UOVPPWHDERWTOO-ZETCQYMHSA-N 2 2 282.304 -1.759 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCC1 ZINC001134406955 776813919 /nfs/dbraw/zinc/81/39/19/776813919.db2.gz JZTBZLQGXMYBFN-UHFFFAOYSA-N 2 2 265.317 -1.110 20 0 CAADLP CN1CC[C@@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134397661 776814319 /nfs/dbraw/zinc/81/43/19/776814319.db2.gz RGRFPBWVPLAQOV-SNVBAGLBSA-N 2 2 265.317 -1.111 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397165 776814592 /nfs/dbraw/zinc/81/45/92/776814592.db2.gz KNPLFUFYMWBAAN-MRVPVSSYSA-N 2 2 253.306 -1.208 20 0 CAADLP CC[C@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001134396861 776814983 /nfs/dbraw/zinc/81/49/83/776814983.db2.gz GNGPHZIHDQDLFN-VIFPVBQESA-N 2 2 253.306 -1.078 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+][C@H]1CCCNC1=O ZINC001134393517 776815075 /nfs/dbraw/zinc/81/50/75/776815075.db2.gz NZLYCUUOIBLUMO-JTQLQIEISA-N 2 2 265.317 -1.063 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCN1CCNC1=O ZINC001134396596 776815396 /nfs/dbraw/zinc/81/53/96/776815396.db2.gz AUUCZOFMJYQGSZ-UHFFFAOYSA-N 2 2 280.332 -1.317 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001134394083 776815689 /nfs/dbraw/zinc/81/56/89/776815689.db2.gz XIQIDLWDYVMHTO-VIFPVBQESA-N 2 2 279.300 -1.537 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001134393518 776816169 /nfs/dbraw/zinc/81/61/69/776816169.db2.gz NZLYCUUOIBLUMO-SNVBAGLBSA-N 2 2 265.317 -1.063 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+][C@H]1CCNC1=O ZINC001134407089 776816713 /nfs/dbraw/zinc/81/67/13/776816713.db2.gz QFCUWICLGWFVAO-VIFPVBQESA-N 2 2 251.290 -1.454 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134612982 776822071 /nfs/dbraw/zinc/82/20/71/776822071.db2.gz GARUBPJSRJTBLY-UHFFFAOYSA-N 2 2 298.387 -1.178 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])CCO1 ZINC001118219339 779554748 /nfs/dbraw/zinc/55/47/48/779554748.db2.gz WPOHOKHBEARVHT-SECBINFHSA-N 2 2 258.322 -2.102 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CCOC ZINC001118195062 779552035 /nfs/dbraw/zinc/55/20/35/779552035.db2.gz YDCOVUGFIOPWOP-SNVBAGLBSA-N 2 2 273.333 -1.414 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CCOC ZINC001118195054 779552166 /nfs/dbraw/zinc/55/21/66/779552166.db2.gz YDCOVUGFIOPWOP-JTQLQIEISA-N 2 2 273.333 -1.414 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)C[NH3+])CCO1 ZINC001118219339 779554744 /nfs/dbraw/zinc/55/47/44/779554744.db2.gz WPOHOKHBEARVHT-SECBINFHSA-N 2 2 258.322 -2.102 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118219112 779555088 /nfs/dbraw/zinc/55/50/88/779555088.db2.gz POJDQTLEHYZMEG-VHSXEESVSA-N 2 2 256.350 -1.092 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118219112 779555091 /nfs/dbraw/zinc/55/50/91/779555091.db2.gz POJDQTLEHYZMEG-VHSXEESVSA-N 2 2 256.350 -1.092 20 0 CAADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001118263710 779558248 /nfs/dbraw/zinc/55/82/48/779558248.db2.gz LIGNVSDMWLGQRW-ZDUSSCGKSA-N 3 2 281.404 -1.602 20 0 CAADLP CN(CCC[NH3+])C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001118485431 779570536 /nfs/dbraw/zinc/57/05/36/779570536.db2.gz BOOPQTKAVAKXMF-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC001118547935 779574677 /nfs/dbraw/zinc/57/46/77/779574677.db2.gz ALIJEWNAYYTEMK-UHFFFAOYSA-N 2 2 291.355 -1.053 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118925808 779598067 /nfs/dbraw/zinc/59/80/67/779598067.db2.gz YHAMETRTZOPKKU-QWRGUYRKSA-N 2 2 295.343 -1.508 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C[NH3+])OC ZINC001119298000 779611303 /nfs/dbraw/zinc/61/13/03/779611303.db2.gz YOMPBRSYCACBEE-BDAKNGLRSA-N 2 2 259.306 -1.676 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C[NH3+])OC ZINC001119298001 779611346 /nfs/dbraw/zinc/61/13/46/779611346.db2.gz YOMPBRSYCACBEE-IUCAKERBSA-N 2 2 259.306 -1.676 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)NC(C[NH3+])C[NH3+])CC1 ZINC001119682519 779623550 /nfs/dbraw/zinc/62/35/50/779623550.db2.gz LYWAWEUHIPFGTG-SNVBAGLBSA-N 3 2 257.382 -1.585 20 0 CAADLP CCN1CCN(C(=O)[C@@H](C)NC(C[NH3+])C[NH3+])CC1 ZINC001119682519 779623552 /nfs/dbraw/zinc/62/35/52/779623552.db2.gz LYWAWEUHIPFGTG-SNVBAGLBSA-N 2 2 257.382 -1.585 20 0 CAADLP C[NH2+]CCOCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120551716 779641868 /nfs/dbraw/zinc/64/18/68/779641868.db2.gz ZSIBPSFGQXASDY-UHFFFAOYSA-N 3 2 287.408 -1.055 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001121997821 779655334 /nfs/dbraw/zinc/65/53/34/779655334.db2.gz IXFWLQSBOCOXGP-NXEZZACHSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001121997821 779655340 /nfs/dbraw/zinc/65/53/40/779655340.db2.gz IXFWLQSBOCOXGP-NXEZZACHSA-N 2 2 259.350 -1.079 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001122078996 779656041 /nfs/dbraw/zinc/65/60/41/779656041.db2.gz FBPPBFIAJCFXEC-ATOIVCMTSA-N 2 2 255.318 -1.676 20 0 CAADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001122448553 779668866 /nfs/dbraw/zinc/66/88/66/779668866.db2.gz NXPMKBUHTZDOMB-QWRGUYRKSA-N 2 2 259.350 -1.126 20 0 CAADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001122448553 779668868 /nfs/dbraw/zinc/66/88/68/779668868.db2.gz NXPMKBUHTZDOMB-QWRGUYRKSA-N 2 2 259.350 -1.126 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161237579 779686845 /nfs/dbraw/zinc/68/68/45/779686845.db2.gz MSMNAHGEWNHVTO-SUNKGSAMSA-N 2 2 296.371 -1.747 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161237580 779688232 /nfs/dbraw/zinc/68/82/32/779688232.db2.gz MSMNAHGEWNHVTO-UHIISALHSA-N 2 2 296.371 -1.747 20 0 CAADLP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001125214979 779723635 /nfs/dbraw/zinc/72/36/35/779723635.db2.gz YKMXGOHJNOORFI-LBPRGKRZSA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001125214979 779723641 /nfs/dbraw/zinc/72/36/41/779723641.db2.gz YKMXGOHJNOORFI-LBPRGKRZSA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001125214978 779723725 /nfs/dbraw/zinc/72/37/25/779723725.db2.gz YKMXGOHJNOORFI-GFCCVEGCSA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001125214978 779723731 /nfs/dbraw/zinc/72/37/31/779723731.db2.gz YKMXGOHJNOORFI-GFCCVEGCSA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214617 779724516 /nfs/dbraw/zinc/72/45/16/779724516.db2.gz VFCLMVLDKOUQCM-NSHDSACASA-N 2 2 282.348 -1.649 20 0 CAADLP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214617 779724517 /nfs/dbraw/zinc/72/45/17/779724517.db2.gz VFCLMVLDKOUQCM-NSHDSACASA-N 2 2 282.348 -1.649 20 0 CAADLP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213304 779724713 /nfs/dbraw/zinc/72/47/13/779724713.db2.gz DIDQBIBRNMBHJI-GFCCVEGCSA-N 2 2 296.375 -1.166 20 0 CAADLP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213304 779724719 /nfs/dbraw/zinc/72/47/19/779724719.db2.gz DIDQBIBRNMBHJI-GFCCVEGCSA-N 2 2 296.375 -1.166 20 0 CAADLP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213305 779724786 /nfs/dbraw/zinc/72/47/86/779724786.db2.gz DIDQBIBRNMBHJI-LBPRGKRZSA-N 2 2 296.375 -1.166 20 0 CAADLP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213305 779724789 /nfs/dbraw/zinc/72/47/89/779724789.db2.gz DIDQBIBRNMBHJI-LBPRGKRZSA-N 2 2 296.375 -1.166 20 0 CAADLP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214616 779724862 /nfs/dbraw/zinc/72/48/62/779724862.db2.gz VFCLMVLDKOUQCM-LLVKDONJSA-N 2 2 282.348 -1.649 20 0 CAADLP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214616 779724872 /nfs/dbraw/zinc/72/48/72/779724872.db2.gz VFCLMVLDKOUQCM-LLVKDONJSA-N 2 2 282.348 -1.649 20 0 CAADLP [NH3+]CCN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000037039669 779739515 /nfs/dbraw/zinc/73/95/15/779739515.db2.gz BRGLPPXYEOVTDG-UHFFFAOYSA-N 2 2 256.350 -1.579 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001142590995 779760364 /nfs/dbraw/zinc/76/03/64/779760364.db2.gz XHULFJIYEMCVJK-GARJFASQSA-N 2 2 256.354 -2.154 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001142590995 779760370 /nfs/dbraw/zinc/76/03/70/779760370.db2.gz XHULFJIYEMCVJK-GARJFASQSA-N 2 2 256.354 -2.154 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001151147166 779804195 /nfs/dbraw/zinc/80/41/95/779804195.db2.gz GGEWLZMKLZPBFT-UHFFFAOYSA-N 2 2 293.331 -1.481 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001151147780 779804224 /nfs/dbraw/zinc/80/42/24/779804224.db2.gz WDZPEINUPKKODQ-UHFFFAOYSA-N 2 2 278.320 -1.379 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151737457 779813609 /nfs/dbraw/zinc/81/36/09/779813609.db2.gz DJGAKCVQWMOSMA-NSHDSACASA-N 2 2 283.332 -1.004 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151737457 779813616 /nfs/dbraw/zinc/81/36/16/779813616.db2.gz DJGAKCVQWMOSMA-NSHDSACASA-N 2 2 283.332 -1.004 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001151749291 779815837 /nfs/dbraw/zinc/81/58/37/779815837.db2.gz UNPZPRIGPDASBA-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001151749291 779815840 /nfs/dbraw/zinc/81/58/40/779815840.db2.gz UNPZPRIGPDASBA-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001151817100 779816872 /nfs/dbraw/zinc/81/68/72/779816872.db2.gz KSWHTMSOOPWGBG-PWSUYJOCSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001151817100 779816882 /nfs/dbraw/zinc/81/68/82/779816882.db2.gz KSWHTMSOOPWGBG-PWSUYJOCSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001151817099 779816974 /nfs/dbraw/zinc/81/69/74/779816974.db2.gz KSWHTMSOOPWGBG-JQWIXIFHSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001151817099 779816983 /nfs/dbraw/zinc/81/69/83/779816983.db2.gz KSWHTMSOOPWGBG-JQWIXIFHSA-N 2 2 257.334 -1.452 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]2NCN[C@@H]21 ZINC001151909984 779817285 /nfs/dbraw/zinc/81/72/85/779817285.db2.gz OCBNFMPXYQZXDO-UTUOFQBUSA-N 2 2 287.327 -1.533 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]2NCN[C@H]21 ZINC001152208657 779819642 /nfs/dbraw/zinc/81/96/42/779819642.db2.gz ACYNOLSEECLKMR-TUAOUCFPSA-N 2 2 287.327 -1.533 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H]2NCN[C@@H]21 ZINC001152208658 779819754 /nfs/dbraw/zinc/81/97/54/779819754.db2.gz ACYNOLSEECLKMR-UTUOFQBUSA-N 2 2 287.327 -1.533 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001153500047 779839981 /nfs/dbraw/zinc/83/99/81/779839981.db2.gz DCYHWTILVMZMTG-UHFFFAOYSA-N 2 2 293.327 -1.262 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCn1cncn1 ZINC001153500500 779840057 /nfs/dbraw/zinc/84/00/57/779840057.db2.gz MUFAXAPBKDXHJB-UHFFFAOYSA-N 2 2 263.305 -1.119 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001153500038 779840219 /nfs/dbraw/zinc/84/02/19/779840219.db2.gz CTAIMNUPBOBRCE-GFCCVEGCSA-N 2 2 292.343 -1.154 20 0 CAADLP CCNC(=O)CN(C)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157673054 779909214 /nfs/dbraw/zinc/90/92/14/779909214.db2.gz GJQPNTVIPBVUMH-UHFFFAOYSA-N 2 2 256.350 -1.078 20 0 CAADLP NC(=O)[C@H]1CCCN1c1cc(N(CC[NH3+])CCO)nc[nH+]1 ZINC001155952619 779880013 /nfs/dbraw/zinc/88/00/13/779880013.db2.gz DINQTTKWENRCSA-SNVBAGLBSA-N 2 2 294.359 -1.312 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001156144746 779882501 /nfs/dbraw/zinc/88/25/01/779882501.db2.gz FZRLQMBORVTIOQ-LLVKDONJSA-N 2 2 283.332 -1.004 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001156144746 779882507 /nfs/dbraw/zinc/88/25/07/779882507.db2.gz FZRLQMBORVTIOQ-LLVKDONJSA-N 2 2 283.332 -1.004 20 0 CAADLP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144213 779883264 /nfs/dbraw/zinc/88/32/64/779883264.db2.gz BOOZHBVDFVOICB-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144213 779883270 /nfs/dbraw/zinc/88/32/70/779883270.db2.gz BOOZHBVDFVOICB-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001157081568 779894664 /nfs/dbraw/zinc/89/46/64/779894664.db2.gz ASWYNOZQNNIJLH-DCAQKATOSA-N 2 2 296.327 -1.420 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001157081568 779894672 /nfs/dbraw/zinc/89/46/72/779894672.db2.gz ASWYNOZQNNIJLH-DCAQKATOSA-N 2 2 296.327 -1.420 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001157081570 779895237 /nfs/dbraw/zinc/89/52/37/779895237.db2.gz ASWYNOZQNNIJLH-OUAUKWLOSA-N 2 2 296.327 -1.420 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001157081570 779895242 /nfs/dbraw/zinc/89/52/42/779895242.db2.gz ASWYNOZQNNIJLH-OUAUKWLOSA-N 2 2 296.327 -1.420 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257337 779897915 /nfs/dbraw/zinc/89/79/15/779897915.db2.gz OTWRSDBEWALKQO-UHFFFAOYSA-N 2 2 296.331 -1.367 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001157334970 779899733 /nfs/dbraw/zinc/89/97/33/779899733.db2.gz BHUNHLANEUGFTP-QWRGUYRKSA-N 2 2 286.376 -1.587 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001157334970 779899736 /nfs/dbraw/zinc/89/97/36/779899736.db2.gz BHUNHLANEUGFTP-QWRGUYRKSA-N 2 2 286.376 -1.587 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001157334962 779899767 /nfs/dbraw/zinc/89/97/67/779899767.db2.gz BHUNHLANEUGFTP-MNOVXSKESA-N 2 2 286.376 -1.587 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001157334962 779899769 /nfs/dbraw/zinc/89/97/69/779899769.db2.gz BHUNHLANEUGFTP-MNOVXSKESA-N 2 2 286.376 -1.587 20 0 CAADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157423754 779902967 /nfs/dbraw/zinc/90/29/67/779902967.db2.gz UUDHIIVBVVFILQ-JTQLQIEISA-N 2 2 279.344 -1.591 20 0 CAADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2[NH2+]CC[C@@H]2O)n[nH]1 ZINC001157439303 779902984 /nfs/dbraw/zinc/90/29/84/779902984.db2.gz DHZLCTCOKRKPMA-XPUUQOCRSA-N 2 2 252.278 -1.333 20 0 CAADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[C@@H](O)C[NH2+]2)n[nH]1 ZINC001157439915 779903519 /nfs/dbraw/zinc/90/35/19/779903519.db2.gz QBCMSOLOYSNXQH-RNFRBKRXSA-N 2 2 252.278 -1.333 20 0 CAADLP CCOC(=O)c1c[nH]nc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157449151 779903557 /nfs/dbraw/zinc/90/35/57/779903557.db2.gz UHKWCRGSWCTPNW-CBAPKCEASA-N 2 2 281.316 -1.251 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157498217 779905721 /nfs/dbraw/zinc/90/57/21/779905721.db2.gz XTQIMPBTKPOTHA-SDDRHHMPSA-N 2 2 296.371 -1.617 20 0 CAADLP CNC(=O)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157495114 779905794 /nfs/dbraw/zinc/90/57/94/779905794.db2.gz FRZQNGFADGCQQD-RISCZKNCSA-N 2 2 280.372 -1.078 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157507683 779906445 /nfs/dbraw/zinc/90/64/45/779906445.db2.gz KQJZIFNGTJFWAY-BDAKNGLRSA-N 2 2 256.306 -1.414 20 0 CAADLP O=C(N1CCn2cnnc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157506871 779906613 /nfs/dbraw/zinc/90/66/13/779906613.db2.gz ADFIVSWHNSGILN-JOYOIKCWSA-N 2 2 262.317 -1.428 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157507666 779906885 /nfs/dbraw/zinc/90/68/85/779906885.db2.gz KKIMIZUVQSLCPS-ZWNOBZJWSA-N 2 2 282.344 -1.152 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157507663 779906892 /nfs/dbraw/zinc/90/68/92/779906892.db2.gz KKIMIZUVQSLCPS-MFKMUULPSA-N 2 2 282.344 -1.152 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2cnnc2C1 ZINC001157507738 779906955 /nfs/dbraw/zinc/90/69/55/779906955.db2.gz LZRRCOVQTBAWLR-SECBINFHSA-N 2 2 261.289 -1.087 20 0 CAADLP [NH3+]C1(C(=O)N2CCn3cnnc3C2)CC[NH2+]CC1 ZINC001157508666 779907176 /nfs/dbraw/zinc/90/71/76/779907176.db2.gz VZACSBFEPPHNPU-UHFFFAOYSA-N 2 2 250.306 -1.299 20 0 CAADLP O=C(N1CC(N2CC(F)C2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157525391 779907880 /nfs/dbraw/zinc/90/78/80/779907880.db2.gz BEHZCKVQAJLVDU-NOZJJQNGSA-N 2 2 268.336 -1.198 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157531815 779908460 /nfs/dbraw/zinc/90/84/60/779908460.db2.gz RLFVRVHMDZWNQF-OUAUKWLOSA-N 2 2 283.307 -1.036 20 0 CAADLP CC1([NH3+])CN(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001157652003 779909351 /nfs/dbraw/zinc/90/93/51/779909351.db2.gz VSEXGKNTTWVIPA-JTQLQIEISA-N 3 2 255.366 -1.704 20 0 CAADLP CCNC(=O)CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157673007 779909453 /nfs/dbraw/zinc/90/94/53/779909453.db2.gz DQNIURQDICHHFB-JTQLQIEISA-N 2 2 267.333 -1.116 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157721389 779912323 /nfs/dbraw/zinc/91/23/23/779912323.db2.gz XIDIBUXKHVBURG-STQMWFEESA-N 3 2 299.419 -1.816 20 0 CAADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001157729097 779912548 /nfs/dbraw/zinc/91/25/48/779912548.db2.gz CSBWCGVHKHRKJY-GZMMTYOYSA-N 2 2 285.327 -1.251 20 0 CAADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1[NH3+] ZINC001157792574 779913317 /nfs/dbraw/zinc/91/33/17/779913317.db2.gz AKBPMHIOWYPEBX-CSMHCCOUSA-N 2 2 253.310 -1.735 20 0 CAADLP O=C(N1CC[C@@H](O)[C@H](F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157855682 779915148 /nfs/dbraw/zinc/91/51/48/779915148.db2.gz PLFJXXXURMKSGO-DNRKLUKYSA-N 2 2 257.309 -1.131 20 0 CAADLP O=C(N1CC[C@@H](O)[C@H](F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157855683 779915151 /nfs/dbraw/zinc/91/51/51/779915151.db2.gz PLFJXXXURMKSGO-XNDJQWLSSA-N 2 2 257.309 -1.131 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157902411 779916599 /nfs/dbraw/zinc/91/65/99/779916599.db2.gz AZEOSFGAJZQIDM-KKJSVHSVSA-N 2 2 269.345 -1.862 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC[NH2+]CC1 ZINC001157934733 779918434 /nfs/dbraw/zinc/91/84/34/779918434.db2.gz ODOYJVBWDXNATC-NXEZZACHSA-N 2 2 257.334 -1.731 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935146 779918544 /nfs/dbraw/zinc/91/85/44/779918544.db2.gz SFQHKMQKHMYNJE-USWWRNFRSA-N 2 2 282.344 -1.508 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@H](O)[C@H](CO)C2)CC[NH2+]CC1 ZINC001157934734 779918705 /nfs/dbraw/zinc/91/87/05/779918705.db2.gz ODOYJVBWDXNATC-UWVGGRQHSA-N 2 2 257.334 -1.731 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934982 779918770 /nfs/dbraw/zinc/91/87/70/779918770.db2.gz PUTPVNUKPMWSPU-MJDLHHQISA-N 2 2 269.345 -1.862 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC[NH2+]CC1 ZINC001157934736 779918830 /nfs/dbraw/zinc/91/88/30/779918830.db2.gz ODOYJVBWDXNATC-ZJUUUORDSA-N 2 2 257.334 -1.731 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[C@H]1O ZINC001157944225 779919743 /nfs/dbraw/zinc/91/97/43/779919743.db2.gz ITOQHNGZQOISQL-OXHZDVMGSA-N 2 2 283.372 -1.470 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1O ZINC001157945380 779920262 /nfs/dbraw/zinc/92/02/62/779920262.db2.gz LGEQYHJQKNCBMP-BYNIDDHOSA-N 2 2 283.372 -1.472 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[C@@H]1O ZINC001157944230 779920316 /nfs/dbraw/zinc/92/03/16/779920316.db2.gz ITOQHNGZQOISQL-WVWOOGAGSA-N 2 2 283.372 -1.470 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[C@@H]1O ZINC001157947258 779920792 /nfs/dbraw/zinc/92/07/92/779920792.db2.gz RZZVQNQMNINSHC-WDCWCFNPSA-N 2 2 257.334 -1.733 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157945907 779921112 /nfs/dbraw/zinc/92/11/12/779921112.db2.gz MEWRSSMQKNPWMN-OBJOEFQTSA-N 2 2 296.371 -1.118 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@H]1O ZINC001157945394 779921220 /nfs/dbraw/zinc/92/12/20/779921220.db2.gz LGEQYHJQKNCBMP-YCGPCKTQSA-N 2 2 283.372 -1.472 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[C@@H]1O ZINC001157947255 779921416 /nfs/dbraw/zinc/92/14/16/779921416.db2.gz RZZVQNQMNINSHC-FYLLDIAZSA-N 2 2 257.334 -1.733 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157946042 779921461 /nfs/dbraw/zinc/92/14/61/779921461.db2.gz MEWRSSMQKNPWMN-SCRDCRAPSA-N 2 2 296.371 -1.118 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1O ZINC001157945384 779921471 /nfs/dbraw/zinc/92/14/71/779921471.db2.gz LGEQYHJQKNCBMP-HNRZYHPDSA-N 2 2 283.372 -1.472 20 0 CAADLP Cc1nc(CCN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])no1 ZINC001157982721 779922058 /nfs/dbraw/zinc/92/20/58/779922058.db2.gz GKVJWXPTRTZJFG-IUCAKERBSA-N 2 2 253.306 -1.074 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H](O)C[NH3+] ZINC001157998036 779923253 /nfs/dbraw/zinc/92/32/53/779923253.db2.gz COZYYXVVOOKKRI-IUCAKERBSA-N 2 2 259.306 -1.940 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1COC[NH2+]1 ZINC001157998420 779923384 /nfs/dbraw/zinc/92/33/84/779923384.db2.gz FKUGPEKWFIIZQZ-DTWKUNHWSA-N 2 2 257.290 -1.704 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157999066 779923447 /nfs/dbraw/zinc/92/34/47/779923447.db2.gz NPMNKHDBWXDUPD-BBBLOLIVSA-N 2 2 271.317 -1.927 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157999068 779923508 /nfs/dbraw/zinc/92/35/08/779923508.db2.gz NPMNKHDBWXDUPD-LPEHRKFASA-N 2 2 271.317 -1.927 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157998803 779923602 /nfs/dbraw/zinc/92/36/02/779923602.db2.gz HVDZJGAVQCTPKQ-WDEREUQCSA-N 3 2 286.376 -1.194 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157998915 779923685 /nfs/dbraw/zinc/92/36/85/779923685.db2.gz KMGVLRZQRDJHJG-GXFFZTMASA-N 2 2 284.360 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001158000499 779923731 /nfs/dbraw/zinc/92/37/31/779923731.db2.gz YMFCJPJTFSKGSN-NOOOWODRSA-N 2 2 297.355 -1.416 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999471 779923777 /nfs/dbraw/zinc/92/37/77/779923777.db2.gz RNVKITYZQKYHCZ-VXGBXAGGSA-N 3 2 298.387 -1.323 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999469 779923874 /nfs/dbraw/zinc/92/38/74/779923874.db2.gz RNVKITYZQKYHCZ-NWDGAFQWSA-N 3 2 298.387 -1.323 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157997654 779923959 /nfs/dbraw/zinc/92/39/59/779923959.db2.gz BPVQAJSDLMKCLE-MJVIPROJSA-N 2 2 297.355 -1.414 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157998970 779924002 /nfs/dbraw/zinc/92/40/02/779924002.db2.gz LOWUHQQMHZDQMZ-NXEZZACHSA-N 3 2 272.349 -1.584 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157998971 779924129 /nfs/dbraw/zinc/92/41/29/779924129.db2.gz LOWUHQQMHZDQMZ-UWVGGRQHSA-N 3 2 272.349 -1.584 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158014428 779924525 /nfs/dbraw/zinc/92/45/25/779924525.db2.gz LQJZDOLISOUXJS-GYSYKLTISA-N 2 2 285.388 -1.082 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNCC[NH3+] ZINC001158007537 779924641 /nfs/dbraw/zinc/92/46/41/779924641.db2.gz URKYAVVSFKEHFX-SECBINFHSA-N 2 2 258.322 -2.102 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158014437 779924739 /nfs/dbraw/zinc/92/47/39/779924739.db2.gz LQJZDOLISOUXJS-MISXGVKJSA-N 2 2 285.388 -1.082 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158014439 779924769 /nfs/dbraw/zinc/92/47/69/779924769.db2.gz LQJZDOLISOUXJS-WDMOLILDSA-N 2 2 285.388 -1.082 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001158007168 779925125 /nfs/dbraw/zinc/92/51/25/779925125.db2.gz QOCPSTRVXQQTHO-WDEREUQCSA-N 2 2 285.344 -1.272 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071054 779925146 /nfs/dbraw/zinc/92/51/46/779925146.db2.gz SPQHFSSCQYWLNH-VIFPVBQESA-N 2 2 295.347 -1.950 20 0 CAADLP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158070452 779925190 /nfs/dbraw/zinc/92/51/90/779925190.db2.gz IERLIYLQVDXYIR-WFASDCNBSA-N 3 2 294.399 -1.081 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNCC[NH3+] ZINC001158007718 779925234 /nfs/dbraw/zinc/92/52/34/779925234.db2.gz URKYAVVSFKEHFX-VIFPVBQESA-N 2 2 258.322 -2.102 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001158005890 779925260 /nfs/dbraw/zinc/92/52/60/779925260.db2.gz DULNZHHOFAOMSA-SKDRFNHKSA-N 2 2 270.333 -1.959 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001158007167 779925279 /nfs/dbraw/zinc/92/52/79/779925279.db2.gz QOCPSTRVXQQTHO-QWRGUYRKSA-N 2 2 285.344 -1.272 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158014435 779925297 /nfs/dbraw/zinc/92/52/97/779925297.db2.gz LQJZDOLISOUXJS-JTNHKYCSSA-N 2 2 285.388 -1.082 20 0 CAADLP O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)C1(F)C[NH2+]C1 ZINC001158093944 779925849 /nfs/dbraw/zinc/92/58/49/779925849.db2.gz YZNKXCDOJCWBFU-JTQLQIEISA-N 2 2 256.281 -2.012 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093066 779926083 /nfs/dbraw/zinc/92/60/83/779926083.db2.gz RHSSANMONJNHBC-CQSZACIVSA-N 3 2 295.387 -1.982 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091882 779926214 /nfs/dbraw/zinc/92/62/14/779926214.db2.gz JFKUJGQDCYQEDQ-CPCISQLKSA-N 2 2 294.319 -3.240 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093059 779926348 /nfs/dbraw/zinc/92/63/48/779926348.db2.gz RHSSANMONJNHBC-AWEZNQCLSA-N 3 2 295.387 -1.982 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077371 779926513 /nfs/dbraw/zinc/92/65/13/779926513.db2.gz UMKKTFMDPIKAEI-MNOVXSKESA-N 3 2 268.361 -1.343 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158100748 779927144 /nfs/dbraw/zinc/92/71/44/779927144.db2.gz BMWWLIGUSZJSRY-PTRXPTGYSA-N 3 2 267.333 -2.634 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161465 779927898 /nfs/dbraw/zinc/92/78/98/779927898.db2.gz VSXNJOMDNXTMQI-CABZTGNLSA-N 2 2 279.348 -1.186 20 0 CAADLP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158168329 779928788 /nfs/dbraw/zinc/92/87/88/779928788.db2.gz UMLGGHUMSJXETB-GFQSEFKGSA-N 3 2 280.372 -1.615 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168968 779929061 /nfs/dbraw/zinc/92/90/61/779929061.db2.gz LBERJPJZNXDMHU-VIFPVBQESA-N 2 2 279.348 -1.186 20 0 CAADLP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158168328 779929226 /nfs/dbraw/zinc/92/92/26/779929226.db2.gz UMLGGHUMSJXETB-CZXHOFHRSA-N 3 2 280.372 -1.615 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168649 779929506 /nfs/dbraw/zinc/92/95/06/779929506.db2.gz WHYUJENRQPAPSN-YUSALJHKSA-N 3 2 279.344 -1.274 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180042 779930072 /nfs/dbraw/zinc/93/00/72/779930072.db2.gz REVDPKQFRZVINU-VPOLOUISSA-N 3 2 254.334 -2.020 20 0 CAADLP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158198241 779930572 /nfs/dbraw/zinc/93/05/72/779930572.db2.gz COCPDZNOHRFUCK-KQXIARHKSA-N 3 2 250.346 -1.099 20 0 CAADLP NC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158204617 779931178 /nfs/dbraw/zinc/93/11/78/779931178.db2.gz SAEZVWPPPWOIEM-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP NS(=O)(=O)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209222 779931302 /nfs/dbraw/zinc/93/13/02/779931302.db2.gz LWZUBXCXTBVHDZ-MRVPVSSYSA-N 2 2 297.340 -1.223 20 0 CAADLP NS(=O)(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204343 779931369 /nfs/dbraw/zinc/93/13/69/779931369.db2.gz XMXYTGHVYWYEMC-MRVPVSSYSA-N 2 2 297.340 -1.223 20 0 CAADLP NC(=O)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203894 779931417 /nfs/dbraw/zinc/93/14/17/779931417.db2.gz JCFWUKOSJKJDAY-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP CNC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209143 779931483 /nfs/dbraw/zinc/93/14/83/779931483.db2.gz HVYCDCQUPRHSKK-MRVPVSSYSA-N 2 2 276.300 -1.116 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CC2)COCC(=O)N3)C1 ZINC001158327128 779932526 /nfs/dbraw/zinc/93/25/26/779932526.db2.gz RWYHUEFQXIRDQO-ZJUUUORDSA-N 2 2 282.344 -1.817 20 0 CAADLP O=C(N1CCS(=O)(=O)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158371432 779933402 /nfs/dbraw/zinc/93/34/02/779933402.db2.gz YYMJHSDTMZSQAM-MWLCHTKSSA-N 2 2 273.358 -1.805 20 0 CAADLP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158421439 779934399 /nfs/dbraw/zinc/93/43/99/779934399.db2.gz DSUNNIFIVVRGKB-ZPFDUUQYSA-N 3 2 250.346 -1.099 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421690 779934882 /nfs/dbraw/zinc/93/48/82/779934882.db2.gz FHXIOHLZOOAAGK-NGDQXYMTSA-N 3 2 250.346 -1.101 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158415748 779934959 /nfs/dbraw/zinc/93/49/59/779934959.db2.gz NSZVSFSOFQWQQA-RNJXMRFFSA-N 2 2 251.294 -1.968 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158415749 779935020 /nfs/dbraw/zinc/93/50/20/779935020.db2.gz NSZVSFSOFQWQQA-XLPZGREQSA-N 2 2 251.294 -1.968 20 0 CAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001158498550 779936689 /nfs/dbraw/zinc/93/66/89/779936689.db2.gz PXXIFRPDSKFYHA-UHFZAUJKSA-N 3 2 296.371 -1.572 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567416 779937728 /nfs/dbraw/zinc/93/77/28/779937728.db2.gz HWZWDTQOZTZSLP-HLTSFMKQSA-N 2 2 297.338 -1.395 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001158603702 779937894 /nfs/dbraw/zinc/93/78/94/779937894.db2.gz IWRPLZFNSIDSJI-GFCCVEGCSA-N 2 2 256.350 -1.532 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567418 779938178 /nfs/dbraw/zinc/93/81/78/779938178.db2.gz HWZWDTQOZTZSLP-VGMNWLOBSA-N 2 2 297.338 -1.395 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001158602654 779938227 /nfs/dbraw/zinc/93/82/27/779938227.db2.gz ALUQAUUAZBSBOE-GFCCVEGCSA-N 2 2 298.387 -1.893 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001158603672 779938256 /nfs/dbraw/zinc/93/82/56/779938256.db2.gz IEGZEGQPZAIKMF-RWMBFGLXSA-N 2 2 282.388 -1.273 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21 ZINC001158804232 779939799 /nfs/dbraw/zinc/93/97/99/779939799.db2.gz MVDAXXJMSVZOCJ-KZVDOYCCSA-N 2 2 280.372 -1.521 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]21 ZINC001158804302 779939828 /nfs/dbraw/zinc/93/98/28/779939828.db2.gz OGFXYNWXVSDWNM-MNOVXSKESA-N 2 2 268.361 -1.391 20 0 CAADLP CN(C[C@H](O)CO)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001158800309 779940179 /nfs/dbraw/zinc/94/01/79/779940179.db2.gz UPQSNDKIUUWQNT-UWVGGRQHSA-N 2 2 256.306 -1.899 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]21 ZINC001158804410 779940226 /nfs/dbraw/zinc/94/02/26/779940226.db2.gz PKNREAUJHDJOSL-YYHQMBLXSA-N 2 2 280.372 -1.522 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@@H]2C1=O ZINC001159887502 779952935 /nfs/dbraw/zinc/95/29/35/779952935.db2.gz WJJADVNRYFPDEB-DVVUODLYSA-N 2 2 277.328 -1.174 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001159886237 779953059 /nfs/dbraw/zinc/95/30/59/779953059.db2.gz KXJJCWXYCCXBHC-USWWRNFRSA-N 2 2 291.355 -1.164 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]2C1=O ZINC001159887262 779953425 /nfs/dbraw/zinc/95/34/25/779953425.db2.gz UKRBMPTWGRQAIY-IMSYWVGJSA-N 2 2 252.318 -1.778 20 0 CAADLP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001160093343 779954365 /nfs/dbraw/zinc/95/43/65/779954365.db2.gz FAIWXTYFVWVDSV-HHHUOAJASA-N 2 2 280.372 -1.238 20 0 CAADLP C[C@@H]1C(=O)NCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160449928 779959815 /nfs/dbraw/zinc/95/98/15/779959815.db2.gz BKNCKLYTSXYAGN-HNBLOZHYSA-N 2 2 252.318 -1.445 20 0 CAADLP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160438737 779960252 /nfs/dbraw/zinc/96/02/52/779960252.db2.gz BVNFNTBWBNIVDV-KXUCPTDWSA-N 2 2 298.343 -2.044 20 0 CAADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160454664 779960774 /nfs/dbraw/zinc/96/07/74/779960774.db2.gz QCMJBPTZFPUPBV-JTQLQIEISA-N 2 2 281.364 -1.130 20 0 CAADLP CCN(CCC(N)=O)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160470541 779960955 /nfs/dbraw/zinc/96/09/55/779960955.db2.gz AEAKHCVIJCRANX-BXKDBHETSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160457132 779961353 /nfs/dbraw/zinc/96/13/53/779961353.db2.gz YSNAJBPSNLSINN-SKDRFNHKSA-N 2 2 267.333 -1.839 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160457129 779961558 /nfs/dbraw/zinc/96/15/58/779961558.db2.gz YSNAJBPSNLSINN-CABZTGNLSA-N 2 2 267.333 -1.839 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160456565 779961566 /nfs/dbraw/zinc/96/15/66/779961566.db2.gz NFXJOCBFWCZMMO-VIFPVBQESA-N 2 2 266.305 -1.498 20 0 CAADLP O=C(N1CCC2(C1)OCCO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160471134 779962667 /nfs/dbraw/zinc/96/26/67/779962667.db2.gz PULXCAVZFXPOST-GXFFZTMASA-N 2 2 267.329 -1.087 20 0 CAADLP CN(C)C(=O)CN(C)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160503703 779964114 /nfs/dbraw/zinc/96/41/14/779964114.db2.gz CIGPIFBTCZMAHN-LLVKDONJSA-N 2 2 285.392 -1.717 20 0 CAADLP CN(C)C(=O)CN(C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160504739 779964383 /nfs/dbraw/zinc/96/43/83/779964383.db2.gz PAOQEFNPJXLDQA-LNLATYFQSA-N 2 2 254.334 -1.245 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506711 779964417 /nfs/dbraw/zinc/96/44/17/779964417.db2.gz PTWDABOOBKWBHH-RYUDHWBXSA-N 2 2 298.387 -1.098 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160549599 779966478 /nfs/dbraw/zinc/96/64/78/779966478.db2.gz RLGWBPLLZHGMKM-LNLATYFQSA-N 2 2 252.318 -1.728 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160549600 779966632 /nfs/dbraw/zinc/96/66/32/779966632.db2.gz RLGWBPLLZHGMKM-PTRXPTGYSA-N 2 2 252.318 -1.728 20 0 CAADLP COC(=O)C[C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001160595448 779966760 /nfs/dbraw/zinc/96/67/60/779966760.db2.gz BSDRFTGOZCLQFB-JTQLQIEISA-N 2 2 285.344 -1.142 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCO1 ZINC001160595589 779967946 /nfs/dbraw/zinc/96/79/46/779967946.db2.gz GEALVGOITBIKIU-UTLUCORTSA-N 2 2 271.317 -1.534 20 0 CAADLP COC(=O)C[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCO1 ZINC001160595571 779967961 /nfs/dbraw/zinc/96/79/61/779967961.db2.gz FRPPEIZSLBOIEU-UTLUCORTSA-N 2 2 271.317 -1.534 20 0 CAADLP COC(=O)C[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160596263 779968170 /nfs/dbraw/zinc/96/81/70/779968170.db2.gz NFNFTVKYFIHFAR-OXIWPEFWSA-N 2 2 297.355 -1.001 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160596761 779968308 /nfs/dbraw/zinc/96/83/08/779968308.db2.gz VWIWVACFRABDQE-GYSYKLTISA-N 2 2 297.355 -1.272 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636026 779969604 /nfs/dbraw/zinc/96/96/04/779969604.db2.gz GYJSJMGWBDYPOC-LLVKDONJSA-N 2 2 292.343 -2.078 20 0 CAADLP [NH3+]C1(C(=O)N2CCN3C(=O)OC[C@H]3C2)CC[NH2+]CC1 ZINC001160641006 779972170 /nfs/dbraw/zinc/97/21/70/779972170.db2.gz UGWXQCLIHNFOHH-SECBINFHSA-N 2 2 268.317 -1.270 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640600 779972185 /nfs/dbraw/zinc/97/21/85/779972185.db2.gz IJXROXHNHHYWBC-ZRUFSTJUSA-N 2 2 280.328 -1.401 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644145 779972191 /nfs/dbraw/zinc/97/21/91/779972191.db2.gz URJHGPBSEFIGKP-QWRGUYRKSA-N 3 2 267.333 -1.524 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160643793 779972480 /nfs/dbraw/zinc/97/24/80/779972480.db2.gz NKFZVRPZSYVGFT-XNDJQWLSSA-N 3 2 254.334 -1.606 20 0 CAADLP O=C(N1CCN2C(=O)OC[C@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160640691 779972536 /nfs/dbraw/zinc/97/25/36/779972536.db2.gz LUIHYMCNSDWFSM-OPQQBVKSSA-N 2 2 280.328 -1.399 20 0 CAADLP O=C(N1CCN2C(=O)OC[C@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160640689 779972655 /nfs/dbraw/zinc/97/26/55/779972655.db2.gz LUIHYMCNSDWFSM-CWSCBRNRSA-N 2 2 280.328 -1.399 20 0 CAADLP [NH3+]C1(C(=O)N2CCN3C(=O)CC[C@@H]3C2)CC[NH2+]CC1 ZINC001160647542 779974005 /nfs/dbraw/zinc/97/40/05/779974005.db2.gz MOCIOQLYTOBDOI-SNVBAGLBSA-N 2 2 266.345 -1.100 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1F ZINC001160647253 779974079 /nfs/dbraw/zinc/97/40/79/779974079.db2.gz CWLMWIUOVMZJEP-GUDRVLHUSA-N 3 2 256.325 -1.164 20 0 CAADLP O=C(N1CCN2C(=O)CC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160647386 779974175 /nfs/dbraw/zinc/97/41/75/779974175.db2.gz JYUZCUGSXLHHHM-MISXGVKJSA-N 2 2 278.356 -1.229 20 0 CAADLP O=C(N1CCN2C(=O)CC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160647385 779974301 /nfs/dbraw/zinc/97/43/01/779974301.db2.gz JYUZCUGSXLHHHM-JTNHKYCSSA-N 2 2 278.356 -1.229 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647363 779974482 /nfs/dbraw/zinc/97/44/82/779974482.db2.gz IVAKNQZFGMCUDA-XVMARJQXSA-N 2 2 257.273 -2.033 20 0 CAADLP O=C(N1[C@H]2COC[C@@H]1CC(=O)C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160660932 779974930 /nfs/dbraw/zinc/97/49/30/779974930.db2.gz LVXFBOIGALZMTA-PUHVVEEASA-N 2 2 279.340 -1.103 20 0 CAADLP O=C(N1[C@H]2COC[C@@H]1CC(=O)C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160660930 779974971 /nfs/dbraw/zinc/97/49/71/779974971.db2.gz LVXFBOIGALZMTA-KZWBYHQPSA-N 2 2 279.340 -1.103 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653226 779975082 /nfs/dbraw/zinc/97/50/82/779975082.db2.gz ZNLWBKRVTFTXGH-DSYKOEDSSA-N 2 2 255.282 -3.010 20 0 CAADLP COC(CN(C)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)OC ZINC001160685898 779977181 /nfs/dbraw/zinc/97/71/81/779977181.db2.gz IXOGLTCHKYDNGO-LLVKDONJSA-N 2 2 288.392 -1.186 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704560 779977924 /nfs/dbraw/zinc/97/79/24/779977924.db2.gz LVRKWAWRKSLCKO-CZXHOFHRSA-N 3 2 264.373 -1.042 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704560 779977928 /nfs/dbraw/zinc/97/79/28/779977928.db2.gz LVRKWAWRKSLCKO-CZXHOFHRSA-N 3 2 264.373 -1.042 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160704548 779978286 /nfs/dbraw/zinc/97/82/86/779978286.db2.gz LUGSAQDZAATONF-BDAKNGLRSA-N 2 2 267.289 -2.008 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160704554 779978488 /nfs/dbraw/zinc/97/84/88/779978488.db2.gz LUGSAQDZAATONF-DTWKUNHWSA-N 2 2 267.289 -2.008 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)C1 ZINC001160717011 779978523 /nfs/dbraw/zinc/97/85/23/779978523.db2.gz XGDAPFPDATUYTD-ZJUUUORDSA-N 2 2 294.355 -1.279 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160715576 779978656 /nfs/dbraw/zinc/97/86/56/779978656.db2.gz GCVZQBNJPSLJDO-UWVGGRQHSA-N 2 2 294.355 -1.422 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704564 779978691 /nfs/dbraw/zinc/97/86/91/779978691.db2.gz LVRKWAWRKSLCKO-GFQSEFKGSA-N 3 2 264.373 -1.042 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704564 779978700 /nfs/dbraw/zinc/97/87/00/779978700.db2.gz LVRKWAWRKSLCKO-GFQSEFKGSA-N 3 2 264.373 -1.042 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160704556 779979045 /nfs/dbraw/zinc/97/90/45/779979045.db2.gz LUGSAQDZAATONF-IUCAKERBSA-N 2 2 267.289 -2.008 20 0 CAADLP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCc2[nH+]ccn2CC1 ZINC001160761341 779979568 /nfs/dbraw/zinc/97/95/68/779979568.db2.gz YZEXGBOONCKCTR-NXEZZACHSA-N 2 2 250.302 -1.152 20 0 CAADLP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCc2[nH+]ccn2CC1 ZINC001160761035 779980120 /nfs/dbraw/zinc/98/01/20/779980120.db2.gz UNNZOINWZIWKMT-LLVKDONJSA-N 2 2 291.355 -1.402 20 0 CAADLP COC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160718928 779980145 /nfs/dbraw/zinc/98/01/45/779980145.db2.gz XVMJMTGABCLPIR-AATLWQCWSA-N 2 2 255.318 -1.044 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789381 779981453 /nfs/dbraw/zinc/98/14/53/779981453.db2.gz BNQLGYCHIGDBHM-GHMZBOCLSA-N 2 2 293.327 -1.651 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772153 779981650 /nfs/dbraw/zinc/98/16/50/779981650.db2.gz PDQFNFHAUJJPBU-UWVGGRQHSA-N 2 2 282.344 -1.959 20 0 CAADLP [NH3+]C1(C(=O)N2CCN3C(=O)COC[C@H]3C2)CC[NH2+]CC1 ZINC001160790689 779982710 /nfs/dbraw/zinc/98/27/10/779982710.db2.gz SLFGNLVSURNCOA-SNVBAGLBSA-N 2 2 282.344 -1.863 20 0 CAADLP O=C(N1CCn2nncc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160832637 779982729 /nfs/dbraw/zinc/98/27/29/779982729.db2.gz LMKVFPBPXNYRDC-SKDRFNHKSA-N 2 2 262.317 -1.428 20 0 CAADLP [NH3+]C1(C(=O)N2CCn3nncc3C2)CC[NH2+]CC1 ZINC001160832555 779982737 /nfs/dbraw/zinc/98/27/37/779982737.db2.gz JCMJWMNORWFJQM-UHFFFAOYSA-N 2 2 250.306 -1.299 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160837697 779983458 /nfs/dbraw/zinc/98/34/58/779983458.db2.gz JFDPTKHGKAKNRG-IUCAKERBSA-N 2 2 283.336 -2.142 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160840198 779983527 /nfs/dbraw/zinc/98/35/27/779983527.db2.gz WNVSYMCDJMDJEN-ZDEQEGDKSA-N 3 2 282.388 -1.275 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160837208 779983640 /nfs/dbraw/zinc/98/36/40/779983640.db2.gz FIJKSGZWOWVPJN-YRGRVCCFSA-N 3 2 282.388 -1.273 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCN1C ZINC001160870630 779984151 /nfs/dbraw/zinc/98/41/51/779984151.db2.gz HGWBJJVEKFZETD-NNYUYHANSA-N 2 2 296.371 -1.748 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCN1C ZINC001160870250 779984188 /nfs/dbraw/zinc/98/41/88/779984188.db2.gz BCHNYUNQSCULAY-COPLHBTASA-N 2 2 296.371 -1.747 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160840193 779984228 /nfs/dbraw/zinc/98/42/28/779984228.db2.gz WNVSYMCDJMDJEN-QNWHQSFQSA-N 3 2 282.388 -1.275 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCN1C ZINC001160870663 779985282 /nfs/dbraw/zinc/98/52/82/779985282.db2.gz IQOJGLDHMYJFJA-GUBZILKMSA-N 2 2 270.333 -2.151 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C ZINC001160871214 779985309 /nfs/dbraw/zinc/98/53/09/779985309.db2.gz RNYBSIMSVADFNP-GHMZBOCLSA-N 2 2 295.343 -1.405 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCN1C ZINC001160870871 779985710 /nfs/dbraw/zinc/98/57/10/779985710.db2.gz OJDDCVDMBZXSFI-UTLUCORTSA-N 2 2 270.333 -2.009 20 0 CAADLP [NH3+]C1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC[NH2+]CC1 ZINC001160915839 779986561 /nfs/dbraw/zinc/98/65/61/779986561.db2.gz OOTNFKOXKLWVQG-UHFFFAOYSA-N 3 2 276.344 -1.138 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915714 779986777 /nfs/dbraw/zinc/98/67/77/779986777.db2.gz KFTDTKHFLKDBEJ-UWVGGRQHSA-N 3 2 262.317 -1.672 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915925 779986900 /nfs/dbraw/zinc/98/69/00/779986900.db2.gz RQXOKSZGFDDVCX-VIFPVBQESA-N 3 2 250.306 -1.543 20 0 CAADLP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160941248 779987749 /nfs/dbraw/zinc/98/77/49/779987749.db2.gz IRADXGMSEWNBGL-WTBMIXGQSA-N 2 2 266.345 -1.103 20 0 CAADLP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161000472 779988707 /nfs/dbraw/zinc/98/87/07/779988707.db2.gz TUXLDSFRDYTYIX-XUJVJEKNSA-N 3 2 294.399 -1.347 20 0 CAADLP [NH3+]C1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001160999944 779989109 /nfs/dbraw/zinc/98/91/09/779989109.db2.gz NBZNEGGRKABIEC-NSHDSACASA-N 3 2 282.388 -1.217 20 0 CAADLP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161000471 779989321 /nfs/dbraw/zinc/98/93/21/779989321.db2.gz TUXLDSFRDYTYIX-TYNCELHUSA-N 3 2 294.399 -1.347 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009698 779989436 /nfs/dbraw/zinc/98/94/36/779989436.db2.gz WTRJXNXYVWCAJI-DCAQKATOSA-N 3 2 268.361 -1.752 20 0 CAADLP O=C1C[NH2+]CCN1CCNc1ncnc2c1C[NH2+]C2 ZINC001161020257 779990339 /nfs/dbraw/zinc/99/03/39/779990339.db2.gz YMBOVOLRVSVCBE-UHFFFAOYSA-N 2 2 262.317 -1.077 20 0 CAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001161035769 779991061 /nfs/dbraw/zinc/99/10/61/779991061.db2.gz ZVDGUIGWNGYEMX-MNOVXSKESA-N 2 2 283.376 -1.787 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CNC(=O)N3)CC2)C1 ZINC001161081230 779992324 /nfs/dbraw/zinc/99/23/24/779992324.db2.gz HQYCVLAITYPNHX-BDAKNGLRSA-N 2 2 267.333 -1.650 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161138309 779997142 /nfs/dbraw/zinc/99/71/42/779997142.db2.gz RJXZNEMJFMFAGH-LDYMZIIASA-N 3 2 258.322 -1.845 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058162 779992540 /nfs/dbraw/zinc/99/25/40/779992540.db2.gz OYGGFBVVWNHREH-CIUDSAMLSA-N 2 2 267.337 -1.202 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ncc(O)cn3)CC2)C1 ZINC001161082879 779992847 /nfs/dbraw/zinc/99/28/47/779992847.db2.gz QACXYMYLWPFNPO-KOLCDFICSA-N 2 2 292.343 -1.480 20 0 CAADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]21 ZINC001161081124 779992935 /nfs/dbraw/zinc/99/29/35/779992935.db2.gz FNVVTGAGLGLFDM-LPEHRKFASA-N 2 2 279.348 -1.378 20 0 CAADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]21 ZINC001161081124 779992939 /nfs/dbraw/zinc/99/29/39/779992939.db2.gz FNVVTGAGLGLFDM-LPEHRKFASA-N 2 2 279.348 -1.378 20 0 CAADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]21 ZINC001161081125 779993225 /nfs/dbraw/zinc/99/32/25/779993225.db2.gz FNVVTGAGLGLFDM-UTLUCORTSA-N 2 2 279.348 -1.378 20 0 CAADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]21 ZINC001161081125 779993231 /nfs/dbraw/zinc/99/32/31/779993231.db2.gz FNVVTGAGLGLFDM-UTLUCORTSA-N 2 2 279.348 -1.378 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161084477 779993976 /nfs/dbraw/zinc/99/39/76/779993976.db2.gz YNAVXVROQZRHSK-QWRGUYRKSA-N 2 2 292.343 -1.623 20 0 CAADLP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161093057 779994208 /nfs/dbraw/zinc/99/42/08/779994208.db2.gz GVIPNNFNWGAVKV-KXUCPTDWSA-N 2 2 271.317 -1.534 20 0 CAADLP O=C(N1C[C@@H]2C[C@H]1C(=O)O2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161084304 779994218 /nfs/dbraw/zinc/99/42/18/779994218.db2.gz FNRRQGUZZDNUJK-ARHDFHRDSA-N 2 2 251.286 -1.536 20 0 CAADLP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161093830 779996029 /nfs/dbraw/zinc/99/60/29/779996029.db2.gz YEMLUQMVHQNDMV-NNYUYHANSA-N 2 2 297.355 -1.273 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001161136985 779996814 /nfs/dbraw/zinc/99/68/14/779996814.db2.gz ATMXFEARUFAOFD-GFCCVEGCSA-N 2 2 270.333 -2.006 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001161138360 779996827 /nfs/dbraw/zinc/99/68/27/779996827.db2.gz SUXLNAPQZGOMFM-JSXHELRYSA-N 2 2 291.373 -1.815 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001161137945 779996865 /nfs/dbraw/zinc/99/68/65/779996865.db2.gz IOXGNWDMUAUMJD-DKCNOQQISA-N 2 2 257.290 -2.188 20 0 CAADLP CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1C[NH+](C)C1 ZINC001161137129 779996916 /nfs/dbraw/zinc/99/69/16/779996916.db2.gz CGIADGXBCCVOKG-SNVBAGLBSA-N 2 2 271.365 -1.075 20 0 CAADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161138223 779996967 /nfs/dbraw/zinc/99/69/67/779996967.db2.gz PWYTXCREPLEKPG-GWCFXTLKSA-N 3 2 286.376 -1.194 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])COC(C)=O)C1 ZINC001161137696 779997210 /nfs/dbraw/zinc/99/72/10/779997210.db2.gz GHYKRCYLHLCVRX-GZMMTYOYSA-N 2 2 273.289 -2.020 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001161137947 779997258 /nfs/dbraw/zinc/99/72/58/779997258.db2.gz IOXGNWDMUAUMJD-SOCHQFKDSA-N 2 2 257.290 -2.188 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001161138477 779997282 /nfs/dbraw/zinc/99/72/82/779997282.db2.gz BEQFMCOEEUDTNI-PTNRUYDSSA-N 2 2 299.371 -1.032 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CCN2)C1 ZINC001161137115 779997380 /nfs/dbraw/zinc/99/73/80/779997380.db2.gz CAGGKJVMZIWUOU-LDYMZIIASA-N 2 2 256.306 -2.349 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001161138359 779997630 /nfs/dbraw/zinc/99/76/30/779997630.db2.gz SUXLNAPQZGOMFM-GYNAJNEGSA-N 2 2 291.373 -1.815 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001161138478 779997904 /nfs/dbraw/zinc/99/79/04/779997904.db2.gz BEQFMCOEEUDTNI-YXLKDIQASA-N 2 2 299.371 -1.032 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161138205 779997910 /nfs/dbraw/zinc/99/79/10/779997910.db2.gz PHCVEGPSRHTSNI-RNCFNFMXSA-N 2 2 298.343 -2.580 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001161138361 779997932 /nfs/dbraw/zinc/99/79/32/779997932.db2.gz SUXLNAPQZGOMFM-VCJDJFQASA-N 2 2 291.373 -1.815 20 0 CAADLP CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1C[NH+](C)C1 ZINC001161138759 779997984 /nfs/dbraw/zinc/99/79/84/779997984.db2.gz YODKNJNPZXNGSA-LLVKDONJSA-N 3 2 252.362 -1.042 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001161138107 779998035 /nfs/dbraw/zinc/99/80/35/779998035.db2.gz NGEHOCWIZFBYLQ-NWDGAFQWSA-N 2 2 270.333 -1.830 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[NH2+]CCC[NH3+])C1 ZINC001161139222 779998868 /nfs/dbraw/zinc/99/88/68/779998868.db2.gz NLOVNYHKLBMQGB-NSHDSACASA-N 3 2 258.322 -1.972 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138656 779999000 /nfs/dbraw/zinc/99/90/00/779999000.db2.gz CLGVSNJFGSPORZ-GXFFZTMASA-N 3 2 286.376 -1.064 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161139214 779999140 /nfs/dbraw/zinc/99/91/40/779999140.db2.gz NHUCCFYBTVCQAB-ZANVPECISA-N 2 2 298.343 -1.961 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161170070 779999978 /nfs/dbraw/zinc/99/99/78/779999978.db2.gz BCJSHTSRIGZHKV-WOPDTQHZSA-N 2 2 279.344 -1.477 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161158550 780000003 /nfs/dbraw/zinc/00/00/03/780000003.db2.gz WSFFRSXIMHQLGT-FZMZJTMJSA-N 3 2 298.387 -1.322 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001161171801 780000068 /nfs/dbraw/zinc/00/00/68/780000068.db2.gz NGQDNXXUHFMVQJ-JLLWLGSASA-N 2 2 279.344 -1.335 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161158388 780000558 /nfs/dbraw/zinc/00/05/58/780000558.db2.gz UKPATMOHWPXKRG-GYSYKLTISA-N 3 2 298.387 -1.051 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001161237715 780002528 /nfs/dbraw/zinc/00/25/28/780002528.db2.gz NRUPCYFXUYXUNB-JOYOIKCWSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001161237715 780002533 /nfs/dbraw/zinc/00/25/33/780002533.db2.gz NRUPCYFXUYXUNB-JOYOIKCWSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001161236841 780002587 /nfs/dbraw/zinc/00/25/87/780002587.db2.gz HAGZYQZTJBGTNY-GUBZILKMSA-N 2 2 271.317 -2.118 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001161236841 780002593 /nfs/dbraw/zinc/00/25/93/780002593.db2.gz HAGZYQZTJBGTNY-GUBZILKMSA-N 2 2 271.317 -2.118 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236893 780002616 /nfs/dbraw/zinc/00/26/16/780002616.db2.gz HINMAJQNRKIOSY-WDEREUQCSA-N 3 2 286.376 -1.242 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236893 780002625 /nfs/dbraw/zinc/00/26/25/780002625.db2.gz HINMAJQNRKIOSY-WDEREUQCSA-N 3 2 286.376 -1.242 20 0 CAADLP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161238034 780002858 /nfs/dbraw/zinc/00/28/58/780002858.db2.gz QOFZGFOSWSXSQX-BIAAXOCRSA-N 2 2 296.371 -1.476 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161237716 780003146 /nfs/dbraw/zinc/00/31/46/780003146.db2.gz NRUPCYFXUYXUNB-SKDRFNHKSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161237716 780003154 /nfs/dbraw/zinc/00/31/54/780003154.db2.gz NRUPCYFXUYXUNB-SKDRFNHKSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001161237523 780003179 /nfs/dbraw/zinc/00/31/79/780003179.db2.gz LRKJDQFXTQXDFB-GHMZBOCLSA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001161237523 780003187 /nfs/dbraw/zinc/00/31/87/780003187.db2.gz LRKJDQFXTQXDFB-GHMZBOCLSA-N 2 2 285.344 -1.320 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234329 780003259 /nfs/dbraw/zinc/00/32/59/780003259.db2.gz APHHNABTSGDSFC-DCAQKATOSA-N 2 2 264.333 -1.012 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161237577 780003575 /nfs/dbraw/zinc/00/35/75/780003575.db2.gz MSMNAHGEWNHVTO-COPLHBTASA-N 2 2 296.371 -1.747 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001161237719 780003661 /nfs/dbraw/zinc/00/36/61/780003661.db2.gz NTQMAOMWCASHGL-GWCFXTLKSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001161237719 780003669 /nfs/dbraw/zinc/00/36/69/780003669.db2.gz NTQMAOMWCASHGL-GWCFXTLKSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161236814 780003874 /nfs/dbraw/zinc/00/38/74/780003874.db2.gz GUCMPRWIEJOJPX-VHSXEESVSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161236814 780003879 /nfs/dbraw/zinc/00/38/79/780003879.db2.gz GUCMPRWIEJOJPX-VHSXEESVSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001161236848 780004165 /nfs/dbraw/zinc/00/41/65/780004165.db2.gz HAGZYQZTJBGTNY-UTLUCORTSA-N 2 2 271.317 -2.118 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001161236848 780004169 /nfs/dbraw/zinc/00/41/69/780004169.db2.gz HAGZYQZTJBGTNY-UTLUCORTSA-N 2 2 271.317 -2.118 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001161236845 780004305 /nfs/dbraw/zinc/00/43/05/780004305.db2.gz HAGZYQZTJBGTNY-LPEHRKFASA-N 2 2 271.317 -2.118 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001161236845 780004311 /nfs/dbraw/zinc/00/43/11/780004311.db2.gz HAGZYQZTJBGTNY-LPEHRKFASA-N 2 2 271.317 -2.118 20 0 CAADLP [NH3+]C1(C(=O)N2CCN(c3ncncn3)CC2)CC[NH2+]CC1 ZINC001161247882 780005345 /nfs/dbraw/zinc/00/53/45/780005345.db2.gz MCPRIVRSHYGFIF-UHFFFAOYSA-N 2 2 291.359 -1.399 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001161268964 780005558 /nfs/dbraw/zinc/00/55/58/780005558.db2.gz OJRUYIQFAMGRIW-ZMLRMANQSA-N 2 2 295.387 -1.144 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247837 780005902 /nfs/dbraw/zinc/00/59/02/780005902.db2.gz KZXANLITGGSPGB-UWVGGRQHSA-N 2 2 277.332 -1.933 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161268838 780005918 /nfs/dbraw/zinc/00/59/18/780005918.db2.gz MSWPRVPUTMXYOO-UWVGGRQHSA-N 2 2 269.349 -1.547 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCN1C(C)=O ZINC001161294955 780007047 /nfs/dbraw/zinc/00/70/47/780007047.db2.gz BWQCTRDRLOSAHJ-DCAQKATOSA-N 2 2 298.343 -2.235 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC(=O)N3)CC2)C1 ZINC001161299351 780007095 /nfs/dbraw/zinc/00/70/95/780007095.db2.gz VESBNZVZMGAFPQ-ZJUUUORDSA-N 2 2 266.345 -1.053 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389179 780009890 /nfs/dbraw/zinc/00/98/90/780009890.db2.gz OUBSSKXNRVBNKP-AVGNSLFASA-N 3 2 282.388 -1.144 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161374546 780009908 /nfs/dbraw/zinc/00/99/08/780009908.db2.gz XMYXPEKHRYTQAU-SWHYSGLUSA-N 2 2 297.355 -1.272 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001161387135 780010259 /nfs/dbraw/zinc/01/02/59/780010259.db2.gz AJLPGPHNSGLRPS-AGIUHOORSA-N 3 2 282.388 -1.001 20 0 CAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)CC1 ZINC001161377967 780010299 /nfs/dbraw/zinc/01/02/99/780010299.db2.gz JRUTZRRVMSVQIH-AGIUHOORSA-N 3 2 282.388 -1.267 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001161387136 780010617 /nfs/dbraw/zinc/01/06/17/780010617.db2.gz AJLPGPHNSGLRPS-UPJWGTAASA-N 3 2 282.388 -1.001 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412179 780011599 /nfs/dbraw/zinc/01/15/99/780011599.db2.gz HGCZKPFYOQCWIF-KDXUFGMBSA-N 2 2 265.321 -1.735 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412178 780012090 /nfs/dbraw/zinc/01/20/90/780012090.db2.gz HGCZKPFYOQCWIF-BGZDPUMWSA-N 2 2 265.321 -1.735 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161417703 780012249 /nfs/dbraw/zinc/01/22/49/780012249.db2.gz WVGZKMCBMWMFPW-VIFPVBQESA-N 2 2 254.334 -1.066 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423978 780012704 /nfs/dbraw/zinc/01/27/04/780012704.db2.gz VCDSJNLHXFBXQT-KEYDSSBGSA-N 2 2 259.375 -1.001 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423978 780012711 /nfs/dbraw/zinc/01/27/11/780012711.db2.gz VCDSJNLHXFBXQT-KEYDSSBGSA-N 2 2 259.375 -1.001 20 0 CAADLP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448515 780013345 /nfs/dbraw/zinc/01/33/45/780013345.db2.gz DMFVNBXFIIJJSB-AVGNSLFASA-N 4 2 283.420 -1.182 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001161492309 780015078 /nfs/dbraw/zinc/01/50/78/780015078.db2.gz NGVIXIDDPHCZRA-KLBPJQLPSA-N 3 2 254.334 -1.878 20 0 CAADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001161476455 780015258 /nfs/dbraw/zinc/01/52/58/780015258.db2.gz AXJFYPHJGCYICU-RMIALFOJSA-N 3 2 296.371 -1.571 20 0 CAADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161489417 780015459 /nfs/dbraw/zinc/01/54/59/780015459.db2.gz MQEIFIDCZAKBSA-GZMMTYOYSA-N 2 2 267.337 -1.343 20 0 CAADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001161476454 780015946 /nfs/dbraw/zinc/01/59/46/780015946.db2.gz AXJFYPHJGCYICU-KZWBYHQPSA-N 3 2 296.371 -1.571 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498555 780016504 /nfs/dbraw/zinc/01/65/04/780016504.db2.gz JVOGMKVOZXEHLQ-XUJVJEKNSA-N 3 2 294.399 -1.131 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498555 780016512 /nfs/dbraw/zinc/01/65/12/780016512.db2.gz JVOGMKVOZXEHLQ-XUJVJEKNSA-N 3 2 294.399 -1.131 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1[NH3+] ZINC001161492684 780016865 /nfs/dbraw/zinc/01/68/65/780016865.db2.gz VDFXOMFLLUIDQN-KNDBQHFLSA-N 3 2 254.334 -1.607 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498551 780016944 /nfs/dbraw/zinc/01/69/44/780016944.db2.gz JVOGMKVOZXEHLQ-TYNCELHUSA-N 3 2 294.399 -1.131 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498551 780016955 /nfs/dbraw/zinc/01/69/55/780016955.db2.gz JVOGMKVOZXEHLQ-TYNCELHUSA-N 3 2 294.399 -1.131 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1[NH3+] ZINC001161491844 780017129 /nfs/dbraw/zinc/01/71/29/780017129.db2.gz JAYLOUCPYBTXSP-KXUCPTDWSA-N 3 2 253.306 -1.536 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[C@@H]1[NH3+] ZINC001161492320 780017258 /nfs/dbraw/zinc/01/72/58/780017258.db2.gz NQSWRUHDAMGGND-GARJFASQSA-N 3 2 267.333 -1.526 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492582 780017486 /nfs/dbraw/zinc/01/74/86/780017486.db2.gz RDNYCNZADGFQLT-UMNHJUIQSA-N 2 2 292.339 -1.036 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498547 780017725 /nfs/dbraw/zinc/01/77/25/780017725.db2.gz JVOGMKVOZXEHLQ-SLEUVZQESA-N 3 2 294.399 -1.131 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498547 780017733 /nfs/dbraw/zinc/01/77/33/780017733.db2.gz JVOGMKVOZXEHLQ-SLEUVZQESA-N 3 2 294.399 -1.131 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1[NH3+] ZINC001161492359 780017873 /nfs/dbraw/zinc/01/78/73/780017873.db2.gz OONVRWISLHKNGL-LADJIXMOSA-N 3 2 254.334 -1.879 20 0 CAADLP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)CC[C@H]1[NH2+]2 ZINC001161507769 780018383 /nfs/dbraw/zinc/01/83/83/780018383.db2.gz AHEKXPPODNMDFQ-PRFIWBCESA-N 3 2 266.345 -1.606 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499788 780018577 /nfs/dbraw/zinc/01/85/77/780018577.db2.gz IIHGDHSTJNASPE-NXEZZACHSA-N 3 2 265.317 -1.534 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161499981 780018858 /nfs/dbraw/zinc/01/88/58/780018858.db2.gz QTHHYGKQIPIKHR-JQWIXIFHSA-N 2 2 285.344 -1.192 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161499981 780018865 /nfs/dbraw/zinc/01/88/65/780018865.db2.gz QTHHYGKQIPIKHR-JQWIXIFHSA-N 2 2 285.344 -1.192 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC12COC2 ZINC001161507928 780019137 /nfs/dbraw/zinc/01/91/37/780019137.db2.gz BZSVJPLRLRYJMU-BREBYQMCSA-N 3 2 266.345 -1.876 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C1)[C@H]1CCOC1 ZINC001161499986 780019174 /nfs/dbraw/zinc/01/91/74/780019174.db2.gz RAGUHVJGNCJOTM-ONGXEEELSA-N 3 2 256.350 -1.406 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C1)[C@H]1CCOC1 ZINC001161499986 780019186 /nfs/dbraw/zinc/01/91/86/780019186.db2.gz RAGUHVJGNCJOTM-ONGXEEELSA-N 3 2 256.350 -1.406 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC12COC2 ZINC001161508193 780020016 /nfs/dbraw/zinc/02/00/16/780020016.db2.gz BZSVJPLRLRYJMU-GIPNMCIBSA-N 3 2 266.345 -1.876 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C2)C1 ZINC001161532724 780020585 /nfs/dbraw/zinc/02/05/85/780020585.db2.gz XHEPEHCOEUQSEF-GWCFXTLKSA-N 3 2 250.346 -1.288 20 0 CAADLP O=C(N1CC[NH2+]C2(CC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161544869 780020813 /nfs/dbraw/zinc/02/08/13/780020813.db2.gz HJGLNKOUALLOJO-GWCFXTLKSA-N 3 2 250.346 -1.098 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C2)C1 ZINC001161532726 780020924 /nfs/dbraw/zinc/02/09/24/780020924.db2.gz XHEPEHCOEUQSEF-GXFFZTMASA-N 3 2 250.346 -1.288 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C2)C1 ZINC001161532727 780021172 /nfs/dbraw/zinc/02/11/72/780021172.db2.gz XHEPEHCOEUQSEF-MFKMUULPSA-N 3 2 250.346 -1.288 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2)C1 ZINC001161532356 780021239 /nfs/dbraw/zinc/02/12/39/780021239.db2.gz QVJVHMHGJCGADQ-HUTHGQBESA-N 2 2 259.375 -1.144 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[NH2+]C2(CC2)C1 ZINC001161545269 780021396 /nfs/dbraw/zinc/02/13/96/780021396.db2.gz ORVLFEBSOBPNAE-GARJFASQSA-N 3 2 250.346 -1.099 20 0 CAADLP O=C(c1nnn2c1C[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556337 780023005 /nfs/dbraw/zinc/02/30/05/780023005.db2.gz MDFGYEOXLFFIQF-UHFFFAOYSA-N 2 2 262.317 -1.041 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncnc3c2C[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162437681 780036638 /nfs/dbraw/zinc/03/66/38/780036638.db2.gz CPIPNKCPNMOKEA-FXPVBKGRSA-N 2 2 262.321 -2.423 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncc3c(n2)C[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162440298 780043570 /nfs/dbraw/zinc/04/35/70/780043570.db2.gz QPEHDXMEYJQZDZ-BBBLOLIVSA-N 2 2 262.321 -2.423 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594496 780059547 /nfs/dbraw/zinc/05/95/47/780059547.db2.gz ZZUXNVVKTNHRSV-UHFFFAOYSA-N 2 2 296.331 -1.436 20 0 CAADLP [NH3+]Cc1nccnc1NC[C@@]1(CO)COCC[NH2+]1 ZINC001164046510 780068328 /nfs/dbraw/zinc/06/83/28/780068328.db2.gz MCLDTWVUOOVHOZ-LLVKDONJSA-N 2 2 253.306 -1.302 20 0 CAADLP CN(C)c1cc(N2CCNC(=O)C23C[NH2+]C3)nc[nH+]1 ZINC001165297370 780077941 /nfs/dbraw/zinc/07/79/41/780077941.db2.gz FCFOCZQGABAQNP-UHFFFAOYSA-N 2 2 262.317 -1.179 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCO ZINC001165732356 780088338 /nfs/dbraw/zinc/08/83/38/780088338.db2.gz ZUHRTYXUSOFAPP-LBPRGKRZSA-N 2 2 297.359 -1.455 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCO ZINC001165732356 780088347 /nfs/dbraw/zinc/08/83/47/780088347.db2.gz ZUHRTYXUSOFAPP-LBPRGKRZSA-N 2 2 297.359 -1.455 20 0 CAADLP CO[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377134 780144405 /nfs/dbraw/zinc/14/44/05/780144405.db2.gz ZQCZWQXYGYBOAD-GRYCIOLGSA-N 2 2 298.387 -1.358 20 0 CAADLP CO[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377134 780144407 /nfs/dbraw/zinc/14/44/07/780144407.db2.gz ZQCZWQXYGYBOAD-GRYCIOLGSA-N 2 2 298.387 -1.358 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nnnn1C ZINC001218497149 780166312 /nfs/dbraw/zinc/16/63/12/780166312.db2.gz OTMDTQDFVZSBAL-ZETCQYMHSA-N 2 2 250.266 -1.548 20 0 CAADLP [NH3+]C1(C(=O)Nc2ncnc3n[nH]nc32)CC[NH2+]CC1 ZINC001218516315 780167514 /nfs/dbraw/zinc/16/75/14/780167514.db2.gz YUGPLNSELXNYAY-UHFFFAOYSA-N 2 2 262.277 -1.233 20 0 CAADLP NC(=O)c1n[nH]cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218564092 780169924 /nfs/dbraw/zinc/16/99/24/780169924.db2.gz IASTXJZEAJTCHO-UHFFFAOYSA-N 2 2 252.278 -1.472 20 0 CAADLP NC(=O)c1[nH]ncc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218563526 780170207 /nfs/dbraw/zinc/17/02/07/780170207.db2.gz CFPHYWBGJSGXNN-MRVPVSSYSA-N 2 2 295.347 -1.803 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nccnc2N2CCOCC2)C1 ZINC001218571116 780171723 /nfs/dbraw/zinc/17/17/23/780171723.db2.gz QSQZEJMWANVDPJ-ZJUUUORDSA-N 2 2 292.343 -1.059 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218576799 780172248 /nfs/dbraw/zinc/17/22/48/780172248.db2.gz ZMGUQKPTZCSJEP-VIFPVBQESA-N 2 2 280.332 -1.072 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cncc(N3CCOCC3)n2)C1 ZINC001218575775 780172392 /nfs/dbraw/zinc/17/23/92/780172392.db2.gz LIWPTJMXECXXKR-ZJUUUORDSA-N 2 2 292.343 -1.059 20 0 CAADLP Nc1c(=O)c(=O)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218589280 780173245 /nfs/dbraw/zinc/17/32/45/780173245.db2.gz VIGRGBZHCZYUKV-UHFFFAOYSA-N 2 2 252.274 -1.855 20 0 CAADLP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn2)CC1 ZINC001218580703 780173773 /nfs/dbraw/zinc/17/37/73/780173773.db2.gz VYGSNNOJYYJZHX-NSHDSACASA-N 3 2 293.375 -1.157 20 0 CAADLP NC(=O)c1nccnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218617376 780174719 /nfs/dbraw/zinc/17/47/19/780174719.db2.gz FTOCWKYBFILNTP-QHMRUWFYSA-N 2 2 276.300 -1.264 20 0 CAADLP NC(=O)c1nccnc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218617568 780174903 /nfs/dbraw/zinc/17/49/03/780174903.db2.gz IUVNKUDGEGYQPM-RITPCOANSA-N 2 2 250.262 -1.797 20 0 CAADLP COC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001218611442 780175235 /nfs/dbraw/zinc/17/52/35/780175235.db2.gz XELVRIGRCUYUQU-IUCAKERBSA-N 2 2 267.289 -1.459 20 0 CAADLP NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218616924 780175277 /nfs/dbraw/zinc/17/52/77/780175277.db2.gz BEINKVLHPXXGFS-ZETCQYMHSA-N 2 2 275.272 -1.193 20 0 CAADLP CC(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ncn1 ZINC001218611080 780175455 /nfs/dbraw/zinc/17/54/55/780175455.db2.gz VBGPPYPDSAMDOF-YUMQZZPRSA-N 2 2 264.289 -1.080 20 0 CAADLP COC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001218611507 780175571 /nfs/dbraw/zinc/17/55/71/780175571.db2.gz ZMZULTXFPOIWHU-APPZFPTMSA-N 2 2 267.289 -1.316 20 0 CAADLP N=c1c(N)cnc(Cl)n1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218624537 780176900 /nfs/dbraw/zinc/17/69/00/780176900.db2.gz LHYYMXYHCVWFCE-WHFBIAKZSA-N 2 2 256.697 -1.215 20 0 CAADLP NC(=O)c1nccnc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218619091 780177013 /nfs/dbraw/zinc/17/70/13/780177013.db2.gz XMBWPPMZRDFITO-UHFFFAOYSA-N 2 2 264.289 -1.405 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652623 780178214 /nfs/dbraw/zinc/17/82/14/780178214.db2.gz MFOXDDOSIFMLGP-SNVBAGLBSA-N 2 2 280.332 -1.129 20 0 CAADLP [NH3+]C[C@@H](O)CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669767 780180470 /nfs/dbraw/zinc/18/04/70/780180470.db2.gz WBLPLMHXJZWZAM-LBPRGKRZSA-N 2 2 297.359 -1.137 20 0 CAADLP NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218751233 780184174 /nfs/dbraw/zinc/18/41/74/780184174.db2.gz SHUOTLTWXAZJLI-QMMMGPOBSA-N 2 2 273.318 -1.656 20 0 CAADLP NS(=O)(=O)c1cncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218750745 780184971 /nfs/dbraw/zinc/18/49/71/780184971.db2.gz KGBRXQIYVQDLTL-IUCAKERBSA-N 2 2 285.329 -1.786 20 0 CAADLP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218914456 780185647 /nfs/dbraw/zinc/18/56/47/780185647.db2.gz CGYINCIYFDIMBZ-QMMMGPOBSA-N 2 2 287.345 -1.469 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001219552860 780228903 /nfs/dbraw/zinc/22/89/03/780228903.db2.gz MJBPHMOBRMGRNK-MNOVXSKESA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219552860 780228913 /nfs/dbraw/zinc/22/89/13/780228913.db2.gz MJBPHMOBRMGRNK-MNOVXSKESA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550556 780229659 /nfs/dbraw/zinc/22/96/59/780229659.db2.gz CNMHINWTEDUUKB-AXFHLTTASA-N 2 2 282.344 -1.116 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550556 780229663 /nfs/dbraw/zinc/22/96/63/780229663.db2.gz CNMHINWTEDUUKB-AXFHLTTASA-N 2 2 282.344 -1.116 20 0 CAADLP C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219558561 780230094 /nfs/dbraw/zinc/23/00/94/780230094.db2.gz QYWUBPREBXSJOL-FKTZTGRPSA-N 2 2 256.306 -1.852 20 0 CAADLP NC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219561766 780230192 /nfs/dbraw/zinc/23/01/92/780230192.db2.gz OWLLPZJDMHTQIK-NXEZZACHSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219561766 780230201 /nfs/dbraw/zinc/23/02/01/780230201.db2.gz OWLLPZJDMHTQIK-NXEZZACHSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219561769 780230418 /nfs/dbraw/zinc/23/04/18/780230418.db2.gz OWLLPZJDMHTQIK-VHSXEESVSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219561769 780230424 /nfs/dbraw/zinc/23/04/24/780230424.db2.gz OWLLPZJDMHTQIK-VHSXEESVSA-N 2 2 254.334 -1.338 20 0 CAADLP O=C(NCCn1ccnn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219565910 780231633 /nfs/dbraw/zinc/23/16/33/780231633.db2.gz PRPDRPBRKFGGKJ-KOLCDFICSA-N 2 2 250.306 -1.654 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCn1ccnn1 ZINC001219565651 780231793 /nfs/dbraw/zinc/23/17/93/780231793.db2.gz LHOIMQYFUHKRDU-NSHDSACASA-N 2 2 281.364 -1.855 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCn1ccnn1 ZINC001219565924 780232225 /nfs/dbraw/zinc/23/22/25/780232225.db2.gz PXRWBBGKOLUREE-JTQLQIEISA-N 2 2 263.305 -1.302 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCn1cc[nH+]c1 ZINC001219563724 780232337 /nfs/dbraw/zinc/23/23/37/780232337.db2.gz JSBJTRFEMDDPAD-GFCCVEGCSA-N 3 2 280.376 -1.250 20 0 CAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001219564151 780232427 /nfs/dbraw/zinc/23/24/27/780232427.db2.gz TYNNBUXZJVHAPC-JTQLQIEISA-N 2 2 265.317 -1.051 20 0 CAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCn1cc[nH+]c1 ZINC001219564317 780232461 /nfs/dbraw/zinc/23/24/61/780232461.db2.gz XWNOWAHQSBVFRX-IUCAKERBSA-N 2 2 296.331 -2.293 20 0 CAADLP O=C(NCCn1ccnn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219565912 780232683 /nfs/dbraw/zinc/23/26/83/780232683.db2.gz PRPDRPBRKFGGKJ-ONGXEEELSA-N 2 2 250.306 -1.654 20 0 CAADLP O=C(NCCn1cc[nH+]c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219563721 780232727 /nfs/dbraw/zinc/23/27/27/780232727.db2.gz JNSJYRBEFOSZSR-JTQLQIEISA-N 2 2 265.317 -1.670 20 0 CAADLP O=C(CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)N1CCOCC1 ZINC001219573681 780234199 /nfs/dbraw/zinc/23/41/99/780234199.db2.gz QURWCPRAGGFVIC-FZMZJTMJSA-N 2 2 296.371 -1.697 20 0 CAADLP O=C(CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)N1CCOCC1 ZINC001219573682 780234438 /nfs/dbraw/zinc/23/44/38/780234438.db2.gz QURWCPRAGGFVIC-RISCZKNCSA-N 2 2 296.371 -1.697 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219593974 780235383 /nfs/dbraw/zinc/23/53/83/780235383.db2.gz SVEURVMJTHBRQX-ZETCQYMHSA-N 3 2 252.340 -2.201 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219595652 780235605 /nfs/dbraw/zinc/23/56/05/780235605.db2.gz JSFFGVMQHRCIOF-SECBINFHSA-N 3 2 278.378 -1.940 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219595922 780236692 /nfs/dbraw/zinc/23/66/92/780236692.db2.gz WGJFLLAAQMCYNL-RQJHMYQMSA-N 3 2 250.324 -2.578 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611561 780238568 /nfs/dbraw/zinc/23/85/68/780238568.db2.gz ZWTYZNRFVHMCQS-XNCJUZBTSA-N 2 2 293.253 -1.520 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219615592 780238802 /nfs/dbraw/zinc/23/88/02/780238802.db2.gz BPAAYIRKAOZAEX-GMXVVIOVSA-N 3 2 299.350 -1.531 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617592 780239603 /nfs/dbraw/zinc/23/96/03/780239603.db2.gz MSGAKXSZWMZWPO-JOYOIKCWSA-N 2 2 288.323 -2.403 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219618150 780240512 /nfs/dbraw/zinc/24/05/12/780240512.db2.gz WPJASEYVAJBOFZ-XPORZQOISA-N 3 2 286.351 -1.885 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219621964 780240999 /nfs/dbraw/zinc/24/09/99/780240999.db2.gz LFUDWDGXIGYDIC-FTYOSLGDSA-N 3 2 260.313 -2.146 20 0 CAADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219635354 780242878 /nfs/dbraw/zinc/24/28/78/780242878.db2.gz BYBUKFNPIZOZRM-WDCWCFNPSA-N 3 2 256.325 -1.246 20 0 CAADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219635352 780243039 /nfs/dbraw/zinc/24/30/39/780243039.db2.gz BYBUKFNPIZOZRM-GMOBBJLQSA-N 3 2 256.325 -1.246 20 0 CAADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219635351 780243129 /nfs/dbraw/zinc/24/31/29/780243129.db2.gz BYBUKFNPIZOZRM-FYLLDIAZSA-N 3 2 256.325 -1.246 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1n[nH]c2c1C[NH2+]C2 ZINC001219628564 780243288 /nfs/dbraw/zinc/24/32/88/780243288.db2.gz YUDPJLUAIYDCIC-JOYOIKCWSA-N 2 2 283.307 -1.195 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1[nH]nc2c1C[NH2+]C2 ZINC001219628564 780243292 /nfs/dbraw/zinc/24/32/92/780243292.db2.gz YUDPJLUAIYDCIC-JOYOIKCWSA-N 2 2 283.307 -1.195 20 0 CAADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219635353 780243378 /nfs/dbraw/zinc/24/33/78/780243378.db2.gz BYBUKFNPIZOZRM-QFOLPQNPSA-N 3 2 256.325 -1.246 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c1 ZINC001219632517 780243542 /nfs/dbraw/zinc/24/35/42/780243542.db2.gz ODQJOCPJHDQHOT-NSHDSACASA-N 2 2 279.344 -1.591 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219632475 780243699 /nfs/dbraw/zinc/24/36/99/780243699.db2.gz NNUPVGMGZDOLLZ-LLVKDONJSA-N 3 2 263.345 -1.112 20 0 CAADLP Cn1nc2c(c1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C[NH2+]C2 ZINC001219630751 780243934 /nfs/dbraw/zinc/24/39/34/780243934.db2.gz JBDOLOMHYFJVGI-GXFFZTMASA-N 2 2 297.334 -1.184 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)[C@H]([NH3+])CCCNC(N)=O)c1 ZINC001219633248 780244167 /nfs/dbraw/zinc/24/41/67/780244167.db2.gz ZQJOTBPUQSWPOO-SNVBAGLBSA-N 2 2 282.348 -1.145 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001219641582 780244791 /nfs/dbraw/zinc/24/47/91/780244791.db2.gz JDURMBISEVOPCN-WDEREUQCSA-N 2 2 268.361 -1.220 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219669111 780245431 /nfs/dbraw/zinc/24/54/31/780245431.db2.gz LPAJZMXMYALWBN-SCZZXKLOSA-N 2 2 286.357 -1.407 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638585 780245449 /nfs/dbraw/zinc/24/54/49/780245449.db2.gz NLTXATWSZYJADW-ZMLRMANQSA-N 3 2 287.383 -1.447 20 0 CAADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219642260 780245590 /nfs/dbraw/zinc/24/55/90/780245590.db2.gz QUGMVCKYCRMGDQ-CIUDSAMLSA-N 2 2 267.337 -1.569 20 0 CAADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001219641580 780245686 /nfs/dbraw/zinc/24/56/86/780245686.db2.gz JDURMBISEVOPCN-MNOVXSKESA-N 2 2 268.361 -1.220 20 0 CAADLP COC(=O)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219975937 780286581 /nfs/dbraw/zinc/28/65/81/780286581.db2.gz ZEYRPXSLCFYPDG-VIFPVBQESA-N 2 2 258.322 -1.974 20 0 CAADLP C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C[NH2+]1 ZINC001219684775 780248065 /nfs/dbraw/zinc/24/80/65/780248065.db2.gz RXAJVHJEARJKCB-WZRBSPASSA-N 3 2 283.420 -1.149 20 0 CAADLP CCOC(=O)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219693098 780248109 /nfs/dbraw/zinc/24/81/09/780248109.db2.gz NMWQYKVDCHMOMP-NSHDSACASA-N 2 2 286.376 -1.194 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(C(N)=O)CC1 ZINC001219682981 780248278 /nfs/dbraw/zinc/24/82/78/780248278.db2.gz RNJPUQLCFXSOBV-QMMMGPOBSA-N 2 2 251.290 -1.576 20 0 CAADLP NC(=O)C1(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001219681935 780248375 /nfs/dbraw/zinc/24/83/75/780248375.db2.gz FOTGZQVCQYTYFO-SECBINFHSA-N 2 2 269.349 -2.129 20 0 CAADLP CN(C(=O)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001219693485 780248620 /nfs/dbraw/zinc/24/86/20/780248620.db2.gz ZDUUDPQLHBIRJF-UWVGGRQHSA-N 2 2 254.334 -1.340 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694955 780249905 /nfs/dbraw/zinc/24/99/05/780249905.db2.gz OILGVNCYMWEDHB-UWVGGRQHSA-N 2 2 259.306 -1.676 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694955 780249908 /nfs/dbraw/zinc/24/99/08/780249908.db2.gz OILGVNCYMWEDHB-UWVGGRQHSA-N 2 2 259.306 -1.676 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219695576 780249940 /nfs/dbraw/zinc/24/99/40/780249940.db2.gz WVDFLCYPBWJTEU-JQWIXIFHSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219695576 780249943 /nfs/dbraw/zinc/24/99/43/780249943.db2.gz WVDFLCYPBWJTEU-JQWIXIFHSA-N 2 2 256.350 -1.486 20 0 CAADLP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695271 780249974 /nfs/dbraw/zinc/24/99/74/780249974.db2.gz SVQBUBZAQCIINK-RYUDHWBXSA-N 2 2 281.360 -1.263 20 0 CAADLP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695271 780249976 /nfs/dbraw/zinc/24/99/76/780249976.db2.gz SVQBUBZAQCIINK-RYUDHWBXSA-N 2 2 281.360 -1.263 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697032 780250038 /nfs/dbraw/zinc/25/00/38/780250038.db2.gz PAOQXEZAMNOBNW-LLVKDONJSA-N 3 2 285.392 -2.423 20 0 CAADLP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219697289 780250048 /nfs/dbraw/zinc/25/00/48/780250048.db2.gz QRZAUUUVYMCEDD-LPEHRKFASA-N 3 2 254.334 -2.223 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219695575 780250165 /nfs/dbraw/zinc/25/01/65/780250165.db2.gz WVDFLCYPBWJTEU-CMPLNLGQSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219695575 780250170 /nfs/dbraw/zinc/25/01/70/780250170.db2.gz WVDFLCYPBWJTEU-CMPLNLGQSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695471 780250365 /nfs/dbraw/zinc/25/03/65/780250365.db2.gz USTZOBWWOZKJSR-MNOVXSKESA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695471 780250370 /nfs/dbraw/zinc/25/03/70/780250370.db2.gz USTZOBWWOZKJSR-MNOVXSKESA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219695577 780251149 /nfs/dbraw/zinc/25/11/49/780251149.db2.gz WVDFLCYPBWJTEU-PWSUYJOCSA-N 2 2 256.350 -1.486 20 0 CAADLP O=C(NCCC1(O)C[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219696199 780251000 /nfs/dbraw/zinc/25/10/00/780251000.db2.gz CCJDNQSHZDXRIE-BXKDBHETSA-N 3 2 254.334 -2.222 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001219695577 780251146 /nfs/dbraw/zinc/25/11/46/780251146.db2.gz WVDFLCYPBWJTEU-PWSUYJOCSA-N 2 2 256.350 -1.486 20 0 CAADLP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695270 780251160 /nfs/dbraw/zinc/25/11/60/780251160.db2.gz SVQBUBZAQCIINK-NEPJUHHUSA-N 2 2 281.360 -1.263 20 0 CAADLP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695270 780251164 /nfs/dbraw/zinc/25/11/64/780251164.db2.gz SVQBUBZAQCIINK-NEPJUHHUSA-N 2 2 281.360 -1.263 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720913 780254270 /nfs/dbraw/zinc/25/42/70/780254270.db2.gz VJMXNDDGOSUIQY-LPEHRKFASA-N 3 2 253.306 -1.868 20 0 CAADLP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219737275 780255073 /nfs/dbraw/zinc/25/50/73/780255073.db2.gz RUPKCBQVZRMEOA-COPLHBTASA-N 3 2 280.372 -1.567 20 0 CAADLP [NH3+]C1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]CC1 ZINC001219737041 780255311 /nfs/dbraw/zinc/25/53/11/780255311.db2.gz NKZMRPWIVKTNDF-JTQLQIEISA-N 3 2 268.361 -1.438 20 0 CAADLP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219736921 780255476 /nfs/dbraw/zinc/25/54/76/780255476.db2.gz LAWJJPMOJHKVBV-FIQHERPVSA-N 3 2 280.372 -1.569 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737509 780255554 /nfs/dbraw/zinc/25/55/54/780255554.db2.gz XWGVRGYNSXTCFA-GHMZBOCLSA-N 3 2 279.344 -1.226 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737085 780255969 /nfs/dbraw/zinc/25/59/69/780255969.db2.gz OLBQACUGMCDGQH-NEPJUHHUSA-N 3 2 293.371 -1.215 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219749840 780257021 /nfs/dbraw/zinc/25/70/21/780257021.db2.gz RBWHGCVEWPVSRS-IUCAKERBSA-N 3 2 279.348 -1.923 20 0 CAADLP [NH3+][C@@H]1CN[C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219749840 780257026 /nfs/dbraw/zinc/25/70/26/780257026.db2.gz RBWHGCVEWPVSRS-IUCAKERBSA-N 2 2 279.348 -1.923 20 0 CAADLP [NH3+]C1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]CC1 ZINC001219749346 780257366 /nfs/dbraw/zinc/25/73/66/780257366.db2.gz LKFYPRWMWGGIQD-UHFFFAOYSA-N 3 2 293.375 -1.532 20 0 CAADLP [NH3+]C1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH2+]CC1 ZINC001219799845 780260734 /nfs/dbraw/zinc/26/07/34/780260734.db2.gz DUXAGZAXOHEKIU-LLVKDONJSA-N 3 2 282.388 -1.048 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1 ZINC001219799731 780261614 /nfs/dbraw/zinc/26/16/14/780261614.db2.gz BISQTPMHVHNBKQ-MXWKQRLJSA-N 3 2 268.361 -1.440 20 0 CAADLP [NH3+]C1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH2+]CC1 ZINC001219799846 780261721 /nfs/dbraw/zinc/26/17/21/780261721.db2.gz DUXAGZAXOHEKIU-NSHDSACASA-N 3 2 282.388 -1.048 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801321 780262098 /nfs/dbraw/zinc/26/20/98/780262098.db2.gz XRKOTASSHOSLKY-VWYCJHECSA-N 3 2 268.361 -1.582 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2noc3c2C[NH2+]CC3)C1 ZINC001219810919 780262286 /nfs/dbraw/zinc/26/22/86/780262286.db2.gz HCGPJRIGGHRPJO-CBAPKCEASA-N 3 2 265.317 -1.374 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219809479 780262549 /nfs/dbraw/zinc/26/25/49/780262549.db2.gz LYJBMYCWUVTXFH-INTQDDNPSA-N 3 2 291.355 -1.114 20 0 CAADLP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1COC[NH2+]1 ZINC001219802717 780262692 /nfs/dbraw/zinc/26/26/92/780262692.db2.gz AVUQIZQRENEBMB-JTQLQIEISA-N 2 2 293.327 -1.701 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219809994 780262841 /nfs/dbraw/zinc/26/28/41/780262841.db2.gz YNYSGKXWMPPBNB-OTYXRUKQSA-N 3 2 291.355 -1.112 20 0 CAADLP [NH3+]C1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]CC1 ZINC001219812907 780263147 /nfs/dbraw/zinc/26/31/47/780263147.db2.gz KQSBNABGWKLLLZ-JQWIXIFHSA-N 3 2 268.361 -1.581 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219809995 780263325 /nfs/dbraw/zinc/26/33/25/780263325.db2.gz YNYSGKXWMPPBNB-XPTSAGLGSA-N 3 2 291.355 -1.112 20 0 CAADLP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219831216 780264297 /nfs/dbraw/zinc/26/42/97/780264297.db2.gz BRIAYGMHXYPPKX-NGFXDRFKSA-N 3 2 280.372 -1.571 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831681 780264539 /nfs/dbraw/zinc/26/45/39/780264539.db2.gz UIPMCLRCQCNBAV-HKWIRBFKSA-N 3 2 279.344 -1.227 20 0 CAADLP [NH3+]C1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]CC1 ZINC001219831239 780264807 /nfs/dbraw/zinc/26/48/07/780264807.db2.gz CSCVMDJNKYUPGB-MXWKQRLJSA-N 3 2 268.361 -1.440 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814414 780265015 /nfs/dbraw/zinc/26/50/15/780265015.db2.gz DGFVBPRZAAXGPF-GMOBBJLQSA-N 3 2 254.334 -2.115 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837057 780266154 /nfs/dbraw/zinc/26/61/54/780266154.db2.gz HCBVEGOOOYRZSM-MNXVOIDGSA-N 3 2 298.387 -1.813 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837062 780266385 /nfs/dbraw/zinc/26/63/85/780266385.db2.gz HCBVEGOOOYRZSM-UHXUPSOCSA-N 3 2 298.387 -1.813 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837060 780266722 /nfs/dbraw/zinc/26/67/22/780266722.db2.gz HCBVEGOOOYRZSM-OPDFLTKYSA-N 3 2 298.387 -1.813 20 0 CAADLP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219847622 780267203 /nfs/dbraw/zinc/26/72/03/780267203.db2.gz MZTBNSCJAOWUSI-GCQYFTOKSA-N 3 2 280.372 -1.427 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839217 780268190 /nfs/dbraw/zinc/26/81/90/780268190.db2.gz YFJIZDCIWIDBHH-ZJQBRPOHSA-N 3 2 298.387 -1.956 20 0 CAADLP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219850193 780268672 /nfs/dbraw/zinc/26/86/72/780268672.db2.gz NNAGNIMWSHVVJJ-BAYHKCFCSA-N 3 2 294.399 -1.321 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847551 780268687 /nfs/dbraw/zinc/26/86/87/780268687.db2.gz KJOZDZRKPGWKMT-ZDEQEGDKSA-N 3 2 293.371 -1.075 20 0 CAADLP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219854488 780269354 /nfs/dbraw/zinc/26/93/54/780269354.db2.gz KCDDTSWZPPGDFU-BZNQNGANSA-N 3 2 266.345 -1.959 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852023 780269473 /nfs/dbraw/zinc/26/94/73/780269473.db2.gz KFFXMYMKFJZAEH-UHFZAUJKSA-N 3 2 268.361 -1.726 20 0 CAADLP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219850593 780269574 /nfs/dbraw/zinc/26/95/74/780269574.db2.gz YKUDXJMZULNZNI-SNIKSBKOSA-N 3 2 294.399 -1.323 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850600 780269854 /nfs/dbraw/zinc/26/98/54/780269854.db2.gz YWFGQXWUSFANMY-AATLWQCWSA-N 2 2 295.347 -2.190 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850573 780269982 /nfs/dbraw/zinc/26/99/82/780269982.db2.gz YBMDUOKXNHYZLI-XWLWVQCSSA-N 2 2 285.344 -1.383 20 0 CAADLP [NH3+]C1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC[NH2+]CC1 ZINC001219856480 780270246 /nfs/dbraw/zinc/27/02/46/780270246.db2.gz OGSBHKIFIIEOBJ-KXUCPTDWSA-N 3 2 254.334 -1.830 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC001219879715 780270997 /nfs/dbraw/zinc/27/09/97/780270997.db2.gz LOZKAGPAJDMURO-YEPSODPASA-N 2 2 270.289 -1.682 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H](C)O ZINC001219879680 780271065 /nfs/dbraw/zinc/27/10/65/780271065.db2.gz JQBYMGPSEDTHNM-JEZHCXPESA-N 2 2 284.316 -1.672 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H](O)CO ZINC001219865405 780271948 /nfs/dbraw/zinc/27/19/48/780271948.db2.gz NFVFMYVPUPOTKM-ZJUUUORDSA-N 2 2 260.338 -2.794 20 0 CAADLP CCOC(=O)CC(=N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219882824 780273628 /nfs/dbraw/zinc/27/36/28/780273628.db2.gz OKFADVUPKWOTET-XHNCKOQMSA-N 2 2 268.317 -1.017 20 0 CAADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219890320 780274261 /nfs/dbraw/zinc/27/42/61/780274261.db2.gz GUDXCNVLOCCZOL-KLKTVBQGSA-N 2 2 278.356 -1.055 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219890245 780274292 /nfs/dbraw/zinc/27/42/92/780274292.db2.gz FYUCUFVYPIXQNW-GCQYFTOKSA-N 2 2 278.356 -1.327 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219889863 780274383 /nfs/dbraw/zinc/27/43/83/780274383.db2.gz BXDHFCQIBCGKLT-IMIFBBOLSA-N 2 2 278.356 -1.325 20 0 CAADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001219890836 780274508 /nfs/dbraw/zinc/27/45/08/780274508.db2.gz LFKQCGRCIMRYML-MWGHHZFTSA-N 2 2 252.318 -1.587 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219889862 780274523 /nfs/dbraw/zinc/27/45/23/780274523.db2.gz BXDHFCQIBCGKLT-AUZPSNTRSA-N 2 2 278.356 -1.325 20 0 CAADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219890246 780274553 /nfs/dbraw/zinc/27/45/53/780274553.db2.gz FYUCUFVYPIXQNW-SVPLCASGSA-N 2 2 278.356 -1.327 20 0 CAADLP O=C(N[C@@H]1SC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219904126 780275938 /nfs/dbraw/zinc/27/59/38/780275938.db2.gz RAEJQIYVSUDILZ-AZTOOPQRSA-N 2 2 284.341 -1.389 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219918112 780277139 /nfs/dbraw/zinc/27/71/39/780277139.db2.gz FDCCPUNQDYYFBQ-JTQLQIEISA-N 3 2 255.322 -2.012 20 0 CAADLP O=C(N[C@@H]1SC(=O)NC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219904690 780277182 /nfs/dbraw/zinc/27/71/82/780277182.db2.gz ZHBMLXSNKNAJNF-SVGQVSJJSA-N 2 2 270.314 -1.779 20 0 CAADLP O=C(N[C@@H]1SC(=O)NC1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219904693 780277223 /nfs/dbraw/zinc/27/72/23/780277223.db2.gz ZHBMLXSNKNAJNF-YLWLKBPMSA-N 2 2 270.314 -1.779 20 0 CAADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001219934903 780278407 /nfs/dbraw/zinc/27/84/07/780278407.db2.gz SDARHMIGQOGNNF-WPRPVWTQSA-N 2 2 283.332 -1.868 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959413 780280225 /nfs/dbraw/zinc/28/02/25/780280225.db2.gz UFYHIIZOXUILFL-GHMZBOCLSA-N 2 2 283.376 -1.868 20 0 CAADLP Cc1c[nH]c(CCNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)[nH+]1 ZINC001219952311 780280360 /nfs/dbraw/zinc/28/03/60/780280360.db2.gz RZNBYNLUIHWJKE-SNVBAGLBSA-N 2 2 279.344 -1.293 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219960896 780280968 /nfs/dbraw/zinc/28/09/68/780280968.db2.gz BXZZLLFUPAAQEI-XHNCKOQMSA-N 2 2 276.362 -2.398 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959408 780281371 /nfs/dbraw/zinc/28/13/71/780281371.db2.gz UCPKVSDYXUWKTC-WPRPVWTQSA-N 2 2 265.317 -1.315 20 0 CAADLP Cc1nonc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219948207 780281469 /nfs/dbraw/zinc/28/14/69/780281469.db2.gz ORKPXZJHIQDDRV-GZMMTYOYSA-N 2 2 251.290 -1.054 20 0 CAADLP O=C(NC[C@H]1CCC(=O)N1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219959209 780281501 /nfs/dbraw/zinc/28/15/01/780281501.db2.gz MTIMKXXEOOAINS-SBMIAAHKSA-N 2 2 252.318 -1.667 20 0 CAADLP O=C(NC[C@H]1CCC(=O)N1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219958986 780281585 /nfs/dbraw/zinc/28/15/85/780281585.db2.gz CYXQJBWASBBNNB-QCLAVDOMSA-N 2 2 252.318 -1.669 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])COC(C)=O)C[NH2+]1 ZINC001219965644 780282443 /nfs/dbraw/zinc/28/24/43/780282443.db2.gz VRHQQEVAERIXNM-VGMNWLOBSA-N 2 2 273.289 -2.104 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[NH2+]1 ZINC001219965420 780282865 /nfs/dbraw/zinc/28/28/65/780282865.db2.gz MWDWZTRUQBCTMS-JQJHNJSSSA-N 2 2 291.373 -1.898 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219961177 780283003 /nfs/dbraw/zinc/28/30/03/780283003.db2.gz IJCFTTQZHGRTAW-VIFPVBQESA-N 2 2 289.361 -2.045 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219961428 780283189 /nfs/dbraw/zinc/28/31/89/780283189.db2.gz KHSVDIQWACGUDI-QMMMGPOBSA-N 2 2 275.334 -2.055 20 0 CAADLP NC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001219963201 780283410 /nfs/dbraw/zinc/28/34/10/780283410.db2.gz RYJXSEJYWZQLPK-QWRGUYRKSA-N 2 2 262.313 -1.052 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219968026 780283717 /nfs/dbraw/zinc/28/37/17/780283717.db2.gz SRVNHKKWKYQRLR-KOLCDFICSA-N 2 2 292.343 -1.082 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]1 ZINC001219967654 780283832 /nfs/dbraw/zinc/28/38/32/780283832.db2.gz DMYAZBMKDOZOAC-OUAUKWLOSA-N 3 2 284.360 -1.667 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC[C@@H]2O)C[NH2+]1 ZINC001219967830 780284096 /nfs/dbraw/zinc/28/40/96/780284096.db2.gz LEGYUQWOMLSREH-XGEHTFHBSA-N 2 2 257.290 -2.271 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@H]2O)C[NH2+]1 ZINC001219967584 780284124 /nfs/dbraw/zinc/28/41/24/780284124.db2.gz AZVQERSHNHXUPC-RYPBNFRJSA-N 2 2 257.290 -2.414 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)C[NH2+]1 ZINC001219965768 780284166 /nfs/dbraw/zinc/28/41/66/780284166.db2.gz ZUEPWLUWLLMOTG-ZJUUUORDSA-N 2 2 270.333 -2.089 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969436 780284207 /nfs/dbraw/zinc/28/42/07/780284207.db2.gz ACVZHJWKZFIVPA-VGMNWLOBSA-N 2 2 253.306 -1.839 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2O)C[NH2+]1 ZINC001219967583 780284319 /nfs/dbraw/zinc/28/43/19/780284319.db2.gz AZVQERSHNHXUPC-LURQLKTLSA-N 2 2 257.290 -2.414 20 0 CAADLP O=C(NCCCc1c[nH][nH]c1=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219968319 780284338 /nfs/dbraw/zinc/28/43/38/780284338.db2.gz ZSLLEXDZVYQHRP-CWSCBRNRSA-N 2 2 279.344 -1.434 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CCCCNC(N)=[NH2+])C[NH2+]1 ZINC001219968008 780284370 /nfs/dbraw/zinc/28/43/70/780284370.db2.gz RXJMJUMHXDDHLQ-BDAKNGLRSA-N 2 2 285.348 -1.341 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001219967793 780284455 /nfs/dbraw/zinc/28/44/55/780284455.db2.gz JWYOMBHRRLLCBC-KATARQTJSA-N 2 2 273.308 -1.046 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C[NH2+]1 ZINC001219965711 780284508 /nfs/dbraw/zinc/28/45/08/780284508.db2.gz XZBBDUZLKRJBNB-VGMNWLOBSA-N 3 2 258.322 -1.928 20 0 CAADLP O=C(NCCCc1c[nH][nH]c1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219967730 780284668 /nfs/dbraw/zinc/28/46/68/780284668.db2.gz HRIGJSJHXVBMPU-VPOLOUISSA-N 2 2 279.344 -1.436 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C[NH2+]1 ZINC001219965710 780284725 /nfs/dbraw/zinc/28/47/25/780284725.db2.gz XZBBDUZLKRJBNB-HLTSFMKQSA-N 3 2 258.322 -1.928 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2O)C[NH2+]1 ZINC001219967585 780284844 /nfs/dbraw/zinc/28/48/44/780284844.db2.gz AZVQERSHNHXUPC-XGEHTFHBSA-N 2 2 257.290 -2.414 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C[C@H]2F)C[NH2+]1 ZINC001219967795 780285328 /nfs/dbraw/zinc/28/53/28/780285328.db2.gz JWYOMBHRRLLCBC-RGOKHQFPSA-N 2 2 273.308 -1.046 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C[C@H]2F)C[NH2+]1 ZINC001219967794 780285364 /nfs/dbraw/zinc/28/53/64/780285364.db2.gz JWYOMBHRRLLCBC-KYXWUPHJSA-N 2 2 273.308 -1.046 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)NC1CCCC1 ZINC001219976527 780285983 /nfs/dbraw/zinc/28/59/83/780285983.db2.gz KKCODJPECLGOLV-UWVGGRQHSA-N 2 2 254.334 -1.292 20 0 CAADLP CCn1c(N)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c(=O)n(CC)c1=O ZINC001219972049 780286017 /nfs/dbraw/zinc/28/60/17/780286017.db2.gz HZZLWOZSARRQGL-ZETCQYMHSA-N 2 2 298.347 -1.753 20 0 CAADLP COC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[NH2+]CC1 ZINC001220001225 780287123 /nfs/dbraw/zinc/28/71/23/780287123.db2.gz MFYOWMMXISTPHS-BDAKNGLRSA-N 3 2 270.333 -1.913 20 0 CAADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC[NH2+]CC1 ZINC001219998837 780287144 /nfs/dbraw/zinc/28/71/44/780287144.db2.gz CRULLMDIGZXNKA-JTQLQIEISA-N 3 2 295.343 -1.309 20 0 CAADLP Cn1c(NC(=O)C2([NH3+])CC[NH2+]CC2)c(N=O)c(=O)[nH]c1=O ZINC001219984335 780288040 /nfs/dbraw/zinc/28/80/40/780288040.db2.gz FMOLLNIEOXKKQA-UHFFFAOYSA-N 2 2 296.287 -1.097 20 0 CAADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC[NH2+]CC1 ZINC001219998772 780288401 /nfs/dbraw/zinc/28/84/01/780288401.db2.gz BHCOROVASGSGKT-ZETCQYMHSA-N 2 2 297.319 -2.519 20 0 CAADLP CN1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1=O ZINC001220007559 780289345 /nfs/dbraw/zinc/28/93/45/780289345.db2.gz PDVAMFHJMRVUEL-GIPNMCIBSA-N 2 2 266.345 -1.325 20 0 CAADLP CN1C[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC1=O ZINC001220007645 780289383 /nfs/dbraw/zinc/28/93/83/780289383.db2.gz RRJRIKUOUGCGRM-ZRUFSTJUSA-N 2 2 266.345 -1.327 20 0 CAADLP CN1C[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCC1=O ZINC001220007032 780289554 /nfs/dbraw/zinc/28/95/54/780289554.db2.gz HQOVOOHXYUFZBN-PRFIWBCESA-N 2 2 266.345 -1.055 20 0 CAADLP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220020327 780290972 /nfs/dbraw/zinc/29/09/72/780290972.db2.gz FFHZFOIGUFXHCL-LURJTMIESA-N 2 2 263.265 -2.455 20 0 CAADLP N=c1cc(C[NH3+])ncn1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220020288 780291194 /nfs/dbraw/zinc/29/11/94/780291194.db2.gz DATDMVLGPQNQIQ-UHFFFAOYSA-N 3 2 250.306 -1.458 20 0 CAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1C[NH+](C)C1 ZINC001220012948 780291428 /nfs/dbraw/zinc/29/14/28/780291428.db2.gz FAZVSUSDRHPZJW-XPUUQOCRSA-N 2 2 271.321 -2.876 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCOC1 ZINC001220020509 780292038 /nfs/dbraw/zinc/29/20/38/780292038.db2.gz LJNBVDGZRHIPFL-JQWIXIFHSA-N 2 2 270.377 -1.111 20 0 CAADLP C[NH+]1CC(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001220013352 780292143 /nfs/dbraw/zinc/29/21/43/780292143.db2.gz RUCKLDSXKLLLMV-UHFFFAOYSA-N 2 2 264.351 -2.363 20 0 CAADLP CC(C)[C@](C)(NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220023382 780292476 /nfs/dbraw/zinc/29/24/76/780292476.db2.gz WUFBEOIUWDFBAE-FZMZJTMJSA-N 2 2 299.419 -1.247 20 0 CAADLP N=c1cc(C[NH3+])ncn1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220020608 780292812 /nfs/dbraw/zinc/29/28/12/780292812.db2.gz PARPWCXVNRFNME-UHFFFAOYSA-N 3 2 264.333 -1.197 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCOC1 ZINC001220020511 780293069 /nfs/dbraw/zinc/29/30/69/780293069.db2.gz LJNBVDGZRHIPFL-ZYHUDNBSSA-N 2 2 270.377 -1.111 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031629 780295451 /nfs/dbraw/zinc/29/54/51/780295451.db2.gz YOMOVJOYUJNRKP-VHSXEESVSA-N 2 2 297.359 -2.342 20 0 CAADLP CC(C)(CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(N)=O ZINC001220032952 780295722 /nfs/dbraw/zinc/29/57/22/780295722.db2.gz FFLHGAUNZNKCAB-QMMMGPOBSA-N 2 2 253.306 -1.093 20 0 CAADLP CCOC(=O)C(=CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220043015 780295737 /nfs/dbraw/zinc/29/57/37/780295737.db2.gz AYEGZFUMQRRWGM-WPRPVWTQSA-N 2 2 299.327 -1.341 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031627 780295761 /nfs/dbraw/zinc/29/57/61/780295761.db2.gz YOMOVJOYUJNRKP-NXEZZACHSA-N 2 2 297.359 -2.342 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031630 780295947 /nfs/dbraw/zinc/29/59/47/780295947.db2.gz YOMOVJOYUJNRKP-ZJUUUORDSA-N 2 2 297.359 -2.342 20 0 CAADLP CC(C)(CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(N)=O ZINC001220032951 780296220 /nfs/dbraw/zinc/29/62/20/780296220.db2.gz FFLHGAUNZNKCAB-MRVPVSSYSA-N 2 2 253.306 -1.093 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031628 780296291 /nfs/dbraw/zinc/29/62/91/780296291.db2.gz YOMOVJOYUJNRKP-UWVGGRQHSA-N 2 2 297.359 -2.342 20 0 CAADLP CCOC(=O)C(=CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220041333 780296502 /nfs/dbraw/zinc/29/65/02/780296502.db2.gz HZPPEZIBTBBOPR-SCZZXKLOSA-N 2 2 299.327 -1.198 20 0 CAADLP COc1ncnc(OC)c1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220045230 780297255 /nfs/dbraw/zinc/29/72/55/780297255.db2.gz RDJSZUOMJRZVPY-APPZFPTMSA-N 2 2 281.316 -1.201 20 0 CAADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220043455 780297347 /nfs/dbraw/zinc/29/73/47/780297347.db2.gz RYAGFEGYIMPIFO-IUCAKERBSA-N 3 2 250.306 -1.683 20 0 CAADLP COc1ncnc(OC)c1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220045235 780297772 /nfs/dbraw/zinc/29/77/72/780297772.db2.gz RKSPNPJCAKOSSW-CBAPKCEASA-N 2 2 281.316 -1.343 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nn[nH]n1 ZINC001220073585 780299237 /nfs/dbraw/zinc/29/92/37/780299237.db2.gz JCWKZZPLBWEZJE-MRVPVSSYSA-N 2 2 268.325 -2.434 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1cc[nH]n1 ZINC001220061652 780299555 /nfs/dbraw/zinc/29/95/55/780299555.db2.gz BHERRCWPGPBRHX-GFCCVEGCSA-N 2 2 280.376 -1.181 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220065777 780299631 /nfs/dbraw/zinc/29/96/31/780299631.db2.gz JAXDDGXEPRUEMU-ZETCQYMHSA-N 2 2 267.289 -1.102 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nn[nH]n1 ZINC001220073586 780299806 /nfs/dbraw/zinc/29/98/06/780299806.db2.gz JCWKZZPLBWEZJE-QMMMGPOBSA-N 2 2 268.325 -2.434 20 0 CAADLP Cc1ncc(CO)c(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1O ZINC001220092794 780301136 /nfs/dbraw/zinc/30/11/36/780301136.db2.gz DTTSUWDQDXZITM-KOLCDFICSA-N 2 2 280.328 -1.107 20 0 CAADLP C[NH2+]CCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220079365 780301567 /nfs/dbraw/zinc/30/15/67/780301567.db2.gz INNLKKHCGZXTFQ-GFCCVEGCSA-N 3 2 271.409 -1.147 20 0 CAADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)SCC[NH3+] ZINC001220106044 780303726 /nfs/dbraw/zinc/30/37/26/780303726.db2.gz ABEZCMFLYUYXCK-GMSGAONNSA-N 3 2 257.363 -1.319 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106091 780304448 /nfs/dbraw/zinc/30/44/48/780304448.db2.gz YSBOKWGAHUSWGB-UTUOFQBUSA-N 2 2 282.344 -1.185 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106091 780304455 /nfs/dbraw/zinc/30/44/55/780304455.db2.gz YSBOKWGAHUSWGB-UTUOFQBUSA-N 2 2 282.344 -1.185 20 0 CAADLP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)SCC[NH3+] ZINC001220106046 780304611 /nfs/dbraw/zinc/30/46/11/780304611.db2.gz ABEZCMFLYUYXCK-XCBNKYQSSA-N 3 2 257.363 -1.319 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220110224 780304699 /nfs/dbraw/zinc/30/46/99/780304699.db2.gz YWAZZZPCRUIQAK-LPEHRKFASA-N 2 2 257.334 -1.814 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220109589 780305904 /nfs/dbraw/zinc/30/59/04/780305904.db2.gz FEMYWPDCGSRMLQ-CABZTGNLSA-N 2 2 257.334 -1.813 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220110059 780306080 /nfs/dbraw/zinc/30/60/80/780306080.db2.gz QAQKOLQXMCCUCD-VIFPVBQESA-N 2 2 256.306 -1.471 20 0 CAADLP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220140916 780309234 /nfs/dbraw/zinc/30/92/34/780309234.db2.gz DEPUFMVTKYCAGY-BGZDPUMWSA-N 2 2 261.347 -1.633 20 0 CAADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220141722 780309447 /nfs/dbraw/zinc/30/94/47/780309447.db2.gz TUUCVNPOHIVJED-RNWYCLNJSA-N 2 2 269.345 -1.144 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220145592 780310552 /nfs/dbraw/zinc/31/05/52/780310552.db2.gz HUEQEXKOOWHQAX-VIFPVBQESA-N 2 2 287.345 -1.961 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220145591 780310603 /nfs/dbraw/zinc/31/06/03/780310603.db2.gz HUEQEXKOOWHQAX-SECBINFHSA-N 2 2 287.345 -1.961 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CS(=O)(=O)C3)C1 ZINC001220143533 780311451 /nfs/dbraw/zinc/31/14/51/780311451.db2.gz LUIRVGWPERBPOM-APPZFPTMSA-N 2 2 273.358 -1.631 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220145835 780312225 /nfs/dbraw/zinc/31/22/25/780312225.db2.gz SBWHWWYKUHZROT-UHFFFAOYSA-N 2 2 276.362 -2.173 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151871 780312266 /nfs/dbraw/zinc/31/22/66/780312266.db2.gz KTPYDURNQOEUQC-JTQLQIEISA-N 2 2 268.317 -1.471 20 0 CAADLP O=C(NC1CC(CO)(CO)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220152220 780312568 /nfs/dbraw/zinc/31/25/68/780312568.db2.gz ZBZNQJTVOSZWTL-TVQRCGJNSA-N 2 2 269.345 -1.813 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151872 780312811 /nfs/dbraw/zinc/31/28/11/780312811.db2.gz KTPYDURNQOEUQC-SNVBAGLBSA-N 2 2 268.317 -1.471 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170362 780313781 /nfs/dbraw/zinc/31/37/81/780313781.db2.gz ISRBNVUJJQNBDS-QWRGUYRKSA-N 2 2 296.327 -1.072 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170361 780314702 /nfs/dbraw/zinc/31/47/02/780314702.db2.gz ISRBNVUJJQNBDS-MNOVXSKESA-N 2 2 296.327 -1.072 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CCO)COC1 ZINC001220174098 780315467 /nfs/dbraw/zinc/31/54/67/780315467.db2.gz VSVTTZQWNYJGNK-VIFPVBQESA-N 2 2 254.290 -1.453 20 0 CAADLP O=C(N[C@@H]1COCCC12OCCO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220173726 780315564 /nfs/dbraw/zinc/31/55/64/780315564.db2.gz RLKLMLAFPFITSJ-LOWVWBTDSA-N 2 2 297.355 -1.414 20 0 CAADLP O=C(N[C@@H]1COCCC12OCCO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220173727 780315861 /nfs/dbraw/zinc/31/58/61/780315861.db2.gz RLKLMLAFPFITSJ-NQBHXWOUSA-N 2 2 297.355 -1.414 20 0 CAADLP O=C(N[C@H]1COCCC12OCCO2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220173625 780315873 /nfs/dbraw/zinc/31/58/73/780315873.db2.gz QLSKVTKKCDGSAP-YFKTTZPYSA-N 2 2 297.355 -1.416 20 0 CAADLP O=C(NC1(CCO)COC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220172877 780316189 /nfs/dbraw/zinc/31/61/89/780316189.db2.gz DBWPKOFAEUYLID-JOYOIKCWSA-N 2 2 255.318 -1.795 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2COCCC23OCCO3)C1 ZINC001220173145 780316234 /nfs/dbraw/zinc/31/62/34/780316234.db2.gz JQCFOWRKJRVNCI-UTLUCORTSA-N 2 2 271.317 -1.676 20 0 CAADLP Cn1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1=O ZINC001220179585 780316889 /nfs/dbraw/zinc/31/68/89/780316889.db2.gz OAOOAHMUIUEIHQ-FZMZJTMJSA-N 2 2 276.340 -1.047 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001220183129 780317165 /nfs/dbraw/zinc/31/71/65/780317165.db2.gz FTECCCSBXZOARI-OQPBUACISA-N 2 2 290.327 -1.122 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001220183128 780317232 /nfs/dbraw/zinc/31/72/32/780317232.db2.gz FTECCCSBXZOARI-ISVAXAHUSA-N 2 2 290.327 -1.122 20 0 CAADLP Cn1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1=O ZINC001220179587 780317238 /nfs/dbraw/zinc/31/72/38/780317238.db2.gz OAOOAHMUIUEIHQ-RISCZKNCSA-N 2 2 276.340 -1.047 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001220183127 780317324 /nfs/dbraw/zinc/31/73/24/780317324.db2.gz FTECCCSBXZOARI-AMIZOPFISA-N 2 2 290.327 -1.122 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181429 780317661 /nfs/dbraw/zinc/31/76/61/780317661.db2.gz OLMRXGKMNGMBML-UTLUCORTSA-N 2 2 254.290 -1.455 20 0 CAADLP Cn1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1=O ZINC001220179644 780317828 /nfs/dbraw/zinc/31/78/28/780317828.db2.gz PMTDHUDZCFSNRW-UWVGGRQHSA-N 2 2 250.302 -1.452 20 0 CAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]CCN1 ZINC001220189389 780318261 /nfs/dbraw/zinc/31/82/61/780318261.db2.gz PYWWUTATVXYWPB-IUCAKERBSA-N 2 2 262.304 -1.091 20 0 CAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]CCN1 ZINC001220186432 780318554 /nfs/dbraw/zinc/31/85/54/780318554.db2.gz PYWWUTATVXYWPB-DTWKUNHWSA-N 2 2 262.304 -1.091 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001220183828 780319155 /nfs/dbraw/zinc/31/91/55/780319155.db2.gz ZOVGMUYKALQZMS-XHNCKOQMSA-N 2 2 290.327 -1.123 20 0 CAADLP [NH3+]CCNCC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197468 780319315 /nfs/dbraw/zinc/31/93/15/780319315.db2.gz FJCOIBNOGXKOEW-UHFFFAOYSA-N 2 2 256.350 -1.484 20 0 CAADLP N[C@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CC[NH2+]C1 ZINC001220197757 780319363 /nfs/dbraw/zinc/31/93/63/780319363.db2.gz QXDJJDUMPGJXRB-CYBMUJFWSA-N 2 2 268.361 -1.342 20 0 CAADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189523 780319373 /nfs/dbraw/zinc/31/93/73/780319373.db2.gz RGKJWGWNASFEGP-CIUDSAMLSA-N 2 2 262.304 -1.106 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220202666 780319801 /nfs/dbraw/zinc/31/98/01/780319801.db2.gz HOQCBEOQNJGOBT-AATLWQCWSA-N 2 2 252.318 -1.811 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202768 780320216 /nfs/dbraw/zinc/32/02/16/780320216.db2.gz JZDWIPMCMPFZBP-IONNQARKSA-N 2 2 251.290 -1.468 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220202814 780320447 /nfs/dbraw/zinc/32/04/47/780320447.db2.gz KYWBWLSGKSBSGT-HOTUBEGUSA-N 2 2 252.318 -1.810 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)COC1 ZINC001220215376 780321915 /nfs/dbraw/zinc/32/19/15/780321915.db2.gz UJSWGFJZGLRIIV-HZMBPMFUSA-N 2 2 297.355 -1.224 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234021 780323209 /nfs/dbraw/zinc/32/32/09/780323209.db2.gz QQENFWPTCZIHTI-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234021 780323216 /nfs/dbraw/zinc/32/32/16/780323216.db2.gz QQENFWPTCZIHTI-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CN1C[C@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)CC1=O ZINC001220245003 780324655 /nfs/dbraw/zinc/32/46/55/780324655.db2.gz CICMFKWLPUZEDQ-CMPLNLGQSA-N 2 2 297.403 -1.669 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC001220245534 780324757 /nfs/dbraw/zinc/32/47/57/780324757.db2.gz RTXFMVRQBNABNI-ONGXEEELSA-N 2 2 279.344 -1.116 20 0 CAADLP CN1C[C@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)CC1=O ZINC001220245004 780325214 /nfs/dbraw/zinc/32/52/14/780325214.db2.gz CICMFKWLPUZEDQ-JQWIXIFHSA-N 2 2 297.403 -1.669 20 0 CAADLP CN1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1=O ZINC001220245075 780325363 /nfs/dbraw/zinc/32/53/63/780325363.db2.gz FKTNHRIHEDMQFP-SCZZXKLOSA-N 2 2 265.317 -1.126 20 0 CAADLP CN1C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1=O ZINC001220245037 780325501 /nfs/dbraw/zinc/32/55/01/780325501.db2.gz DFUIZBWAKAFWPV-WTBMIXGQSA-N 2 2 266.345 -1.197 20 0 CAADLP CN1C[C@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1=O ZINC001220245076 780325545 /nfs/dbraw/zinc/32/55/45/780325545.db2.gz FKTNHRIHEDMQFP-WCBMZHEXSA-N 2 2 265.317 -1.126 20 0 CAADLP CN1C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1=O ZINC001220245099 780325684 /nfs/dbraw/zinc/32/56/84/780325684.db2.gz FXRZSSRTVHRMKX-VPOLOUISSA-N 2 2 266.345 -1.469 20 0 CAADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251930 780326535 /nfs/dbraw/zinc/32/65/35/780326535.db2.gz JULLFOLHMPIZSS-ZETCQYMHSA-N 2 2 256.310 -1.157 20 0 CAADLP O=C(NCc1n[nH]c(=O)[nH]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220252226 780327111 /nfs/dbraw/zinc/32/71/11/780327111.db2.gz RTLIYXXSIYDKLE-RDDDGLTNSA-N 2 2 266.305 -1.674 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnc[nH]1 ZINC001220249823 780327127 /nfs/dbraw/zinc/32/71/27/780327127.db2.gz CQKVHKKWGDHVST-VIFPVBQESA-N 2 2 267.337 -1.829 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220268498 780328229 /nfs/dbraw/zinc/32/82/29/780328229.db2.gz LFYKNOCPBIZJIH-KOLCDFICSA-N 2 2 290.389 -2.055 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220272157 780328457 /nfs/dbraw/zinc/32/84/57/780328457.db2.gz RLEWAKYWKVDIAN-NEPJUHHUSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001220272157 780328460 /nfs/dbraw/zinc/32/84/60/780328460.db2.gz RLEWAKYWKVDIAN-NEPJUHHUSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220275041 780329412 /nfs/dbraw/zinc/32/94/12/780329412.db2.gz MVJYYEGLBQMYIJ-VWYCJHECSA-N 2 2 284.360 -2.012 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220275041 780329417 /nfs/dbraw/zinc/32/94/17/780329417.db2.gz MVJYYEGLBQMYIJ-VWYCJHECSA-N 2 2 284.360 -2.012 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220274496 780329825 /nfs/dbraw/zinc/32/98/25/780329825.db2.gz FIOLMDGUJPDSEC-GHMZBOCLSA-N 2 2 268.317 -1.132 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220274786 780329875 /nfs/dbraw/zinc/32/98/75/780329875.db2.gz PONFGUGNNXGGEV-NSHDSACASA-N 2 2 267.333 -1.293 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220272229 780330070 /nfs/dbraw/zinc/33/00/70/780330070.db2.gz VZJFMLPSDHNKJW-NEPJUHHUSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001220272229 780330077 /nfs/dbraw/zinc/33/00/77/780330077.db2.gz VZJFMLPSDHNKJW-NEPJUHHUSA-N 2 2 298.387 -1.622 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220274573 780330099 /nfs/dbraw/zinc/33/00/99/780330099.db2.gz JBDAPJBNDHNEGT-GFCCVEGCSA-N 2 2 267.333 -1.164 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220274443 780330188 /nfs/dbraw/zinc/33/01/88/780330188.db2.gz CIKBDAPJBYVQTA-QWRGUYRKSA-N 2 2 268.317 -1.274 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273485 780330221 /nfs/dbraw/zinc/33/02/21/780330221.db2.gz MGRMWKGOXUECGJ-AEJSXWLSSA-N 2 2 272.349 -2.027 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273485 780330224 /nfs/dbraw/zinc/33/02/24/780330224.db2.gz MGRMWKGOXUECGJ-AEJSXWLSSA-N 2 2 272.349 -2.027 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)C[C@H](O)C[NH3+] ZINC001220275441 780330750 /nfs/dbraw/zinc/33/07/50/780330750.db2.gz YNROYCXOAPAVAX-JTQLQIEISA-N 2 2 256.306 -1.145 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220290879 780331334 /nfs/dbraw/zinc/33/13/34/780331334.db2.gz GYWFFPWTKGFJGF-ZNSHCXBVSA-N 2 2 250.302 -1.105 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220290879 780331338 /nfs/dbraw/zinc/33/13/38/780331338.db2.gz GYWFFPWTKGFJGF-ZNSHCXBVSA-N 2 2 250.302 -1.105 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220303738 780331475 /nfs/dbraw/zinc/33/14/75/780331475.db2.gz BCGXQTPVFVVIFX-MELADBBJSA-N 3 2 295.431 -1.310 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220303738 780331479 /nfs/dbraw/zinc/33/14/79/780331479.db2.gz BCGXQTPVFVVIFX-MELADBBJSA-N 3 2 295.431 -1.310 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220291183 780331552 /nfs/dbraw/zinc/33/15/52/780331552.db2.gz NWBAQQHUAHTMSJ-UTLUCORTSA-N 2 2 254.290 -1.990 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220291183 780331560 /nfs/dbraw/zinc/33/15/60/780331560.db2.gz NWBAQQHUAHTMSJ-UTLUCORTSA-N 2 2 254.290 -1.990 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1OCCO1 ZINC001220288892 780331975 /nfs/dbraw/zinc/33/19/75/780331975.db2.gz MBBFGMXRVWGTAS-VIFPVBQESA-N 2 2 254.290 -1.221 20 0 CAADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290980 780332039 /nfs/dbraw/zinc/33/20/39/780332039.db2.gz JCZNSVZBPKCBKN-NXEZZACHSA-N 3 2 255.322 -1.505 20 0 CAADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290980 780332041 /nfs/dbraw/zinc/33/20/41/780332041.db2.gz JCZNSVZBPKCBKN-NXEZZACHSA-N 3 2 255.322 -1.505 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220291182 780332059 /nfs/dbraw/zinc/33/20/59/780332059.db2.gz NWBAQQHUAHTMSJ-OPRDCNLKSA-N 2 2 254.290 -1.990 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220291182 780332063 /nfs/dbraw/zinc/33/20/63/780332063.db2.gz NWBAQQHUAHTMSJ-OPRDCNLKSA-N 2 2 254.290 -1.990 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220307086 780333437 /nfs/dbraw/zinc/33/34/37/780333437.db2.gz RMKJUMXVQXIBJT-UHFFFAOYSA-N 3 2 283.420 -1.179 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220307086 780333441 /nfs/dbraw/zinc/33/34/41/780333441.db2.gz RMKJUMXVQXIBJT-UHFFFAOYSA-N 3 2 283.420 -1.179 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220304197 780333517 /nfs/dbraw/zinc/33/35/17/780333517.db2.gz TZRMLODVIODPHT-HIFRSBDPSA-N 3 2 295.431 -1.308 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220304197 780333521 /nfs/dbraw/zinc/33/35/21/780333521.db2.gz TZRMLODVIODPHT-HIFRSBDPSA-N 3 2 295.431 -1.308 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)CO1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220315110 780333763 /nfs/dbraw/zinc/33/37/63/780333763.db2.gz ABBDBLYHXNNHPP-HOTUBEGUSA-N 2 2 268.317 -2.431 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001220304125 780333875 /nfs/dbraw/zinc/33/38/75/780333875.db2.gz QOTJJFGVUSNXCF-NFAWXSAZSA-N 3 2 295.431 -1.038 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001220304125 780333885 /nfs/dbraw/zinc/33/38/85/780333885.db2.gz QOTJJFGVUSNXCF-NFAWXSAZSA-N 3 2 295.431 -1.038 20 0 CAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CNC(=O)CO2)cc1 ZINC001220315899 780334637 /nfs/dbraw/zinc/33/46/37/780334637.db2.gz KCMIHOZZQIIWJP-VXGBXAGGSA-N 2 2 292.339 -1.110 20 0 CAADLP O=C(NC[C@H]1CNC(=O)CO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220316278 780334702 /nfs/dbraw/zinc/33/47/02/780334702.db2.gz NVVZYNBYOOVNHN-QCLAVDOMSA-N 2 2 268.317 -2.433 20 0 CAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CNC(=O)CO2)cc1 ZINC001220315898 780334751 /nfs/dbraw/zinc/33/47/51/780334751.db2.gz KCMIHOZZQIIWJP-RYUDHWBXSA-N 2 2 292.339 -1.110 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316455 780335110 /nfs/dbraw/zinc/33/51/10/780335110.db2.gz PLTQWQUSKUTPFC-DTWKUNHWSA-N 2 2 267.289 -2.089 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316071 780335290 /nfs/dbraw/zinc/33/52/90/780335290.db2.gz LWRYNORIZZDAOL-PTRXPTGYSA-N 2 2 295.347 -1.903 20 0 CAADLP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220315608 780335509 /nfs/dbraw/zinc/33/55/09/780335509.db2.gz FYTOYXSYZJYUEK-GGAZOKNXSA-N 3 2 294.399 -1.036 20 0 CAADLP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220315607 780335586 /nfs/dbraw/zinc/33/55/86/780335586.db2.gz FYTOYXSYZJYUEK-BAYHKCFCSA-N 3 2 294.399 -1.036 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316456 780335615 /nfs/dbraw/zinc/33/56/15/780335615.db2.gz PLTQWQUSKUTPFC-IUCAKERBSA-N 2 2 267.289 -2.089 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317072 780336637 /nfs/dbraw/zinc/33/66/37/780336637.db2.gz VJKGHAOKZSMMDU-GBIKHYSHSA-N 2 2 285.344 -1.096 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320777 780336664 /nfs/dbraw/zinc/33/66/64/780336664.db2.gz PHGARHDRAUHMOF-SRRSOLGSSA-N 3 2 268.361 -1.297 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317074 780336707 /nfs/dbraw/zinc/33/67/07/780336707.db2.gz VJKGHAOKZSMMDU-NRUUGDAUSA-N 2 2 285.344 -1.096 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317075 780336730 /nfs/dbraw/zinc/33/67/30/780336730.db2.gz VJKGHAOKZSMMDU-OUJBWJOFSA-N 2 2 285.344 -1.096 20 0 CAADLP NC(=O)[C@H](CO)NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220328878 780337527 /nfs/dbraw/zinc/33/75/27/780337527.db2.gz DQAIHFAKSFXHFL-BDAKNGLRSA-N 2 2 273.337 -3.301 20 0 CAADLP COc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nn1 ZINC001220343308 780339284 /nfs/dbraw/zinc/33/92/84/780339284.db2.gz IUGBXNUHTPAAHI-APPZFPTMSA-N 2 2 251.290 -1.209 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC1COC1 ZINC001220340399 780339527 /nfs/dbraw/zinc/33/95/27/780339527.db2.gz CFAROSAEKYGAKB-GFCCVEGCSA-N 2 2 270.377 -1.111 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220381122 780342689 /nfs/dbraw/zinc/34/26/89/780342689.db2.gz GXVAEMGEFQIXDW-GMXVVIOVSA-N 2 2 268.361 -1.615 20 0 CAADLP CN1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220380587 780342704 /nfs/dbraw/zinc/34/27/04/780342704.db2.gz AHQAMUBJGLLEEW-WHOHXGKFSA-N 2 2 268.361 -1.617 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220382424 780343532 /nfs/dbraw/zinc/34/35/32/780343532.db2.gz WXCQVVFOZXUOEB-JTQLQIEISA-N 2 2 256.350 -1.486 20 0 CAADLP CN1CCOC[C@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220382426 780343651 /nfs/dbraw/zinc/34/36/51/780343651.db2.gz WXCQVVFOZXUOEB-SNVBAGLBSA-N 2 2 256.350 -1.486 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220394995 780344236 /nfs/dbraw/zinc/34/42/36/780344236.db2.gz QVCNJWPFUJWARR-SKDRFNHKSA-N 2 2 252.318 -1.644 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394620 780344508 /nfs/dbraw/zinc/34/45/08/780344508.db2.gz JWGZGJDGXDQNHV-VIFPVBQESA-N 2 2 279.348 -1.328 20 0 CAADLP CO[C@@H](C)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220393093 780345073 /nfs/dbraw/zinc/34/50/73/780345073.db2.gz QJGRZQJDOMRWSC-GXSJLCMTSA-N 2 2 258.366 -1.112 20 0 CAADLP CNOCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220403234 780345373 /nfs/dbraw/zinc/34/53/73/780345373.db2.gz KVNRGVAOOACAOW-SNVBAGLBSA-N 2 2 259.354 -1.996 20 0 CAADLP CNC(=O)[C@H](C)NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220418206 780346067 /nfs/dbraw/zinc/34/60/67/780346067.db2.gz HMPDYYYJVDKMFG-WCBMZHEXSA-N 2 2 271.365 -2.013 20 0 CAADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001220405901 780346505 /nfs/dbraw/zinc/34/65/05/780346505.db2.gz GLGHLVRYEGZEPE-JXUBOQSCSA-N 2 2 255.318 -1.009 20 0 CAADLP Cn1c(=O)cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[nH]c1=O ZINC001220422615 780346821 /nfs/dbraw/zinc/34/68/21/780346821.db2.gz HCDXPESTFIKQES-SSDOTTSWSA-N 2 2 278.272 -1.283 20 0 CAADLP CNC(=O)[C@H](C)NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220418209 780347205 /nfs/dbraw/zinc/34/72/05/780347205.db2.gz HMPDYYYJVDKMFG-WPRPVWTQSA-N 2 2 271.365 -2.013 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429027 780348100 /nfs/dbraw/zinc/34/81/00/780348100.db2.gz JROARFHZGOHAIM-KOLCDFICSA-N 3 2 267.333 -1.606 20 0 CAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220429315 780348844 /nfs/dbraw/zinc/34/88/44/780348844.db2.gz PEMOLNMVHRWLCE-ZRUFSTJUSA-N 3 2 254.334 -1.959 20 0 CAADLP O=C(N[C@H](CO)C(F)(F)F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220448115 780349832 /nfs/dbraw/zinc/34/98/32/780349832.db2.gz XONOLMKZLHEDSZ-OOZYFLPDSA-N 2 2 267.251 -1.023 20 0 CAADLP O=C(N[C@H](CO)C(F)(F)F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220448113 780350225 /nfs/dbraw/zinc/35/02/25/780350225.db2.gz XONOLMKZLHEDSZ-BHNWBGBOSA-N 2 2 267.251 -1.023 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220479326 780351642 /nfs/dbraw/zinc/35/16/42/780351642.db2.gz HONJGKSYMSGMMZ-MMWGEVLESA-N 2 2 299.371 -1.245 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220479568 780352144 /nfs/dbraw/zinc/35/21/44/780352144.db2.gz PMWYBXIGZKXISL-VGMNWLOBSA-N 2 2 273.333 -1.506 20 0 CAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])O1 ZINC001220482077 780352856 /nfs/dbraw/zinc/35/28/56/780352856.db2.gz ZYVADGLHNINEEL-ONYIWYLUSA-N 3 2 286.376 -1.626 20 0 CAADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220492637 780354182 /nfs/dbraw/zinc/35/41/82/780354182.db2.gz OVSPFCPPJQPXDB-IUCAKERBSA-N 2 2 253.306 -1.371 20 0 CAADLP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ccccc1 ZINC001220501976 780355468 /nfs/dbraw/zinc/35/54/68/780355468.db2.gz WVAJMJPUIKADCL-UWVGGRQHSA-N 2 2 275.316 -1.114 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494060 780355581 /nfs/dbraw/zinc/35/55/81/780355581.db2.gz COEJFFIUKRBSRX-ZETCQYMHSA-N 2 2 253.310 -1.543 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220515958 780356375 /nfs/dbraw/zinc/35/63/75/780356375.db2.gz MSNOYWSZQNOVRR-ZYHUDNBSSA-N 3 2 255.366 -2.055 20 0 CAADLP COC(=O)c1ncc(=O)[nH]c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220514426 780357528 /nfs/dbraw/zinc/35/75/28/780357528.db2.gz KYBLOLHEWOKLDT-UHFFFAOYSA-N 2 2 295.299 -1.012 20 0 CAADLP COC(C)(CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)OC ZINC001220508936 780357553 /nfs/dbraw/zinc/35/75/53/780357553.db2.gz DHTUBSGZIAZSQS-LLVKDONJSA-N 2 2 288.392 -1.138 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220515601 780357961 /nfs/dbraw/zinc/35/79/61/780357961.db2.gz HGJTXNZSBZCEJG-ZETCQYMHSA-N 2 2 256.314 -2.924 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001220519187 780358448 /nfs/dbraw/zinc/35/84/48/780358448.db2.gz FRGNEPCLOXLIHO-UWVGGRQHSA-N 3 2 260.338 -2.216 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220519227 780358519 /nfs/dbraw/zinc/35/85/19/780358519.db2.gz HDCACHJBLIDBDV-DGCLKSJQSA-N 3 2 286.376 -1.954 20 0 CAADLP CCOC(=O)C1=C(NC(=O)C2([NH3+])CC[NH2+]CC2)CC[NH2+]C1 ZINC001220523479 780359323 /nfs/dbraw/zinc/35/93/23/780359323.db2.gz OYILLZCTFCVGGY-UHFFFAOYSA-N 3 2 296.371 -1.006 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCOCCOCC[NH3+] ZINC001220519616 780359610 /nfs/dbraw/zinc/35/96/10/780359610.db2.gz UZMIGFAQWHLIRC-VIFPVBQESA-N 2 2 277.321 -2.015 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220519405 780359872 /nfs/dbraw/zinc/35/98/72/780359872.db2.gz NADCXCJQQYZYNC-SDDRHHMPSA-N 3 2 286.376 -1.956 20 0 CAADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570977 780362454 /nfs/dbraw/zinc/36/24/54/780362454.db2.gz FPYKZZTVBGGVDX-SNVBAGLBSA-N 3 2 256.350 -1.499 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220571262 780362584 /nfs/dbraw/zinc/36/25/84/780362584.db2.gz NAQNYNYKAOEBIY-FZMZJTMJSA-N 2 2 280.372 -1.614 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220553680 780362966 /nfs/dbraw/zinc/36/29/66/780362966.db2.gz PCWVKDYQUCIDCU-NEPJUHHUSA-N 2 2 287.360 -2.138 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220553680 780362977 /nfs/dbraw/zinc/36/29/77/780362977.db2.gz PCWVKDYQUCIDCU-NEPJUHHUSA-N 2 2 287.360 -2.138 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220571606 780363099 /nfs/dbraw/zinc/36/30/99/780363099.db2.gz VHBWXBLRADSVLK-LLVKDONJSA-N 3 2 280.372 -1.756 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571107 780363873 /nfs/dbraw/zinc/36/38/73/780363873.db2.gz IZGGFFJKQWVLMV-JTQLQIEISA-N 2 2 271.317 -1.675 20 0 CAADLP N[C@@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CCC[NH2+]C1 ZINC001220571080 780363942 /nfs/dbraw/zinc/36/39/42/780363942.db2.gz ICYQFKKQCMADFX-ZDUSSCGKSA-N 2 2 268.361 -1.484 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220571113 780364256 /nfs/dbraw/zinc/36/42/56/780364256.db2.gz JCCRUBQENBHMSR-IUODEOHRSA-N 3 2 294.399 -1.366 20 0 CAADLP COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220576204 780365390 /nfs/dbraw/zinc/36/53/90/780365390.db2.gz VILXKVXMTUIQQC-VIFPVBQESA-N 2 2 297.315 -2.305 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220582788 780367162 /nfs/dbraw/zinc/36/71/62/780367162.db2.gz DTCACTUZLACGCK-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220582788 780367169 /nfs/dbraw/zinc/36/71/69/780367169.db2.gz DTCACTUZLACGCK-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220585614 780367551 /nfs/dbraw/zinc/36/75/51/780367551.db2.gz REEQDAYGGOKSFH-IUCAKERBSA-N 3 2 258.322 -2.117 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220583468 780367587 /nfs/dbraw/zinc/36/75/87/780367587.db2.gz MCLWQFSGSCMBSM-UHFFFAOYSA-N 3 2 272.349 -1.582 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220583072 780367773 /nfs/dbraw/zinc/36/77/73/780367773.db2.gz CPMNFOCFYXTAGI-ZWNOBZJWSA-N 3 2 284.360 -1.712 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220583069 780367990 /nfs/dbraw/zinc/36/79/90/780367990.db2.gz CPMNFOCFYXTAGI-GWCFXTLKSA-N 3 2 284.360 -1.712 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220578520 780368058 /nfs/dbraw/zinc/36/80/58/780368058.db2.gz FZGCQQASOIEVIE-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220578520 780368066 /nfs/dbraw/zinc/36/80/66/780368066.db2.gz FZGCQQASOIEVIE-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(F)(F)F ZINC001220587745 780368159 /nfs/dbraw/zinc/36/81/59/780368159.db2.gz IHOGTHUSHISBOP-ZLUOBGJFSA-N 2 2 269.223 -1.247 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220583070 780368271 /nfs/dbraw/zinc/36/82/71/780368271.db2.gz CPMNFOCFYXTAGI-GXFFZTMASA-N 3 2 284.360 -1.712 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(F)(F)F ZINC001220587537 780368704 /nfs/dbraw/zinc/36/87/04/780368704.db2.gz DXAXKUMSTIXKTP-NGJCXOISSA-N 2 2 269.223 -1.104 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220596635 780370037 /nfs/dbraw/zinc/37/00/37/780370037.db2.gz CCEKBUIVXCQZBZ-JTQLQIEISA-N 2 2 251.290 -1.374 20 0 CAADLP CN1CCC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1=O ZINC001220590287 780370141 /nfs/dbraw/zinc/37/01/41/780370141.db2.gz KIYUMZFKOSULBV-DNJQJEMRSA-N 2 2 266.345 -1.055 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220596727 780370310 /nfs/dbraw/zinc/37/03/10/780370310.db2.gz GTHHVXBSOQOIRE-SKDRFNHKSA-N 2 2 252.318 -1.715 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220596725 780370692 /nfs/dbraw/zinc/37/06/92/780370692.db2.gz GTHHVXBSOQOIRE-CABZTGNLSA-N 2 2 252.318 -1.715 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678577 780374070 /nfs/dbraw/zinc/37/40/70/780374070.db2.gz FBXCCIYHQODGRW-JLIMGVALSA-N 2 2 279.348 -1.141 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220683376 780374647 /nfs/dbraw/zinc/37/46/47/780374647.db2.gz PCDFUQDBIFRCRH-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220683376 780374650 /nfs/dbraw/zinc/37/46/50/780374650.db2.gz PCDFUQDBIFRCRH-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220683376 780374654 /nfs/dbraw/zinc/37/46/54/780374654.db2.gz PCDFUQDBIFRCRH-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220683376 780374658 /nfs/dbraw/zinc/37/46/58/780374658.db2.gz PCDFUQDBIFRCRH-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220725275 780376284 /nfs/dbraw/zinc/37/62/84/780376284.db2.gz PPYODLIQPGKKLC-BZPMIXESSA-N 2 2 282.388 -1.225 20 0 CAADLP C[C@H]1COCCN1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220724397 780376373 /nfs/dbraw/zinc/37/63/73/780376373.db2.gz GDKHFCZEJHHRNA-NSHDSACASA-N 2 2 270.377 -1.096 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220756496 780377899 /nfs/dbraw/zinc/37/78/99/780377899.db2.gz FEWYJRNBWDGUBA-NDMJEZRESA-N 2 2 268.361 -1.174 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220756979 780377926 /nfs/dbraw/zinc/37/79/26/780377926.db2.gz PJIXMYBVIBSCIU-GXFFZTMASA-N 2 2 299.419 -1.375 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220756497 780378625 /nfs/dbraw/zinc/37/86/25/780378625.db2.gz FEWYJRNBWDGUBA-UFGOTCBOSA-N 2 2 268.361 -1.174 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220756498 780379023 /nfs/dbraw/zinc/37/90/23/780379023.db2.gz FEWYJRNBWDGUBA-XHVZSJERSA-N 2 2 268.361 -1.174 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C[C@@H](O)C[NH3+] ZINC001220768921 780379773 /nfs/dbraw/zinc/37/97/73/780379773.db2.gz FDZAAFHDYXSCKE-NXEZZACHSA-N 2 2 284.316 -1.670 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220769165 780379803 /nfs/dbraw/zinc/37/98/03/780379803.db2.gz JLTNYUOYFTZXTA-DCAQKATOSA-N 2 2 296.327 -1.657 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220772614 780379831 /nfs/dbraw/zinc/37/98/31/780379831.db2.gz QIQOUBBZKWYDKK-GARJFASQSA-N 2 2 295.343 -1.833 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1COC[NH2+]1 ZINC001220768749 780380161 /nfs/dbraw/zinc/38/01/61/780380161.db2.gz ANFCQMUWTXGCTE-UWVGGRQHSA-N 2 2 282.300 -1.434 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CC[NH2+]1 ZINC001220770695 780380175 /nfs/dbraw/zinc/38/01/75/780380175.db2.gz ZRVSPWWIUKDMKG-VHSXEESVSA-N 2 2 266.301 -1.018 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C[C@H](O)C[NH3+] ZINC001220768923 780380196 /nfs/dbraw/zinc/38/01/96/780380196.db2.gz FDZAAFHDYXSCKE-VHSXEESVSA-N 2 2 284.316 -1.670 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220768760 780380538 /nfs/dbraw/zinc/38/05/38/780380538.db2.gz ANZGZRDNECTVIG-WDEREUQCSA-N 3 2 297.359 -1.313 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220772613 780380565 /nfs/dbraw/zinc/38/05/65/780380565.db2.gz QIQOUBBZKWYDKK-DCAQKATOSA-N 2 2 295.343 -1.833 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[NH2+]C1 ZINC001220825641 780381815 /nfs/dbraw/zinc/38/18/15/780381815.db2.gz PIHMMUNDCBAHHG-SNVBAGLBSA-N 3 2 293.327 -1.184 20 0 CAADLP CCOC(=O)C1=C(NC(=O)CN2CC[NH2+]CC2=O)C[NH2+]C1 ZINC001220826974 780382103 /nfs/dbraw/zinc/38/21/03/780382103.db2.gz DQOLJDDLTPHKPF-UHFFFAOYSA-N 2 2 296.327 -2.045 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[NH2+]C1 ZINC001220825587 780382735 /nfs/dbraw/zinc/38/27/35/780382735.db2.gz NLUISTYRAIKYHA-ZETCQYMHSA-N 2 2 295.303 -2.394 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220822464 780383560 /nfs/dbraw/zinc/38/35/60/780383560.db2.gz ZMVXTJWGHAPYTA-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220822464 780383572 /nfs/dbraw/zinc/38/35/72/780383572.db2.gz ZMVXTJWGHAPYTA-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220822464 780383593 /nfs/dbraw/zinc/38/35/93/780383593.db2.gz ZMVXTJWGHAPYTA-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)C[NH2+]C1 ZINC001220829913 780384038 /nfs/dbraw/zinc/38/40/38/780384038.db2.gz FSESFNQHUUSHIB-CBAPKCEASA-N 3 2 268.317 -1.788 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[NH2+]C1 ZINC001220828070 780384717 /nfs/dbraw/zinc/38/47/17/780384717.db2.gz FSESFNQHUUSHIB-APPZFPTMSA-N 3 2 268.317 -1.788 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[NH2+]C1 ZINC001220851019 780386638 /nfs/dbraw/zinc/38/66/38/780386638.db2.gz DGFZONYJFZSONZ-RNCFNFMXSA-N 3 2 282.344 -2.041 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[NH2+]C1 ZINC001220851227 780388193 /nfs/dbraw/zinc/38/81/93/780388193.db2.gz MYPODWDPVOQEGT-LNLATYFQSA-N 2 2 282.344 -1.771 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878795 780391306 /nfs/dbraw/zinc/39/13/06/780391306.db2.gz RDIAPSFDPVTYEW-UWVGGRQHSA-N 2 2 296.327 -2.409 20 0 CAADLP COC(=O)[C@H]1C[C@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220881116 780392281 /nfs/dbraw/zinc/39/22/81/780392281.db2.gz CSGLYXMNBWWFFG-IUCAKERBSA-N 2 2 255.318 -1.007 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220881117 780392906 /nfs/dbraw/zinc/39/29/06/780392906.db2.gz CSGLYXMNBWWFFG-RKDXNWHRSA-N 2 2 255.318 -1.007 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220888205 780392738 /nfs/dbraw/zinc/39/27/38/780392738.db2.gz GAUOOECVNNLXCW-NEPJUHHUSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220888205 780392743 /nfs/dbraw/zinc/39/27/43/780392743.db2.gz GAUOOECVNNLXCW-NEPJUHHUSA-N 2 2 282.344 -1.494 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220882013 780392929 /nfs/dbraw/zinc/39/29/29/780392929.db2.gz QZTGUTPWGZRGJA-JLLWLGSASA-N 2 2 298.387 -1.338 20 0 CAADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220882015 780392968 /nfs/dbraw/zinc/39/29/68/780392968.db2.gz QZTGUTPWGZRGJA-MVWJERBFSA-N 2 2 298.387 -1.338 20 0 CAADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220882017 780393483 /nfs/dbraw/zinc/39/34/83/780393483.db2.gz QZTGUTPWGZRGJA-WCQGTBRESA-N 2 2 298.387 -1.338 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220882213 780393608 /nfs/dbraw/zinc/39/36/08/780393608.db2.gz SYINBCGJLVSSIN-PRFIWBCESA-N 2 2 267.329 -1.137 20 0 CAADLP CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220907146 780394825 /nfs/dbraw/zinc/39/48/25/780394825.db2.gz JDYORIZTZQOEMH-UTLUCORTSA-N 2 2 254.334 -1.197 20 0 CAADLP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220936381 780395760 /nfs/dbraw/zinc/39/57/60/780395760.db2.gz FUBPNYQCSJCOEW-DMDPSCGWSA-N 3 2 268.361 -1.567 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937330 780396921 /nfs/dbraw/zinc/39/69/21/780396921.db2.gz PDRRANWJMNFPLO-RYUDHWBXSA-N 3 2 281.360 -1.215 20 0 CAADLP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221006453 780401981 /nfs/dbraw/zinc/40/19/81/780401981.db2.gz HPSUXOGEPZSDDE-BJDJZHNGSA-N 2 2 298.387 -1.277 20 0 CAADLP Cc1nnc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)o1 ZINC001221011193 780402174 /nfs/dbraw/zinc/40/21/74/780402174.db2.gz YHSVUHYJWFMXHR-KWQFWETISA-N 2 2 251.290 -1.054 20 0 CAADLP COC(=O)CC[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(N)=O ZINC001221019604 780402674 /nfs/dbraw/zinc/40/26/74/780402674.db2.gz ZRIANYYEQBDQDH-SKNMHBRKSA-N 2 2 298.343 -1.869 20 0 CAADLP COC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(N)=O ZINC001221019602 780403430 /nfs/dbraw/zinc/40/34/30/780403430.db2.gz ZQOSOOJFDZFTQE-FXQIFTODSA-N 2 2 272.305 -2.544 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221093807 780403977 /nfs/dbraw/zinc/40/39/77/780403977.db2.gz XYAMISRYNTYAGG-WOPDTQHZSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221093807 780403981 /nfs/dbraw/zinc/40/39/81/780403981.db2.gz XYAMISRYNTYAGG-WOPDTQHZSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221093807 780403990 /nfs/dbraw/zinc/40/39/90/780403990.db2.gz XYAMISRYNTYAGG-WOPDTQHZSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001221093807 780403993 /nfs/dbraw/zinc/40/39/93/780403993.db2.gz XYAMISRYNTYAGG-WOPDTQHZSA-N 2 2 298.387 -1.624 20 0 CAADLP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221136325 780404303 /nfs/dbraw/zinc/40/43/03/780404303.db2.gz MWZXWBMTDWJKRV-QWRGUYRKSA-N 3 2 270.377 -1.111 20 0 CAADLP COCCOc1nccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001221158264 780404386 /nfs/dbraw/zinc/40/43/86/780404386.db2.gz XCXQPNWPAXZKBX-QWRGUYRKSA-N 2 2 295.343 -1.335 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001221091846 780404624 /nfs/dbraw/zinc/40/46/24/780404624.db2.gz YKCOSZZVPGMBLG-MXWKQRLJSA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001221091846 780404625 /nfs/dbraw/zinc/40/46/25/780404625.db2.gz YKCOSZZVPGMBLG-MXWKQRLJSA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001221091846 780404628 /nfs/dbraw/zinc/40/46/28/780404628.db2.gz YKCOSZZVPGMBLG-MXWKQRLJSA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001221091846 780404630 /nfs/dbraw/zinc/40/46/30/780404630.db2.gz YKCOSZZVPGMBLG-MXWKQRLJSA-N 2 2 286.376 -1.638 20 0 CAADLP CCCC[C@H](NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001221234076 780407205 /nfs/dbraw/zinc/40/72/05/780407205.db2.gz BIOHFTKAUZGPAD-NEPJUHHUSA-N 2 2 299.419 -1.103 20 0 CAADLP O=C(NC1CN(C2COC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221245929 780408155 /nfs/dbraw/zinc/40/81/55/780408155.db2.gz IXOVCRNSERQQQI-TVQRCGJNSA-N 2 2 266.345 -1.863 20 0 CAADLP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001221240867 780408275 /nfs/dbraw/zinc/40/82/75/780408275.db2.gz GFFVLNCNKKBRNB-KWQFWETISA-N 2 2 267.337 -1.330 20 0 CAADLP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001221240867 780408278 /nfs/dbraw/zinc/40/82/78/780408278.db2.gz GFFVLNCNKKBRNB-KWQFWETISA-N 2 2 267.337 -1.330 20 0 CAADLP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001221240866 780408320 /nfs/dbraw/zinc/40/83/20/780408320.db2.gz GFFVLNCNKKBRNB-GZMMTYOYSA-N 2 2 267.337 -1.330 20 0 CAADLP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001221240866 780408324 /nfs/dbraw/zinc/40/83/24/780408324.db2.gz GFFVLNCNKKBRNB-GZMMTYOYSA-N 2 2 267.337 -1.330 20 0 CAADLP O=C(NC1CN(C2COC2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221245879 780408332 /nfs/dbraw/zinc/40/83/32/780408332.db2.gz HEINZBXDRXPOEB-KPXOXKRLSA-N 2 2 266.345 -1.865 20 0 CAADLP [NH3+]C1(C(=O)NC2CN(C3COC3)C2)CC[NH2+]CC1 ZINC001221245802 780408372 /nfs/dbraw/zinc/40/83/72/780408372.db2.gz DHSXGBKYZGWISY-UHFFFAOYSA-N 2 2 254.334 -1.734 20 0 CAADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221254395 780408515 /nfs/dbraw/zinc/40/85/15/780408515.db2.gz NSSNIAPFDKMGCA-WCQYABFASA-N 3 2 283.420 -1.195 20 0 CAADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221254395 780408520 /nfs/dbraw/zinc/40/85/20/780408520.db2.gz NSSNIAPFDKMGCA-WCQYABFASA-N 3 2 283.420 -1.195 20 0 CAADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221254394 780408696 /nfs/dbraw/zinc/40/86/96/780408696.db2.gz NSSNIAPFDKMGCA-AAEUAGOBSA-N 3 2 283.420 -1.195 20 0 CAADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221254394 780408703 /nfs/dbraw/zinc/40/87/03/780408703.db2.gz NSSNIAPFDKMGCA-AAEUAGOBSA-N 3 2 283.420 -1.195 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221246180 780408884 /nfs/dbraw/zinc/40/88/84/780408884.db2.gz SFAGMLPBXMAOEN-LBPRGKRZSA-N 2 2 279.344 -1.511 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)c1ccccc1 ZINC001221266913 780411485 /nfs/dbraw/zinc/41/14/85/780411485.db2.gz ZLMYSESWSOUFBC-USZNOCQGSA-N 2 2 276.344 -1.795 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccccc1 ZINC001221266911 780411800 /nfs/dbraw/zinc/41/18/00/780411800.db2.gz ZLMYSESWSOUFBC-NNYUYHANSA-N 2 2 276.344 -1.795 20 0 CAADLP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266483 780411928 /nfs/dbraw/zinc/41/19/28/780411928.db2.gz WOCFXHAPEGXFAL-MMWGEVLESA-N 2 2 296.400 -1.863 20 0 CAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265411 780412013 /nfs/dbraw/zinc/41/20/13/780412013.db2.gz LKUMETUSZPUJRP-VFRUTBLMSA-N 2 2 297.363 -3.545 20 0 CAADLP O=C(NC1=CC(=O)NCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221316079 780414171 /nfs/dbraw/zinc/41/41/71/780414171.db2.gz CYDQSGSHYLTKNG-UJNFCWOMSA-N 2 2 250.302 -1.544 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCN2CCCS2(=O)=O)C1 ZINC001221337165 780415662 /nfs/dbraw/zinc/41/56/62/780415662.db2.gz PQSHTEDMFREAPG-BDAKNGLRSA-N 2 2 276.362 -2.173 20 0 CAADLP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221339762 780415883 /nfs/dbraw/zinc/41/58/83/780415883.db2.gz OTDYBUBVLZLTBW-SDDRHHMPSA-N 2 2 292.339 -1.171 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCC[NH3+] ZINC001221348929 780417195 /nfs/dbraw/zinc/41/71/95/780417195.db2.gz MDOSEDRSMRBCMZ-LLVKDONJSA-N 3 2 257.382 -1.408 20 0 CAADLP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221365446 780417269 /nfs/dbraw/zinc/41/72/69/780417269.db2.gz CNOXDBAYASETOF-OGBGREFGSA-N 3 2 256.325 -1.248 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221369232 780417329 /nfs/dbraw/zinc/41/73/29/780417329.db2.gz LBPVGYMTBATYCL-VYUIOLGVSA-N 2 2 266.345 -1.421 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221369231 780417502 /nfs/dbraw/zinc/41/75/02/780417502.db2.gz LBPVGYMTBATYCL-RVBZMBCESA-N 2 2 266.345 -1.421 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221368886 780417510 /nfs/dbraw/zinc/41/75/10/780417510.db2.gz HUZKIZLNDBCKIE-QEYWKRMJSA-N 2 2 266.345 -1.423 20 0 CAADLP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221368006 780417574 /nfs/dbraw/zinc/41/75/74/780417574.db2.gz VPLRXQALYKMYNK-BTQIBKBOSA-N 3 2 256.325 -1.246 20 0 CAADLP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221368007 780417601 /nfs/dbraw/zinc/41/76/01/780417601.db2.gz VPLRXQALYKMYNK-DNRKLUKYSA-N 3 2 256.325 -1.246 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221370526 780418569 /nfs/dbraw/zinc/41/85/69/780418569.db2.gz SDCUFBHVANCPQA-BDAKNGLRSA-N 2 2 265.317 -1.080 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221371845 780418668 /nfs/dbraw/zinc/41/86/68/780418668.db2.gz ZSFOXQMUHNVMJO-VHSXEESVSA-N 2 2 279.344 -1.069 20 0 CAADLP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221369890 780418989 /nfs/dbraw/zinc/41/89/89/780418989.db2.gz NXZWBHVAGNQLOH-LHGDZMGGSA-N 2 2 266.345 -1.151 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370839 780419324 /nfs/dbraw/zinc/41/93/24/780419324.db2.gz UPHDTKFZMXOPHA-ZJUUUORDSA-N 2 2 285.348 -2.039 20 0 CAADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COC[NH2+]1 ZINC001221389681 780419421 /nfs/dbraw/zinc/41/94/21/780419421.db2.gz MHNDKLPADQRBEW-VIFPVBQESA-N 3 2 257.338 -1.004 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001221403386 780419854 /nfs/dbraw/zinc/41/98/54/780419854.db2.gz SKNSWSORRJRHAN-QMMMGPOBSA-N 2 2 283.336 -2.358 20 0 CAADLP Cc1nnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[nH]1 ZINC001221410709 780420374 /nfs/dbraw/zinc/42/03/74/780420374.db2.gz YOPPRJYBBRJRAO-KCJUWKMLSA-N 2 2 250.306 -1.319 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221403758 780420673 /nfs/dbraw/zinc/42/06/73/780420673.db2.gz WVSHMULRMNCDMO-ZJUUUORDSA-N 3 2 256.350 -1.752 20 0 CAADLP Cc1nnc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[nH]1 ZINC001221407377 780420781 /nfs/dbraw/zinc/42/07/81/780420781.db2.gz LNGJLZUXNARMEV-XLDPMVHQSA-N 2 2 250.306 -1.049 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)Cn2cncn2)CC1 ZINC000721857440 780471322 /nfs/dbraw/zinc/47/13/22/780471322.db2.gz DHUJBWLDFBJFSA-UHFFFAOYSA-N 2 2 252.322 -1.183 20 0 CAADLP Cn1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC001235065609 780488712 /nfs/dbraw/zinc/48/87/12/780488712.db2.gz XXOSJDOSIYWEEN-AWEZNQCLSA-N 2 2 293.371 -1.779 20 0 CAADLP Cn1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC001235065609 780488716 /nfs/dbraw/zinc/48/87/16/780488716.db2.gz XXOSJDOSIYWEEN-AWEZNQCLSA-N 2 2 293.371 -1.779 20 0 CAADLP [NH3+][C@H]1NC(CN2CC[NH2+]CCNCC[NH2+]CC2)=CS1 ZINC001235868530 780495662 /nfs/dbraw/zinc/49/56/62/780495662.db2.gz FPMSKTLBRCCPNL-LBPRGKRZSA-N 3 2 286.449 -1.509 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1=CS[C@H]([NH3+])N1 ZINC001236196953 780495681 /nfs/dbraw/zinc/49/56/81/780495681.db2.gz MGDWMWCOSDXIOB-KDILMLJESA-N 2 2 258.347 -1.019 20 0 CAADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001277980776 780496597 /nfs/dbraw/zinc/49/65/97/780496597.db2.gz DSPBSAGFIYWOKK-MNOVXSKESA-N 2 2 256.350 -1.582 20 0 CAADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001277980776 780496604 /nfs/dbraw/zinc/49/66/04/780496604.db2.gz DSPBSAGFIYWOKK-MNOVXSKESA-N 2 2 256.350 -1.582 20 0 CAADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277981917 780497586 /nfs/dbraw/zinc/49/75/86/780497586.db2.gz PZTGWLWLKUQWJI-UWVGGRQHSA-N 2 2 266.345 -1.386 20 0 CAADLP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@H]2C1 ZINC001277981917 780497592 /nfs/dbraw/zinc/49/75/92/780497592.db2.gz PZTGWLWLKUQWJI-UWVGGRQHSA-N 2 2 266.345 -1.386 20 0 CAADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001278036006 780500539 /nfs/dbraw/zinc/50/05/39/780500539.db2.gz WTXZJJVKUFNYOP-SECBINFHSA-N 2 2 253.306 -1.195 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001278105832 780506549 /nfs/dbraw/zinc/50/65/49/780506549.db2.gz PSBAZYOOQTVPSR-RYUDHWBXSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278105833 780506957 /nfs/dbraw/zinc/50/69/57/780506957.db2.gz PSBAZYOOQTVPSR-VXGBXAGGSA-N 2 2 296.371 -1.105 20 0 CAADLP COC(=O)[C@@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238582836 780520696 /nfs/dbraw/zinc/52/06/96/780520696.db2.gz POLLHODPQBGHCT-VIFPVBQESA-N 2 2 279.362 -1.594 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NS(=O)(=O)CC[NH3+] ZINC001238746890 780523103 /nfs/dbraw/zinc/52/31/03/780523103.db2.gz UCMBXPQYZNQJRK-VIFPVBQESA-N 2 2 290.345 -1.618 20 0 CAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238837388 780523418 /nfs/dbraw/zinc/52/34/18/780523418.db2.gz DHFUPEUEZIUUHH-UHFFFAOYSA-N 3 2 264.395 -1.546 20 0 CAADLP O=C(NC1CC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287383 780534247 /nfs/dbraw/zinc/53/42/47/780534247.db2.gz ZRNZTNFPIMQOJW-UHFFFAOYSA-N 2 2 255.366 -1.057 20 0 CAADLP O[C@]1(C[NH2+]C2CN(C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001245985247 780539099 /nfs/dbraw/zinc/53/90/99/780539099.db2.gz AUOHHUYYFGBXJZ-CYBMUJFWSA-N 3 2 254.378 -1.263 20 0 CAADLP O[C@H](CN[C@@H]1C[NH2+]CC[C@H]1F)C[NH+]1CCOCC1 ZINC001246013882 780539137 /nfs/dbraw/zinc/53/91/37/780539137.db2.gz ILDWPEAWJNPSRT-IJLUTSLNSA-N 2 2 261.341 -1.031 20 0 CAADLP O[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1F)C[NH+]1CCOCC1 ZINC001246011507 780539584 /nfs/dbraw/zinc/53/95/84/780539584.db2.gz ILDWPEAWJNPSRT-GRYCIOLGSA-N 2 2 261.341 -1.031 20 0 CAADLP O=C1C[C@@H]2[NH2+]CC[C@]2(NC[C@H](O)C[NH+]2CCOCC2)N1 ZINC001245982817 780539656 /nfs/dbraw/zinc/53/96/56/780539656.db2.gz KAHCKCQYWQQAQQ-GVXVVHGQSA-N 2 2 284.360 -2.153 20 0 CAADLP OC[C@@H]1C[NH2+]C[C@H]1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001245992463 780539902 /nfs/dbraw/zinc/53/99/02/780539902.db2.gz DOVZQZMKXHSRQL-QJPTWQEYSA-N 2 2 259.350 -2.151 20 0 CAADLP O[C@@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023452 780540756 /nfs/dbraw/zinc/54/07/56/780540756.db2.gz DQOFPLGZAPREJS-ZIAGYGMSSA-N 3 2 298.431 -1.511 20 0 CAADLP O[C@@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023452 780540757 /nfs/dbraw/zinc/54/07/57/780540757.db2.gz DQOFPLGZAPREJS-ZIAGYGMSSA-N 3 2 298.431 -1.511 20 0 CAADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029902 780540784 /nfs/dbraw/zinc/54/07/84/780540784.db2.gz WSIOSXFWBDXBMU-KGLIPLIRSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@H](CN1CCOCC1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029902 780540788 /nfs/dbraw/zinc/54/07/88/780540788.db2.gz WSIOSXFWBDXBMU-KGLIPLIRSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@@H](CN1CCN[C@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC001246029902 780540796 /nfs/dbraw/zinc/54/07/96/780540796.db2.gz WSIOSXFWBDXBMU-KGLIPLIRSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029905 780541005 /nfs/dbraw/zinc/54/10/05/780541005.db2.gz WSIOSXFWBDXBMU-ZIAGYGMSSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@H](CN1CCOCC1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029905 780541009 /nfs/dbraw/zinc/54/10/09/780541009.db2.gz WSIOSXFWBDXBMU-ZIAGYGMSSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@@H](CN1CCN[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC001246029905 780541012 /nfs/dbraw/zinc/54/10/12/780541012.db2.gz WSIOSXFWBDXBMU-ZIAGYGMSSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029904 780541071 /nfs/dbraw/zinc/54/10/71/780541071.db2.gz WSIOSXFWBDXBMU-UONOGXRCSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246029904 780541075 /nfs/dbraw/zinc/54/10/75/780541075.db2.gz WSIOSXFWBDXBMU-UONOGXRCSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@H](CN1CCN[C@@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC001246029904 780541079 /nfs/dbraw/zinc/54/10/79/780541079.db2.gz WSIOSXFWBDXBMU-UONOGXRCSA-N 2 2 284.404 -1.683 20 0 CAADLP [NH3+][C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[C@H]1O ZINC001246026657 780541369 /nfs/dbraw/zinc/54/13/69/780541369.db2.gz DVBBTZYZGDMJJN-IJLUTSLNSA-N 2 2 259.350 -1.927 20 0 CAADLP COC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001246049544 780542273 /nfs/dbraw/zinc/54/22/73/780542273.db2.gz BMCBQESXXXRIDW-UTUOFQBUSA-N 2 2 287.360 -1.888 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001246063603 780542580 /nfs/dbraw/zinc/54/25/80/780542580.db2.gz LGTJXGZTZCBXTJ-WOPDTQHZSA-N 2 2 287.360 -1.746 20 0 CAADLP COC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C(C)(C)[NH3+] ZINC001246129373 780543675 /nfs/dbraw/zinc/54/36/75/780543675.db2.gz WRKWYQBXGIYOBK-XHNCKOQMSA-N 2 2 273.333 -1.242 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCCC[NH2+]C2)CN1 ZINC001246112635 780543632 /nfs/dbraw/zinc/54/36/32/780543632.db2.gz QSKKHTPIISMPHF-MDZLAQPJSA-N 2 2 271.361 -1.016 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCCC[NH2+]C2)CN1 ZINC001246112633 780543659 /nfs/dbraw/zinc/54/36/59/780543659.db2.gz QSKKHTPIISMPHF-GMXVVIOVSA-N 2 2 271.361 -1.016 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NCc2nnn3c2C[NH2+]CCC3)C[NH2+]1 ZINC001246129662 780543746 /nfs/dbraw/zinc/54/37/46/780543746.db2.gz HAXRYVZNAGHESM-ZJUUUORDSA-N 2 2 294.359 -1.236 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246132516 780544132 /nfs/dbraw/zinc/54/41/32/780544132.db2.gz DIJKQKIEWUXEKE-OGBGREFGSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@H](NCc2nnn3c2C[NH2+]CCC3)C[NH2+]1 ZINC001246129658 780544215 /nfs/dbraw/zinc/54/42/15/780544215.db2.gz HAXRYVZNAGHESM-UWVGGRQHSA-N 2 2 294.359 -1.236 20 0 CAADLP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CCOC13C[NH2+]C3)CCN2 ZINC001246122759 780544520 /nfs/dbraw/zinc/54/45/20/780544520.db2.gz COKYUFUNGPKTKM-MNOVXSKESA-N 3 2 252.362 -1.199 20 0 CAADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100777 780544799 /nfs/dbraw/zinc/54/47/99/780544799.db2.gz NTKWLIFOKYHTAY-NEPJUHHUSA-N 3 2 290.433 -1.049 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C2(CO)CC[NH2+]CC2)CN1 ZINC001246109373 780544862 /nfs/dbraw/zinc/54/48/62/780544862.db2.gz BOXRQOXIIWBUBZ-UWVGGRQHSA-N 2 2 257.334 -1.406 20 0 CAADLP COC(=O)[C@@H]1C[C@H](NC2(CO)CC[NH2+]CC2)C[NH2+]1 ZINC001246109373 780544870 /nfs/dbraw/zinc/54/48/70/780544870.db2.gz BOXRQOXIIWBUBZ-UWVGGRQHSA-N 2 2 257.334 -1.406 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NCc2nnc3n2CCC[NH2+]C3)C[NH2+]1 ZINC001246136070 780545259 /nfs/dbraw/zinc/54/52/59/780545259.db2.gz QZYALWRPVZYJGP-ZJUUUORDSA-N 2 2 294.359 -1.236 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246147681 780545559 /nfs/dbraw/zinc/54/55/59/780545559.db2.gz MHBQWBDDZRGWBV-HPENLJRUSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246147681 780545563 /nfs/dbraw/zinc/54/55/63/780545563.db2.gz MHBQWBDDZRGWBV-HPENLJRUSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2COCCC23C[NH2+]C3)C[NH2+]1 ZINC001246139126 780545967 /nfs/dbraw/zinc/54/59/67/780545967.db2.gz RQVGJBLJWCWNRA-OUAUKWLOSA-N 2 2 269.345 -1.142 20 0 CAADLP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1C[NH2+][C@@H]3COC[C@H]13)CCN2 ZINC001246133921 780546159 /nfs/dbraw/zinc/54/61/59/780546159.db2.gz KTCFEQIORRHMPR-IRCOFANPSA-N 3 2 252.362 -1.343 20 0 CAADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215351 780548265 /nfs/dbraw/zinc/54/82/65/780548265.db2.gz SPDCDYOEIPTYSD-WDEREUQCSA-N 3 2 270.377 -1.050 20 0 CAADLP COC(=O)[C@@H]1C[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CN1 ZINC001246235855 780549669 /nfs/dbraw/zinc/54/96/69/780549669.db2.gz SHWGIGMSFAEABR-UWVGGRQHSA-N 2 2 269.349 -1.338 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)CN1 ZINC001246234097 780550013 /nfs/dbraw/zinc/55/00/13/780550013.db2.gz VYVKTOKVGFBZBI-JBLDHEPKSA-N 2 2 257.334 -1.406 20 0 CAADLP CCOC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246245935 780550157 /nfs/dbraw/zinc/55/01/57/780550157.db2.gz BLHLLDNKGYYJSF-UWVGGRQHSA-N 2 2 285.344 -1.225 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)CN1 ZINC001246234100 780550250 /nfs/dbraw/zinc/55/02/50/780550250.db2.gz VYVKTOKVGFBZBI-SCVCMEIPSA-N 2 2 257.334 -1.406 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@]2(CCO)CC[NH2+]C2)C[NH2+]1 ZINC001246294833 780551366 /nfs/dbraw/zinc/55/13/66/780551366.db2.gz NMMLVSAIMQIBPR-SCVCMEIPSA-N 2 2 257.334 -1.406 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@@]2(CCO)CC[NH2+]C2)C[NH2+]1 ZINC001246294830 780551428 /nfs/dbraw/zinc/55/14/28/780551428.db2.gz NMMLVSAIMQIBPR-JFGNBEQYSA-N 2 2 257.334 -1.406 20 0 CAADLP CCOC(=O)C1=C(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246349375 780551739 /nfs/dbraw/zinc/55/17/39/780551739.db2.gz KLRCZERWIRKYKO-WPRPVWTQSA-N 2 2 283.328 -1.100 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246327274 780551945 /nfs/dbraw/zinc/55/19/45/780551945.db2.gz SHLMKDXGJUZRIJ-SGMGOOAPSA-N 2 2 282.388 -1.097 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246327272 780552013 /nfs/dbraw/zinc/55/20/13/780552013.db2.gz SHLMKDXGJUZRIJ-MBNYWOFBSA-N 2 2 282.388 -1.097 20 0 CAADLP CCOC(=O)C1=C(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246349369 780552356 /nfs/dbraw/zinc/55/23/56/780552356.db2.gz KLRCZERWIRKYKO-SCZZXKLOSA-N 2 2 283.328 -1.100 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246402029 780553244 /nfs/dbraw/zinc/55/32/44/780553244.db2.gz SPDCDYOEIPTYSD-QWRGUYRKSA-N 3 2 270.377 -1.050 20 0 CAADLP COC(=O)[C@H]1C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246451471 780553479 /nfs/dbraw/zinc/55/34/79/780553479.db2.gz HGXQREQOCHCXPT-GHMZBOCLSA-N 3 2 258.366 -1.192 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246451473 780553646 /nfs/dbraw/zinc/55/36/46/780553646.db2.gz HGXQREQOCHCXPT-MNOVXSKESA-N 3 2 258.366 -1.192 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246400357 780553961 /nfs/dbraw/zinc/55/39/61/780553961.db2.gz FGNZYIIFSJYVCO-LPEHRKFASA-N 2 2 273.333 -1.240 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246400353 780554091 /nfs/dbraw/zinc/55/40/91/780554091.db2.gz FGNZYIIFSJYVCO-GUBZILKMSA-N 2 2 273.333 -1.240 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)CCN1 ZINC001246493174 780554556 /nfs/dbraw/zinc/55/45/56/780554556.db2.gz YDXIVFYKVCAGHU-AXFHLTTASA-N 2 2 256.350 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CCN1 ZINC001246487533 780554743 /nfs/dbraw/zinc/55/47/43/780554743.db2.gz GQXKHJBJXRVQGX-SRVKXCTJSA-N 2 2 270.377 -1.179 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CCN1 ZINC001246493177 780554987 /nfs/dbraw/zinc/55/49/87/780554987.db2.gz YDXIVFYKVCAGHU-DCAQKATOSA-N 2 2 256.350 -1.569 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)CN1 ZINC001246495318 780555728 /nfs/dbraw/zinc/55/57/28/780555728.db2.gz JDCZOCHYQOEWKV-MXWKQRLJSA-N 2 2 256.350 -1.569 20 0 CAADLP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627257 780559966 /nfs/dbraw/zinc/55/99/66/780559966.db2.gz UWCQIFLANKQCPQ-DMDPSCGWSA-N 3 2 268.361 -1.473 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246679225 780561153 /nfs/dbraw/zinc/56/11/53/780561153.db2.gz ZHXHZKKPCKITRR-VLEAKVRGSA-N 2 2 255.318 -1.438 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N(C)CCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246869581 780564076 /nfs/dbraw/zinc/56/40/76/780564076.db2.gz GEXMANKGGGSCRN-NEPJUHHUSA-N 2 2 270.377 -1.273 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@H](N3CC([NH3+])C3)C2)C[NH2+]1 ZINC001246875251 780564225 /nfs/dbraw/zinc/56/42/25/780564225.db2.gz ZPJSJDMWBNAQPB-UPJWGTAASA-N 2 2 282.388 -1.003 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N(C)CCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246869594 780564315 /nfs/dbraw/zinc/56/43/15/780564315.db2.gz GEXMANKGGGSCRN-RYUDHWBXSA-N 2 2 270.377 -1.273 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H](N3CC([NH3+])C3)C2)C[NH2+]1 ZINC001246875247 780564796 /nfs/dbraw/zinc/56/47/96/780564796.db2.gz ZPJSJDMWBNAQPB-AGIUHOORSA-N 2 2 282.388 -1.003 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@H](N3CC([NH3+])C3)C2)C[NH2+]1 ZINC001246875248 780564940 /nfs/dbraw/zinc/56/49/40/780564940.db2.gz ZPJSJDMWBNAQPB-AVGNSLFASA-N 2 2 282.388 -1.003 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001251021701 780569875 /nfs/dbraw/zinc/56/98/75/780569875.db2.gz SWOYXYSGMJNQTM-KBPBESRZSA-N 2 2 287.404 -1.058 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001251021702 780570363 /nfs/dbraw/zinc/57/03/63/780570363.db2.gz SWOYXYSGMJNQTM-KGLIPLIRSA-N 2 2 287.404 -1.058 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252442788 780587051 /nfs/dbraw/zinc/58/70/51/780587051.db2.gz WKZNHSMXHWYMEW-JTQLQIEISA-N 2 2 284.316 -1.418 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252442788 780587055 /nfs/dbraw/zinc/58/70/55/780587055.db2.gz WKZNHSMXHWYMEW-JTQLQIEISA-N 2 2 284.316 -1.418 20 0 CAADLP NC(=O)[C@H](Cc1c[nH+]c[nH]1)[NH2+]CC1(O)CCOCC1 ZINC001252979427 780591306 /nfs/dbraw/zinc/59/13/06/780591306.db2.gz DBFNPHMMTUELKY-JTQLQIEISA-N 2 2 268.317 -1.063 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001278767353 780601251 /nfs/dbraw/zinc/60/12/51/780601251.db2.gz GXARZTSWEQXTHP-NSHDSACASA-N 2 2 270.333 -1.257 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001278767353 780601256 /nfs/dbraw/zinc/60/12/56/780601256.db2.gz GXARZTSWEQXTHP-NSHDSACASA-N 2 2 270.333 -1.257 20 0 CAADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001256321837 780622497 /nfs/dbraw/zinc/62/24/97/780622497.db2.gz QUJIIPFTVRLVOJ-GMTAPVOTSA-N 2 2 257.334 -1.061 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001261632773 780673669 /nfs/dbraw/zinc/67/36/69/780673669.db2.gz MDNYFIJHTGTGPV-SECBINFHSA-N 2 2 267.333 -1.197 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)C(=O)NCCOCCC[NH3+])c1 ZINC001261819821 780685600 /nfs/dbraw/zinc/68/56/00/780685600.db2.gz KMFLGQJMDLYHBU-UHFFFAOYSA-N 2 2 297.359 -1.440 20 0 CAADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001262006125 780695782 /nfs/dbraw/zinc/69/57/82/780695782.db2.gz ACTFZFXNKSTPEP-VHSXEESVSA-N 2 2 256.350 -1.222 20 0 CAADLP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001262006124 780695806 /nfs/dbraw/zinc/69/58/06/780695806.db2.gz ACTFZFXNKSTPEP-UWVGGRQHSA-N 2 2 256.350 -1.222 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001263151115 780722498 /nfs/dbraw/zinc/72/24/98/780722498.db2.gz SGPGTTMCCNTIGM-LLVKDONJSA-N 2 2 275.349 -1.887 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H](O)C[NH3+] ZINC001263154877 780722920 /nfs/dbraw/zinc/72/29/20/780722920.db2.gz GUHQUAAONSXWKR-LLVKDONJSA-N 3 2 260.382 -1.304 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H](O)C[NH3+] ZINC001263154877 780722926 /nfs/dbraw/zinc/72/29/26/780722926.db2.gz GUHQUAAONSXWKR-LLVKDONJSA-N 3 2 260.382 -1.304 20 0 CAADLP CN1CC[NH2+]C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001263155552 780723029 /nfs/dbraw/zinc/72/30/29/780723029.db2.gz YMQXBPPCIXBFHS-ZDUSSCGKSA-N 3 2 285.436 -1.110 20 0 CAADLP CN1CC[NH2+]C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001263155552 780723036 /nfs/dbraw/zinc/72/30/36/780723036.db2.gz YMQXBPPCIXBFHS-ZDUSSCGKSA-N 3 2 285.436 -1.110 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1C[NH3+] ZINC001263214361 780724905 /nfs/dbraw/zinc/72/49/05/780724905.db2.gz OVSYSETWXIHZQY-QWRGUYRKSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001265830097 780760451 /nfs/dbraw/zinc/76/04/51/780760451.db2.gz NTOXFEMZHFBKBF-WCBMZHEXSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001265872867 780762928 /nfs/dbraw/zinc/76/29/28/780762928.db2.gz ILSLNIDQYUTWFP-IUCAKERBSA-N 2 2 253.306 -1.149 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001265872865 780763659 /nfs/dbraw/zinc/76/36/59/780763659.db2.gz ILSLNIDQYUTWFP-BDAKNGLRSA-N 2 2 253.306 -1.149 20 0 CAADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135508080 781370109 /nfs/dbraw/zinc/37/01/09/781370109.db2.gz FQXFBWXFCWVRLD-UHFFFAOYSA-N 2 2 284.364 -1.344 20 0 CAADLP CN(C)C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756203 781382783 /nfs/dbraw/zinc/38/27/83/781382783.db2.gz XHNVQGVHBGUVGU-UHFFFAOYSA-N 2 2 253.306 -1.254 20 0 CAADLP CN1CC[C@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135758154 781382930 /nfs/dbraw/zinc/38/29/30/781382930.db2.gz ZROKXDBHHGFELZ-VIFPVBQESA-N 2 2 265.317 -1.111 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135757843 781382954 /nfs/dbraw/zinc/38/29/54/781382954.db2.gz RULSETZXWBYTEE-MRVPVSSYSA-N 2 2 279.300 -1.537 20 0 CAADLP CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754614 781383121 /nfs/dbraw/zinc/38/31/21/781383121.db2.gz FFWALBDDDBDAEY-UHFFFAOYSA-N 2 2 253.306 -1.206 20 0 CAADLP CN1CC[C@@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135758153 781383545 /nfs/dbraw/zinc/38/35/45/781383545.db2.gz ZROKXDBHHGFELZ-SECBINFHSA-N 2 2 265.317 -1.111 20 0 CAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756194 781383850 /nfs/dbraw/zinc/38/38/50/781383850.db2.gz XAJVTVWKXHCRFE-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP CS(=O)(=O)CC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754699 781383894 /nfs/dbraw/zinc/38/38/94/781383894.db2.gz HZOIJVJYWVNMFP-UHFFFAOYSA-N 2 2 274.346 -1.297 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001135765979 781384253 /nfs/dbraw/zinc/38/42/53/781384253.db2.gz DMLHYJQNLJHTPR-SSDOTTSWSA-N 2 2 282.304 -1.759 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757689 781384420 /nfs/dbraw/zinc/38/44/20/781384420.db2.gz LTYCUHOTGAFINT-QMMMGPOBSA-N 2 2 253.306 -1.208 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135757923 781384522 /nfs/dbraw/zinc/38/45/22/781384522.db2.gz UMPKBRGDFCWBIT-UHFFFAOYSA-N 2 2 294.315 -1.790 20 0 CAADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC1CC1 ZINC001135755069 781384697 /nfs/dbraw/zinc/38/46/97/781384697.db2.gz LSBZGKCNGXNHCY-UHFFFAOYSA-N 2 2 265.317 -1.063 20 0 CAADLP COC[C@@H](O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754807 781384728 /nfs/dbraw/zinc/38/47/28/781384728.db2.gz IHYPSIUMPCOSLU-VIFPVBQESA-N 2 2 256.306 -1.335 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)CN1 ZINC001246088084 781403340 /nfs/dbraw/zinc/40/33/40/781403340.db2.gz IPEJOCAQYJJQKH-DCAQKATOSA-N 2 2 257.334 -1.142 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090538684 781409627 /nfs/dbraw/zinc/40/96/27/781409627.db2.gz KDMNUGVAKKJKIP-NEPJUHHUSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090538684 781409632 /nfs/dbraw/zinc/40/96/32/781409632.db2.gz KDMNUGVAKKJKIP-NEPJUHHUSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090538685 781410110 /nfs/dbraw/zinc/41/01/10/781410110.db2.gz KDMNUGVAKKJKIP-NWDGAFQWSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090538685 781410115 /nfs/dbraw/zinc/41/01/15/781410115.db2.gz KDMNUGVAKKJKIP-NWDGAFQWSA-N 2 2 298.387 -1.635 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090599121 781410954 /nfs/dbraw/zinc/41/09/54/781410954.db2.gz DCQVVEHINMBDPI-NEPJUHHUSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090599121 781410963 /nfs/dbraw/zinc/41/09/63/781410963.db2.gz DCQVVEHINMBDPI-NEPJUHHUSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090601478 781412131 /nfs/dbraw/zinc/41/21/31/781412131.db2.gz RSVVIZDCKGVBNA-WDEREUQCSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090599123 781412168 /nfs/dbraw/zinc/41/21/68/781412168.db2.gz DCQVVEHINMBDPI-RYUDHWBXSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090599123 781412172 /nfs/dbraw/zinc/41/21/72/781412172.db2.gz DCQVVEHINMBDPI-RYUDHWBXSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090678996 781421875 /nfs/dbraw/zinc/42/18/75/781421875.db2.gz KKDFQENWRWOIRH-MNOVXSKESA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090678996 781421880 /nfs/dbraw/zinc/42/18/80/781421880.db2.gz KKDFQENWRWOIRH-MNOVXSKESA-N 2 2 282.344 -1.114 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090728449 781427244 /nfs/dbraw/zinc/42/72/44/781427244.db2.gz SCLGFUDSMCSBNJ-CHWSQXEVSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090728449 781427249 /nfs/dbraw/zinc/42/72/49/781427249.db2.gz SCLGFUDSMCSBNJ-CHWSQXEVSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090728462 781427366 /nfs/dbraw/zinc/42/73/66/781427366.db2.gz SIWWKKHKTVWFLE-NWDGAFQWSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090728462 781427373 /nfs/dbraw/zinc/42/73/73/781427373.db2.gz SIWWKKHKTVWFLE-NWDGAFQWSA-N 2 2 282.344 -1.494 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090765029 781428717 /nfs/dbraw/zinc/42/87/17/781428717.db2.gz USMFARQUPTZZQF-CMPLNLGQSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090765029 781428723 /nfs/dbraw/zinc/42/87/23/781428723.db2.gz USMFARQUPTZZQF-CMPLNLGQSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090765033 781429663 /nfs/dbraw/zinc/42/96/63/781429663.db2.gz USMFARQUPTZZQF-JQWIXIFHSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090765033 781429668 /nfs/dbraw/zinc/42/96/68/781429668.db2.gz USMFARQUPTZZQF-JQWIXIFHSA-N 2 2 282.344 -1.196 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090848403 781437537 /nfs/dbraw/zinc/43/75/37/781437537.db2.gz GCNFUHPCNXSELV-MNOVXSKESA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090848403 781437543 /nfs/dbraw/zinc/43/75/43/781437543.db2.gz GCNFUHPCNXSELV-MNOVXSKESA-N 2 2 268.317 -1.573 20 0 CAADLP COC(=O)[C@H]1C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246451478 781438133 /nfs/dbraw/zinc/43/81/33/781438133.db2.gz HGXQREQOCHCXPT-WDEREUQCSA-N 3 2 258.366 -1.192 20 0 CAADLP O=C(N1CCC2(C1)OCCO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160471136 781441022 /nfs/dbraw/zinc/44/10/22/781441022.db2.gz PULXCAVZFXPOST-ZWNOBZJWSA-N 2 2 267.329 -1.087 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)C(N)=[NH2+] ZINC001144149002 781446144 /nfs/dbraw/zinc/44/61/44/781446144.db2.gz AOGWAPZSUZDXSF-VIFPVBQESA-N 2 2 296.331 -1.175 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)C(N)=[NH2+] ZINC001144149002 781446149 /nfs/dbraw/zinc/44/61/49/781446149.db2.gz AOGWAPZSUZDXSF-VIFPVBQESA-N 2 2 296.331 -1.175 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160531013 781447186 /nfs/dbraw/zinc/44/71/86/781447186.db2.gz FEYOMWPPHRCVMF-BXUZGUMPSA-N 2 2 296.371 -1.745 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160596273 781455069 /nfs/dbraw/zinc/45/50/69/781455069.db2.gz FAGVRIXTHJYGRX-MJVIPROJSA-N 2 2 297.355 -1.272 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3[nH]c(=O)[nH]c(=O)c3C2)C1 ZINC001160640877 781458188 /nfs/dbraw/zinc/45/81/88/781458188.db2.gz SXCSWJJUIKLLBP-MUWHJKNJSA-N 2 2 279.300 -1.538 20 0 CAADLP O=C(N1CC(N2CCNC(=O)C2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160638170 781458492 /nfs/dbraw/zinc/45/84/92/781458492.db2.gz XSZABHDITYYEDD-QMTHXVAHSA-N 2 2 293.371 -2.420 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160658394 781462480 /nfs/dbraw/zinc/46/24/80/781462480.db2.gz WINVYWNSHVTEGT-LDYMZIIASA-N 2 2 288.373 -2.302 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160662659 781462871 /nfs/dbraw/zinc/46/28/71/781462871.db2.gz ZYBMOUKMMDGYRG-YUMQZZPRSA-N 2 2 262.335 -2.707 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCO1 ZINC001160705321 781463669 /nfs/dbraw/zinc/46/36/69/781463669.db2.gz VGASXUPWFSDXIX-RYUDHWBXSA-N 2 2 292.339 -1.029 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001171237422 781465395 /nfs/dbraw/zinc/46/53/95/781465395.db2.gz JKTFTSLDYUJFDQ-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCc2[nH+]ccn2CC1 ZINC001160761342 781476434 /nfs/dbraw/zinc/47/64/34/781476434.db2.gz YZEXGBOONCKCTR-UWVGGRQHSA-N 2 2 250.302 -1.152 20 0 CAADLP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627263 781476488 /nfs/dbraw/zinc/47/64/88/781476488.db2.gz UWCQIFLANKQCPQ-LOWVWBTDSA-N 3 2 268.361 -1.473 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627269 781477154 /nfs/dbraw/zinc/47/71/54/781477154.db2.gz UWCQIFLANKQCPQ-MDZLAQPJSA-N 3 2 268.361 -1.473 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790633 781478990 /nfs/dbraw/zinc/47/89/90/781478990.db2.gz ROEODDTXDQPKRB-UTLUCORTSA-N 2 2 268.317 -2.397 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123134 781485389 /nfs/dbraw/zinc/48/53/89/781485389.db2.gz FSLIOZLZEKFHJE-UHFFFAOYSA-N 2 2 296.331 -1.578 20 0 CAADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146719960 781490382 /nfs/dbraw/zinc/49/03/82/781490382.db2.gz YIMQEXSMFZOYSZ-UHFFFAOYSA-N 2 2 284.364 -1.344 20 0 CAADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146719960 781490388 /nfs/dbraw/zinc/49/03/88/781490388.db2.gz YIMQEXSMFZOYSZ-UHFFFAOYSA-N 2 2 284.364 -1.344 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161009447 781494105 /nfs/dbraw/zinc/49/41/05/781494105.db2.gz VWKYPAWZHBICAU-DCAQKATOSA-N 3 2 268.361 -1.609 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161009462 781494400 /nfs/dbraw/zinc/49/44/00/781494400.db2.gz VWKYPAWZHBICAU-VWYCJHECSA-N 3 2 268.361 -1.609 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001149123522 781495247 /nfs/dbraw/zinc/49/52/47/781495247.db2.gz KNRLUDBMQPIHDV-SECBINFHSA-N 2 2 293.327 -1.228 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123538 781501316 /nfs/dbraw/zinc/50/13/16/781501316.db2.gz LGAQKPUUXIPBAB-UHFFFAOYSA-N 2 2 253.306 -1.288 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001171303574 781510010 /nfs/dbraw/zinc/51/00/10/781510010.db2.gz QXWFHZORUOMZLY-UHFFFAOYSA-N 2 2 293.375 -1.098 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC(N3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC001246930409 781510453 /nfs/dbraw/zinc/51/04/53/781510453.db2.gz ADZWMNBRHAGGEA-AAEUAGOBSA-N 2 2 282.388 -1.179 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001147877546 781524223 /nfs/dbraw/zinc/52/42/23/781524223.db2.gz LFYSNDUAEBSALB-LLVKDONJSA-N 2 2 279.344 -1.101 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147871793 781524291 /nfs/dbraw/zinc/52/42/91/781524291.db2.gz MBIAFIQOVJGKOI-UHFFFAOYSA-N 2 2 282.304 -2.137 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001147871849 781524378 /nfs/dbraw/zinc/52/43/78/781524378.db2.gz OUVIPXAQPMFAJD-MRVPVSSYSA-N 2 2 253.306 -1.458 20 0 CAADLP COC[C@@H](O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871772 781524737 /nfs/dbraw/zinc/52/47/37/781524737.db2.gz LKHAAWQMOLCYIZ-NSHDSACASA-N 2 2 270.333 -1.324 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081429 781525102 /nfs/dbraw/zinc/52/51/02/781525102.db2.gz JXHLLAHKWVBAJN-JTQLQIEISA-N 2 2 292.343 -1.047 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081690 781525180 /nfs/dbraw/zinc/52/51/80/781525180.db2.gz LRUYKVGISKABRG-IUCAKERBSA-N 2 2 267.333 -1.793 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877237 781525346 /nfs/dbraw/zinc/52/53/46/781525346.db2.gz HQVGXBMFMFQIAW-VIFPVBQESA-N 2 2 267.333 -1.197 20 0 CAADLP CC[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001147877241 781525358 /nfs/dbraw/zinc/52/53/58/781525358.db2.gz HUDHLBNVVWSLJI-JTQLQIEISA-N 2 2 267.333 -1.068 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001147871654 781525373 /nfs/dbraw/zinc/52/53/73/781525373.db2.gz GYIJVTDZDPXTFD-SNVBAGLBSA-N 2 2 293.327 -1.526 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877236 781525387 /nfs/dbraw/zinc/52/53/87/781525387.db2.gz HQVGXBMFMFQIAW-SECBINFHSA-N 2 2 267.333 -1.197 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001147915905 781525542 /nfs/dbraw/zinc/52/55/42/781525542.db2.gz PTOANIISWMZYNE-MRVPVSSYSA-N 2 2 296.331 -1.748 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001147970227 781525563 /nfs/dbraw/zinc/52/55/63/781525563.db2.gz CDDPFAPKFFJCNF-UHFFFAOYSA-N 2 2 294.359 -1.590 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)nc1=O ZINC001147877739 781525672 /nfs/dbraw/zinc/52/56/72/781525672.db2.gz OEMGNYVQCBYSFP-SNVBAGLBSA-N 2 2 296.375 -1.344 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001147877739 781525674 /nfs/dbraw/zinc/52/56/74/781525674.db2.gz OEMGNYVQCBYSFP-SNVBAGLBSA-N 2 2 296.375 -1.344 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CCCCNC(N)=[NH2+])C1 ZINC001161138456 781539360 /nfs/dbraw/zinc/53/93/60/781539360.db2.gz ASEYZHKERWJCOV-LBPRGKRZSA-N 2 2 285.348 -1.257 20 0 CAADLP COCCC[NH+]1CCC([NH2+]C(CO)(CO)CO)CC1 ZINC001172244719 781576221 /nfs/dbraw/zinc/57/62/21/781576221.db2.gz IMMWRWYOJKLRFP-UHFFFAOYSA-N 2 2 276.377 -1.207 20 0 CAADLP NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675880 781604441 /nfs/dbraw/zinc/60/44/41/781604441.db2.gz OLXRKPIBOPSDLH-ZDUSSCGKSA-N 2 2 298.387 -1.322 20 0 CAADLP [NH3+]CCN(CCNC(=O)Cc1c[nH]c[nH+]1)N(O)N=O ZINC001176836508 781605939 /nfs/dbraw/zinc/60/59/39/781605939.db2.gz REGJSWVUBJCUKR-UHFFFAOYSA-N 2 2 271.281 -1.383 20 0 CAADLP CNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406430 781618740 /nfs/dbraw/zinc/61/87/40/781618740.db2.gz XMBODWIPDNEGOR-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001177414438 781619230 /nfs/dbraw/zinc/61/92/30/781619230.db2.gz BUFTXQNGLJAKFN-SECBINFHSA-N 2 2 296.331 -1.438 20 0 CAADLP Cn1nnnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411346 781619249 /nfs/dbraw/zinc/61/92/49/781619249.db2.gz JKEZTTUANUFTQO-UHFFFAOYSA-N 2 2 278.320 -1.297 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001177414439 781619439 /nfs/dbraw/zinc/61/94/39/781619439.db2.gz BUFTXQNGLJAKFN-VIFPVBQESA-N 2 2 296.331 -1.438 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001177404538 781619467 /nfs/dbraw/zinc/61/94/67/781619467.db2.gz CPIZIUZVSIFTHB-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001178702078 781637466 /nfs/dbraw/zinc/63/74/66/781637466.db2.gz QISWNTMPMMTTSG-VPOLOUISSA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001178702078 781637471 /nfs/dbraw/zinc/63/74/71/781637471.db2.gz QISWNTMPMMTTSG-VPOLOUISSA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001178702079 781638014 /nfs/dbraw/zinc/63/80/14/781638014.db2.gz QISWNTMPMMTTSG-ZNSHCXBVSA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001178702079 781638017 /nfs/dbraw/zinc/63/80/17/781638017.db2.gz QISWNTMPMMTTSG-ZNSHCXBVSA-N 2 2 268.365 -2.010 20 0 CAADLP C[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[NH+]1CCCC1 ZINC001180585279 781669559 /nfs/dbraw/zinc/66/95/59/781669559.db2.gz KIEAKGURNVRFPU-RCWTZXSCSA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001180764463 781678828 /nfs/dbraw/zinc/67/88/28/781678828.db2.gz YGKATTHRXRNFBV-SECBINFHSA-N 2 2 251.290 -1.208 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001180764463 781678830 /nfs/dbraw/zinc/67/88/30/781678830.db2.gz YGKATTHRXRNFBV-SECBINFHSA-N 2 2 251.290 -1.208 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822598 781701277 /nfs/dbraw/zinc/70/12/77/781701277.db2.gz SHPJZYNCJIZXPF-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822598 781701282 /nfs/dbraw/zinc/70/12/82/781701282.db2.gz SHPJZYNCJIZXPF-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821858 781701658 /nfs/dbraw/zinc/70/16/58/781701658.db2.gz JKVYPUONQRXATB-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821858 781701663 /nfs/dbraw/zinc/70/16/63/781701663.db2.gz JKVYPUONQRXATB-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001182002529 781702836 /nfs/dbraw/zinc/70/28/36/781702836.db2.gz UNUKQNAAMQRVEU-WYUUTHIRSA-N 2 2 282.392 -1.620 20 0 CAADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001182002529 781702843 /nfs/dbraw/zinc/70/28/43/781702843.db2.gz UNUKQNAAMQRVEU-WYUUTHIRSA-N 2 2 282.392 -1.620 20 0 CAADLP CS(=O)(=O)CC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096760 781716383 /nfs/dbraw/zinc/71/63/83/781716383.db2.gz FVNOJRXZWHOGEM-UHFFFAOYSA-N 2 2 277.390 -1.167 20 0 CAADLP C[NH+](C)C1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001182602176 781726155 /nfs/dbraw/zinc/72/61/55/781726155.db2.gz ZHNZIJPXOXDFGU-CIUDSAMLSA-N 2 2 254.338 -2.400 20 0 CAADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001182871656 781729848 /nfs/dbraw/zinc/72/98/48/781729848.db2.gz SOMKIEWAYQNMKG-VLEAKVRGSA-N 2 2 268.365 -2.012 20 0 CAADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001182871656 781729853 /nfs/dbraw/zinc/72/98/53/781729853.db2.gz SOMKIEWAYQNMKG-VLEAKVRGSA-N 2 2 268.365 -2.012 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185258585 781778476 /nfs/dbraw/zinc/77/84/76/781778476.db2.gz WMAHSFYJLVMBEP-RYUDHWBXSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185258585 781778486 /nfs/dbraw/zinc/77/84/86/781778486.db2.gz WMAHSFYJLVMBEP-RYUDHWBXSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185258585 781778491 /nfs/dbraw/zinc/77/84/91/781778491.db2.gz WMAHSFYJLVMBEP-RYUDHWBXSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185258585 781778497 /nfs/dbraw/zinc/77/84/97/781778497.db2.gz WMAHSFYJLVMBEP-RYUDHWBXSA-N 2 2 298.387 -1.452 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001185261887 781778910 /nfs/dbraw/zinc/77/89/10/781778910.db2.gz IXOPPJPCSLVKDG-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001185261887 781778916 /nfs/dbraw/zinc/77/89/16/781778916.db2.gz IXOPPJPCSLVKDG-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001185261887 781778922 /nfs/dbraw/zinc/77/89/22/781778922.db2.gz IXOPPJPCSLVKDG-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001185261887 781778931 /nfs/dbraw/zinc/77/89/31/781778931.db2.gz IXOPPJPCSLVKDG-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCN1C ZINC001185258586 781780112 /nfs/dbraw/zinc/78/01/12/781780112.db2.gz WMAHSFYJLVMBEP-VXGBXAGGSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCN1C ZINC001185258586 781780122 /nfs/dbraw/zinc/78/01/22/781780122.db2.gz WMAHSFYJLVMBEP-VXGBXAGGSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185258586 781780128 /nfs/dbraw/zinc/78/01/28/781780128.db2.gz WMAHSFYJLVMBEP-VXGBXAGGSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185258586 781780136 /nfs/dbraw/zinc/78/01/36/781780136.db2.gz WMAHSFYJLVMBEP-VXGBXAGGSA-N 2 2 298.387 -1.452 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001185261891 781780302 /nfs/dbraw/zinc/78/03/02/781780302.db2.gz IXOPPJPCSLVKDG-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001185261891 781780312 /nfs/dbraw/zinc/78/03/12/781780312.db2.gz IXOPPJPCSLVKDG-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001185261891 781780323 /nfs/dbraw/zinc/78/03/23/781780323.db2.gz IXOPPJPCSLVKDG-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001185261891 781780329 /nfs/dbraw/zinc/78/03/29/781780329.db2.gz IXOPPJPCSLVKDG-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001185266739 781782021 /nfs/dbraw/zinc/78/20/21/781782021.db2.gz FEPGXLMHZTYKLA-GFCCVEGCSA-N 2 2 282.388 -1.319 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001185266739 781782031 /nfs/dbraw/zinc/78/20/31/781782031.db2.gz FEPGXLMHZTYKLA-GFCCVEGCSA-N 2 2 282.388 -1.319 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185917689 781791362 /nfs/dbraw/zinc/79/13/62/781791362.db2.gz DOXRDHHBDGAFAW-MRVPVSSYSA-N 2 2 294.315 -1.662 20 0 CAADLP C[N@H+](C1CN(C(=O)C[NH+]2CC[C@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044385 781793422 /nfs/dbraw/zinc/79/34/22/781793422.db2.gz GJZATBPVXCTWIT-AAEUAGOBSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+](C1CN(C(=O)C[NH+]2CC[C@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044385 781793426 /nfs/dbraw/zinc/79/34/26/781793426.db2.gz GJZATBPVXCTWIT-AAEUAGOBSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+](C1CN(C(=O)C[N@H+]2CC[C@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044385 781793439 /nfs/dbraw/zinc/79/34/39/781793439.db2.gz GJZATBPVXCTWIT-AAEUAGOBSA-N 2 2 283.372 -1.016 20 0 CAADLP O=C(C[N@H+]1CC[C@@H](O)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001186045532 781795355 /nfs/dbraw/zinc/79/53/55/781795355.db2.gz USJKELHKNHFFKO-LLVKDONJSA-N 2 2 277.328 -1.152 20 0 CAADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001186045532 781795362 /nfs/dbraw/zinc/79/53/62/781795362.db2.gz USJKELHKNHFFKO-LLVKDONJSA-N 2 2 277.328 -1.152 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2NCN[C@@H]21 ZINC001186057722 781798466 /nfs/dbraw/zinc/79/84/66/781798466.db2.gz NPSHBKPEKGGGBU-AYHFEMFVSA-N 2 2 270.337 -3.428 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2NCN[C@@H]21 ZINC001186057722 781798475 /nfs/dbraw/zinc/79/84/75/781798475.db2.gz NPSHBKPEKGGGBU-AYHFEMFVSA-N 2 2 270.337 -3.428 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2NCN[C@@H]21 ZINC001186057725 781799263 /nfs/dbraw/zinc/79/92/63/781799263.db2.gz NPSHBKPEKGGGBU-IANFPDNMSA-N 2 2 270.337 -3.428 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2NCN[C@@H]21 ZINC001186057725 781799270 /nfs/dbraw/zinc/79/92/70/781799270.db2.gz NPSHBKPEKGGGBU-IANFPDNMSA-N 2 2 270.337 -3.428 20 0 CAADLP O=C(C[N@H+]1CC[C@@H](O)C1)NCC[NH+]1CC2(COC2)C1 ZINC001186056290 781800072 /nfs/dbraw/zinc/80/00/72/781800072.db2.gz XECVMSHENYECDT-LLVKDONJSA-N 2 2 269.345 -1.499 20 0 CAADLP O=C(C[N@@H+]1CC[C@@H](O)C1)NCC[NH+]1CC2(COC2)C1 ZINC001186056290 781800085 /nfs/dbraw/zinc/80/00/85/781800085.db2.gz XECVMSHENYECDT-LLVKDONJSA-N 2 2 269.345 -1.499 20 0 CAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001186115780 781800674 /nfs/dbraw/zinc/80/06/74/781800674.db2.gz NAKJXWKIWDPJQP-RYUDHWBXSA-N 2 2 299.371 -1.072 20 0 CAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001186115780 781800685 /nfs/dbraw/zinc/80/06/85/781800685.db2.gz NAKJXWKIWDPJQP-RYUDHWBXSA-N 2 2 299.371 -1.072 20 0 CAADLP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC001186115780 781800697 /nfs/dbraw/zinc/80/06/97/781800697.db2.gz NAKJXWKIWDPJQP-RYUDHWBXSA-N 2 2 299.371 -1.072 20 0 CAADLP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC001186115780 781800709 /nfs/dbraw/zinc/80/07/09/781800709.db2.gz NAKJXWKIWDPJQP-RYUDHWBXSA-N 2 2 299.371 -1.072 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576524 781807908 /nfs/dbraw/zinc/80/79/08/781807908.db2.gz UDNYUTRRAZQISA-SECBINFHSA-N 2 2 265.317 -1.111 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092094 781814245 /nfs/dbraw/zinc/81/42/45/781814245.db2.gz OASVNVBSPFZNPH-SNVBAGLBSA-N 2 2 279.344 -1.101 20 0 CAADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001420332513 890429465 /nfs/dbraw/zinc/42/94/65/890429465.db2.gz CDZYAUCIKBJOTM-SECBINFHSA-N 2 2 287.364 -1.431 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001421420396 890509984 /nfs/dbraw/zinc/50/99/84/890509984.db2.gz VJLWDZNYSKBNGG-GHMZBOCLSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421420396 890509990 /nfs/dbraw/zinc/50/99/90/890509990.db2.gz VJLWDZNYSKBNGG-GHMZBOCLSA-N 2 2 271.361 -1.376 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425846401 890833054 /nfs/dbraw/zinc/83/30/54/890833054.db2.gz ILRQELJLYQCADJ-SNVBAGLBSA-N 2 2 283.332 -1.914 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317118852 884174288 /nfs/dbraw/zinc/17/42/88/884174288.db2.gz ZMHBAQDLUABFIU-AOOOYVTPSA-N 2 2 265.317 -1.005 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001317279026 884186812 /nfs/dbraw/zinc/18/68/12/884186812.db2.gz GUHGHZGWUDUNRJ-RKDXNWHRSA-N 2 2 265.317 -1.065 20 0 CAADLP COCC[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001320292619 884410781 /nfs/dbraw/zinc/41/07/81/884410781.db2.gz LPADJQAUKULSFY-SECBINFHSA-N 2 2 256.306 -1.335 20 0 CAADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320703782 884442651 /nfs/dbraw/zinc/44/26/51/884442651.db2.gz SCYRWYRLGFUVLV-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320703782 884442664 /nfs/dbraw/zinc/44/26/64/884442664.db2.gz SCYRWYRLGFUVLV-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP C[NH+]1CCN(CCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC001328454295 884988619 /nfs/dbraw/zinc/98/86/19/884988619.db2.gz FLDFAHTZUOHMBE-UHFFFAOYSA-N 2 2 256.350 -1.926 20 0 CAADLP CN1CC[NH+](CCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC001328454295 884988631 /nfs/dbraw/zinc/98/86/31/884988631.db2.gz FLDFAHTZUOHMBE-UHFFFAOYSA-N 2 2 256.350 -1.926 20 0 CAADLP C[N@H+](CCO)Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001331857765 885360208 /nfs/dbraw/zinc/36/02/08/885360208.db2.gz OVFFOKFHXZWKAG-NSHDSACASA-N 2 2 255.322 -1.309 20 0 CAADLP C[N@@H+](CCO)Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC001331857765 885360229 /nfs/dbraw/zinc/36/02/29/885360229.db2.gz OVFFOKFHXZWKAG-NSHDSACASA-N 2 2 255.322 -1.309 20 0 CAADLP C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC001332226530 885387618 /nfs/dbraw/zinc/38/76/18/885387618.db2.gz UAKJVVWNGSXBRZ-JQWIXIFHSA-N 2 2 268.317 -1.089 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001332224893 885388614 /nfs/dbraw/zinc/38/86/14/885388614.db2.gz BLCGLAPSBPHBPI-GFCCVEGCSA-N 2 2 268.317 -1.191 20 0 CAADLP C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC001332226533 885389687 /nfs/dbraw/zinc/38/96/87/885389687.db2.gz UAKJVVWNGSXBRZ-ZYHUDNBSSA-N 2 2 268.317 -1.089 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001332574684 885424601 /nfs/dbraw/zinc/42/46/01/885424601.db2.gz GSWIZIFVFJVNKV-LLVKDONJSA-N 2 2 270.333 -1.257 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2CNOC2)CC1 ZINC001335623892 885627740 /nfs/dbraw/zinc/62/77/40/885627740.db2.gz XJEQYWPBWMKSSD-JTQLQIEISA-N 2 2 257.338 -1.388 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001340847038 885817837 /nfs/dbraw/zinc/81/78/37/885817837.db2.gz MFMDJMIMFMFATE-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1 ZINC001340847038 885817844 /nfs/dbraw/zinc/81/78/44/885817844.db2.gz MFMDJMIMFMFATE-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341511468 885840329 /nfs/dbraw/zinc/84/03/29/885840329.db2.gz GFOMMALEUUPVRN-NSHDSACASA-N 2 2 258.366 -1.334 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001341511468 885840352 /nfs/dbraw/zinc/84/03/52/885840352.db2.gz GFOMMALEUUPVRN-NSHDSACASA-N 2 2 258.366 -1.334 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@H]1CO ZINC001341578005 885847002 /nfs/dbraw/zinc/84/70/02/885847002.db2.gz GTNVFLVMSJSYIE-VIFPVBQESA-N 2 2 256.306 -2.789 20 0 CAADLP C[C@H](C(=O)NCC1(O)C[NH2+]C1)N1CC[NH2+]CC1=O ZINC001342190830 885876148 /nfs/dbraw/zinc/87/61/48/885876148.db2.gz OPGCKGINTLLYNG-MRVPVSSYSA-N 2 2 256.306 -2.743 20 0 CAADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CNCC[NH3+] ZINC001341753153 885858119 /nfs/dbraw/zinc/85/81/19/885858119.db2.gz POBSYFNHWWICOV-LLVKDONJSA-N 2 2 258.366 -1.238 20 0 CAADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCc2[nH+]ccn2C1 ZINC001342268933 885879055 /nfs/dbraw/zinc/87/90/55/885879055.db2.gz DQVLOAHAFYMZKH-LPEHRKFASA-N 2 2 250.302 -1.106 20 0 CAADLP [NH3+][C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C12CCC2 ZINC001342326404 885883563 /nfs/dbraw/zinc/88/35/63/885883563.db2.gz KCBNPWQTIXIKPH-ZJUUUORDSA-N 2 2 266.345 -1.196 20 0 CAADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC001342982631 885905957 /nfs/dbraw/zinc/90/59/57/885905957.db2.gz UWBDAOSHFLEIPI-VIFPVBQESA-N 2 2 254.334 -1.468 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH2+]CC1=O ZINC001344081547 885932262 /nfs/dbraw/zinc/93/22/62/885932262.db2.gz MLINLICKCUNXKP-YIZRAAEISA-N 2 2 256.306 -2.744 20 0 CAADLP CN(C)c1[nH+]cc(CNC(=O)CNC(=O)C[NH3+])n1C ZINC001349107541 886112674 /nfs/dbraw/zinc/11/26/74/886112674.db2.gz FENLZRSWVQRXSU-UHFFFAOYSA-N 2 2 268.321 -1.823 20 0 CAADLP C[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001349457510 886128856 /nfs/dbraw/zinc/12/88/56/886128856.db2.gz FFQWRNGKXPJQDG-JTQLQIEISA-N 2 2 265.317 -1.008 20 0 CAADLP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001349649313 886141847 /nfs/dbraw/zinc/14/18/47/886141847.db2.gz TWNUCDKFIWHVPT-PHIMTYICSA-N 2 2 257.334 -1.766 20 0 CAADLP NC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001351679570 886223454 /nfs/dbraw/zinc/22/34/54/886223454.db2.gz NSXDRDZFCPSEBN-ZJUUUORDSA-N 2 2 268.317 -1.271 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001351216261 886205261 /nfs/dbraw/zinc/20/52/61/886205261.db2.gz KJIAKNQZABHJKJ-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1C(=O)CNC1=O ZINC001351216261 886205279 /nfs/dbraw/zinc/20/52/79/886205279.db2.gz KJIAKNQZABHJKJ-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH2+]CC1=O ZINC001358464249 886428402 /nfs/dbraw/zinc/42/84/02/886428402.db2.gz WXSZVQUUIOMANI-CHWFTXMASA-N 2 2 266.345 -1.184 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)[C@@H]1CCC[C@H]1O ZINC001362096196 886535229 /nfs/dbraw/zinc/53/52/29/886535229.db2.gz YJVCZKHRHQLLET-CHWSQXEVSA-N 2 2 285.388 -1.032 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)[C@@H]1CCC[C@H]1O ZINC001362096196 886535217 /nfs/dbraw/zinc/53/52/17/886535217.db2.gz YJVCZKHRHQLLET-CHWSQXEVSA-N 2 2 285.388 -1.032 20 0 CAADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001367775067 887433645 /nfs/dbraw/zinc/43/36/45/887433645.db2.gz YQIUSEGDFFFIGK-WDEREUQCSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CC(N)=O ZINC001368986702 887509469 /nfs/dbraw/zinc/50/94/69/887509469.db2.gz IAZJJTJSRNMNGT-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CC(N)=O ZINC001368986702 887509480 /nfs/dbraw/zinc/50/94/80/887509480.db2.gz IAZJJTJSRNMNGT-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP COCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001369553856 887587121 /nfs/dbraw/zinc/58/71/21/887587121.db2.gz NIZUVBNXVKBANL-NSHDSACASA-N 2 2 286.376 -1.512 20 0 CAADLP COCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001369553856 887587129 /nfs/dbraw/zinc/58/71/29/887587129.db2.gz NIZUVBNXVKBANL-NSHDSACASA-N 2 2 286.376 -1.512 20 0 CAADLP COCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001369553856 887587138 /nfs/dbraw/zinc/58/71/38/887587138.db2.gz NIZUVBNXVKBANL-NSHDSACASA-N 2 2 286.376 -1.512 20 0 CAADLP COCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001369553856 887587143 /nfs/dbraw/zinc/58/71/43/887587143.db2.gz NIZUVBNXVKBANL-NSHDSACASA-N 2 2 286.376 -1.512 20 0 CAADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376922290 887966338 /nfs/dbraw/zinc/96/63/38/887966338.db2.gz RKGBSZWCWLUTTM-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376922290 887966348 /nfs/dbraw/zinc/96/63/48/887966348.db2.gz RKGBSZWCWLUTTM-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376922290 887966360 /nfs/dbraw/zinc/96/63/60/887966360.db2.gz RKGBSZWCWLUTTM-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376922290 887966367 /nfs/dbraw/zinc/96/63/67/887966367.db2.gz RKGBSZWCWLUTTM-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CC[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[NH+](C)C ZINC001393362603 888783707 /nfs/dbraw/zinc/78/37/07/888783707.db2.gz VMDJMTSFJPTCFW-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001394613371 888860051 /nfs/dbraw/zinc/86/00/51/888860051.db2.gz AHPJLTIDLSKYGD-SNVBAGLBSA-N 2 2 285.348 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001394658287 888880422 /nfs/dbraw/zinc/88/04/22/888880422.db2.gz RTJUOHWDCRSNIQ-SECBINFHSA-N 2 2 283.332 -2.095 20 0 CAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001402465339 889242566 /nfs/dbraw/zinc/24/25/66/889242566.db2.gz CDVSZTWAWPKFPE-SECBINFHSA-N 2 2 283.332 -1.764 20 0 CAADLP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403149826 889286481 /nfs/dbraw/zinc/28/64/81/889286481.db2.gz XDSNFFOOJVMLMC-MNOVXSKESA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001403885306 889382780 /nfs/dbraw/zinc/38/27/80/889382780.db2.gz XYKUTEYZHPCCIS-WCBMZHEXSA-N 2 2 283.332 -1.765 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637942 890249238 /nfs/dbraw/zinc/24/92/38/890249238.db2.gz ISIUXKZYMYHYNG-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637942 890249254 /nfs/dbraw/zinc/24/92/54/890249254.db2.gz ISIUXKZYMYHYNG-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637942 890249268 /nfs/dbraw/zinc/24/92/68/890249268.db2.gz ISIUXKZYMYHYNG-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637942 890249281 /nfs/dbraw/zinc/24/92/81/890249281.db2.gz ISIUXKZYMYHYNG-JHJVBQTASA-N 2 2 285.388 -1.034 20 0 CAADLP COCC[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C ZINC000923613321 883996742 /nfs/dbraw/zinc/99/67/42/883996742.db2.gz XEAYQDKNDKKHKP-SNVBAGLBSA-N 2 2 277.390 -1.060 20 0 CAADLP COCC[N@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C ZINC000923613321 883996751 /nfs/dbraw/zinc/99/67/51/883996751.db2.gz XEAYQDKNDKKHKP-SNVBAGLBSA-N 2 2 277.390 -1.060 20 0 CAADLP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000923614523 883996278 /nfs/dbraw/zinc/99/62/78/883996278.db2.gz ARHXHVFFGYYEQL-JTQLQIEISA-N 2 2 277.390 -1.154 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126432426 884056092 /nfs/dbraw/zinc/05/60/92/884056092.db2.gz RZPUQKHSRGCDBO-UHFFFAOYSA-N 2 2 253.306 -1.206 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(F)C[NH2+]C1 ZINC001157322931 884065570 /nfs/dbraw/zinc/06/55/70/884065570.db2.gz DZIOJZLGWWJQKV-QMMMGPOBSA-N 2 2 260.313 -1.342 20 0 CAADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)NC(N)=O ZINC001316869234 884158164 /nfs/dbraw/zinc/15/81/64/884158164.db2.gz ROAYPYIYPOKDJL-UHFFFAOYSA-N 2 2 296.331 -1.484 20 0 CAADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)NC(N)=O ZINC001316869234 884158173 /nfs/dbraw/zinc/15/81/73/884158173.db2.gz ROAYPYIYPOKDJL-UHFFFAOYSA-N 2 2 296.331 -1.484 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001317279009 884186458 /nfs/dbraw/zinc/18/64/58/884186458.db2.gz GUHGHZGWUDUNRJ-BDAKNGLRSA-N 2 2 265.317 -1.065 20 0 CAADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001317629024 884232580 /nfs/dbraw/zinc/23/25/80/884232580.db2.gz MSGUUFWLYISFLX-JTQLQIEISA-N 2 2 298.391 -1.003 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001320261614 884406110 /nfs/dbraw/zinc/40/61/10/884406110.db2.gz UGIICUDVCXTYPN-JTQLQIEISA-N 2 2 270.333 -1.588 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CCO ZINC001320285381 884407839 /nfs/dbraw/zinc/40/78/39/884407839.db2.gz ZNWRDXQYOIGFHB-MWLCHTKSSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CCO ZINC001320285381 884407847 /nfs/dbraw/zinc/40/78/47/884407847.db2.gz ZNWRDXQYOIGFHB-MWLCHTKSSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320318085 884414481 /nfs/dbraw/zinc/41/44/81/884414481.db2.gz UIPXMNBZSPURCI-UWVGGRQHSA-N 2 2 256.306 -1.669 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320318086 884414565 /nfs/dbraw/zinc/41/45/65/884414565.db2.gz UIPXMNBZSPURCI-VHSXEESVSA-N 2 2 256.306 -1.669 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320318084 884415467 /nfs/dbraw/zinc/41/54/67/884415467.db2.gz UIPXMNBZSPURCI-NXEZZACHSA-N 2 2 256.306 -1.669 20 0 CAADLP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320702695 884443192 /nfs/dbraw/zinc/44/31/92/884443192.db2.gz GAMFJEROABZWON-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320702695 884443193 /nfs/dbraw/zinc/44/31/93/884443193.db2.gz GAMFJEROABZWON-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001321306643 884486668 /nfs/dbraw/zinc/48/66/68/884486668.db2.gz IRACECPJOIVUTN-NSCUHMNNSA-N 2 2 265.317 -1.040 20 0 CAADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322002469 884534135 /nfs/dbraw/zinc/53/41/35/884534135.db2.gz LOLPZALOTQASDX-WCBMZHEXSA-N 2 2 265.317 -1.065 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC001326276298 884780920 /nfs/dbraw/zinc/78/09/20/884780920.db2.gz UKWQVNZPFWKWAA-SECBINFHSA-N 2 2 259.306 -1.675 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC001326276299 884780942 /nfs/dbraw/zinc/78/09/42/884780942.db2.gz UKWQVNZPFWKWAA-VIFPVBQESA-N 2 2 259.306 -1.675 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC001327196776 884867519 /nfs/dbraw/zinc/86/75/19/884867519.db2.gz WOBVECWAWQWRBF-SECBINFHSA-N 2 2 254.334 -1.066 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC001327196776 884867537 /nfs/dbraw/zinc/86/75/37/884867537.db2.gz WOBVECWAWQWRBF-SECBINFHSA-N 2 2 254.334 -1.066 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC001328205670 884959013 /nfs/dbraw/zinc/95/90/13/884959013.db2.gz PNCMNPKXZLTFLY-VIFPVBQESA-N 2 2 265.317 -1.063 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC001329499924 885109436 /nfs/dbraw/zinc/10/94/36/885109436.db2.gz WPOKSLGYYXHGIX-LLVKDONJSA-N 2 2 281.360 -2.466 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC001329499924 885109446 /nfs/dbraw/zinc/10/94/46/885109446.db2.gz WPOKSLGYYXHGIX-LLVKDONJSA-N 2 2 281.360 -2.466 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329563688 885118732 /nfs/dbraw/zinc/11/87/32/885118732.db2.gz DBCRLYLIOXKLPR-ZJUUUORDSA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329563688 885118739 /nfs/dbraw/zinc/11/87/39/885118739.db2.gz DBCRLYLIOXKLPR-ZJUUUORDSA-N 2 2 254.334 -1.196 20 0 CAADLP C[NH2+][C@H](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001330596484 885209875 /nfs/dbraw/zinc/20/98/75/885209875.db2.gz KXJAMPHBPQYIKM-ZJUUUORDSA-N 2 2 256.350 -1.079 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001330853349 885234848 /nfs/dbraw/zinc/23/48/48/885234848.db2.gz KCHNHJHQPSNLHS-VIFPVBQESA-N 2 2 254.334 -1.244 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001330853349 885234864 /nfs/dbraw/zinc/23/48/64/885234864.db2.gz KCHNHJHQPSNLHS-VIFPVBQESA-N 2 2 254.334 -1.244 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CNC(=O)C1 ZINC001331142510 885254882 /nfs/dbraw/zinc/25/48/82/885254882.db2.gz BSPYBWKIZMSDLB-NSHDSACASA-N 2 2 268.361 -1.172 20 0 CAADLP C[N@H+](CCO)Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001331857762 885361892 /nfs/dbraw/zinc/36/18/92/885361892.db2.gz OVFFOKFHXZWKAG-LLVKDONJSA-N 2 2 255.322 -1.309 20 0 CAADLP C[N@@H+](CCO)Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC001331857762 885361914 /nfs/dbraw/zinc/36/19/14/885361914.db2.gz OVFFOKFHXZWKAG-LLVKDONJSA-N 2 2 255.322 -1.309 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001332753995 885435546 /nfs/dbraw/zinc/43/55/46/885435546.db2.gz AMKIKFNXTSPTQP-UONOGXRCSA-N 2 2 297.447 -1.016 20 0 CAADLP OCc1cn(CCC[NH2+][C@@H]2C[NH2+]CCOC2)nn1 ZINC001332880684 885446394 /nfs/dbraw/zinc/44/63/94/885446394.db2.gz YTPJOQYJIDTZEX-SNVBAGLBSA-N 2 2 255.322 -1.262 20 0 CAADLP CN1CC[N@H+](C)[C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC001333582381 885493972 /nfs/dbraw/zinc/49/39/72/885493972.db2.gz ISDKMNBMHJQXOV-GHMZBOCLSA-N 2 2 283.376 -1.286 20 0 CAADLP CN1CC[N@@H+](C)[C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC001333582381 885493976 /nfs/dbraw/zinc/49/39/76/885493976.db2.gz ISDKMNBMHJQXOV-GHMZBOCLSA-N 2 2 283.376 -1.286 20 0 CAADLP CS(=O)(=O)N[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001334338804 885534947 /nfs/dbraw/zinc/53/49/47/885534947.db2.gz QWGLYPXUVHCSSE-XKNYDFJKSA-N 2 2 263.363 -1.540 20 0 CAADLP CS(=O)(=O)N[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001334338804 885534963 /nfs/dbraw/zinc/53/49/63/885534963.db2.gz QWGLYPXUVHCSSE-XKNYDFJKSA-N 2 2 263.363 -1.540 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001335593164 885624188 /nfs/dbraw/zinc/62/41/88/885624188.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC001335593164 885624202 /nfs/dbraw/zinc/62/42/02/885624202.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001335593164 885624210 /nfs/dbraw/zinc/62/42/10/885624210.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 2 297.403 -1.831 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001335593164 885624217 /nfs/dbraw/zinc/62/42/17/885624217.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 2 297.403 -1.831 20 0 CAADLP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000070 885643167 /nfs/dbraw/zinc/64/31/67/885643167.db2.gz JKBQWWPTJQVGDP-KBPBESRZSA-N 3 2 286.420 -1.749 20 0 CAADLP [NH3+][C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)C(F)F ZINC001336646904 885675048 /nfs/dbraw/zinc/67/50/48/885675048.db2.gz NISDIIKFVIHJOM-SSDOTTSWSA-N 2 2 264.276 -1.483 20 0 CAADLP COCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(N)=O ZINC001338518347 885748683 /nfs/dbraw/zinc/74/86/83/885748683.db2.gz IMMLDYNJJAJJEV-MNOVXSKESA-N 2 2 259.350 -1.077 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001340093855 885790683 /nfs/dbraw/zinc/79/06/83/885790683.db2.gz MLFIJQCMRHEKTP-LLVKDONJSA-N 2 2 259.350 -1.125 20 0 CAADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340786023 885815892 /nfs/dbraw/zinc/81/58/92/885815892.db2.gz IKRZYIPJWSQTCU-DVVUODLYSA-N 2 2 250.302 -1.106 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CO ZINC001340804322 885817129 /nfs/dbraw/zinc/81/71/29/885817129.db2.gz ZYIAZCGONDFFNE-NXEZZACHSA-N 2 2 261.322 -2.543 20 0 CAADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CO)[NH+]1CCOCC1 ZINC001340788791 885817566 /nfs/dbraw/zinc/81/75/66/885817566.db2.gz GZMDHGARDAZTFK-MNOVXSKESA-N 2 2 259.350 -1.221 20 0 CAADLP CN1CC[NH2+]C[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056924 885823173 /nfs/dbraw/zinc/82/31/73/885823173.db2.gz PLBAYXLZVRWDJG-LBPRGKRZSA-N 3 2 269.393 -1.571 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H](O)C[NH3+])[C@H](C)CO1 ZINC001341353176 885834847 /nfs/dbraw/zinc/83/48/47/885834847.db2.gz ZESWODWHJOOCQD-GMTAPVOTSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H](O)C[NH3+])[C@H](C)CO1 ZINC001341353176 885834853 /nfs/dbraw/zinc/83/48/53/885834853.db2.gz ZESWODWHJOOCQD-GMTAPVOTSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)C[C@@H](O)C[NH2+]1 ZINC001341677134 885853230 /nfs/dbraw/zinc/85/32/30/885853230.db2.gz ZGHCQXRMMNQSFR-PWSUYJOCSA-N 2 2 257.334 -1.764 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001341672418 885854032 /nfs/dbraw/zinc/85/40/32/885854032.db2.gz GPPVWIOXLXKRAW-RUETXSTFSA-N 2 2 266.345 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001341672418 885854046 /nfs/dbraw/zinc/85/40/46/885854046.db2.gz GPPVWIOXLXKRAW-RUETXSTFSA-N 2 2 266.345 -1.196 20 0 CAADLP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)C[C@H](O)C[NH2+]1 ZINC001341677132 885854575 /nfs/dbraw/zinc/85/45/75/885854575.db2.gz ZGHCQXRMMNQSFR-CMPLNLGQSA-N 2 2 257.334 -1.764 20 0 CAADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)C[C@H](O)C[NH2+]1 ZINC001341677133 885855212 /nfs/dbraw/zinc/85/52/12/885855212.db2.gz ZGHCQXRMMNQSFR-JQWIXIFHSA-N 2 2 257.334 -1.764 20 0 CAADLP CC1(C)CN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1[NH3+] ZINC001341727701 885855703 /nfs/dbraw/zinc/85/57/03/885855703.db2.gz QKMMLCRDJGQTII-VIFPVBQESA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](NC(=O)COCC[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001342035736 885867346 /nfs/dbraw/zinc/86/73/46/885867346.db2.gz NWZBXGYDJHQZNT-WDEREUQCSA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@H](NC(=O)COCC[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001342035736 885867359 /nfs/dbraw/zinc/86/73/59/885867359.db2.gz NWZBXGYDJHQZNT-WDEREUQCSA-N 2 2 258.366 -1.288 20 0 CAADLP C[NH+](C)CC[C@@H](N)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001342036553 885867403 /nfs/dbraw/zinc/86/74/03/885867403.db2.gz QOYVRZTZIKTIAT-WDEREUQCSA-N 2 2 258.366 -1.600 20 0 CAADLP C[NH+](C)CC[C@@H](N)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001342036553 885867418 /nfs/dbraw/zinc/86/74/18/885867418.db2.gz QOYVRZTZIKTIAT-WDEREUQCSA-N 2 2 258.366 -1.600 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001342084063 885872123 /nfs/dbraw/zinc/87/21/23/885872123.db2.gz AAIYEODXQDDXBG-LLVKDONJSA-N 2 2 268.361 -1.076 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](O)C[NH3+] ZINC001342303834 885882674 /nfs/dbraw/zinc/88/26/74/885882674.db2.gz RGFYKYNFPLECOU-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP [NH3+][C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C12CCC2 ZINC001342326396 885882682 /nfs/dbraw/zinc/88/26/82/885882682.db2.gz KCBNPWQTIXIKPH-UWVGGRQHSA-N 2 2 266.345 -1.196 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](O)C[NH3+] ZINC001342303835 885883452 /nfs/dbraw/zinc/88/34/52/885883452.db2.gz RGFYKYNFPLECOU-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](O)C[NH3+] ZINC001342303833 885884476 /nfs/dbraw/zinc/88/44/76/885884476.db2.gz RGFYKYNFPLECOU-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342357285 885884368 /nfs/dbraw/zinc/88/43/68/885884368.db2.gz LQEKWIBDYNJPLX-UTUOFQBUSA-N 2 2 268.361 -1.833 20 0 CAADLP COCC[NH2+]CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342476269 885890238 /nfs/dbraw/zinc/89/02/38/885890238.db2.gz LQUDSXRSCDZVMP-UHFFFAOYSA-N 3 2 258.366 -1.238 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001342717615 885897846 /nfs/dbraw/zinc/89/78/46/885897846.db2.gz MQVKCUQOZQFYBI-QWHCGFSZSA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001342717615 885897858 /nfs/dbraw/zinc/89/78/58/885897858.db2.gz MQVKCUQOZQFYBI-QWHCGFSZSA-N 2 2 283.420 -1.358 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342798164 885898572 /nfs/dbraw/zinc/89/85/72/885898572.db2.gz NXEUGJVMDQLIPO-GDGBQDQQSA-N 2 2 252.318 -1.906 20 0 CAADLP [NH3+][C@@H]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001342853150 885901834 /nfs/dbraw/zinc/90/18/34/885901834.db2.gz HKLZYMSMGGGGRH-VHSXEESVSA-N 2 2 254.334 -1.338 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNCC[NH3+] ZINC001343879214 885927251 /nfs/dbraw/zinc/92/72/51/885927251.db2.gz LGBZKTSAQIRMLC-LLVKDONJSA-N 2 2 258.366 -1.286 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNCC[NH3+] ZINC001343879215 885927872 /nfs/dbraw/zinc/92/78/72/885927872.db2.gz LGBZKTSAQIRMLC-NSHDSACASA-N 2 2 258.366 -1.286 20 0 CAADLP CN1C[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)NC1=O ZINC001344708967 885948180 /nfs/dbraw/zinc/94/81/80/885948180.db2.gz TZQHCHUVHWQEAA-JTQLQIEISA-N 2 2 269.349 -1.451 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@]12CC[NH2+]C2 ZINC001345627615 885965811 /nfs/dbraw/zinc/96/58/11/885965811.db2.gz YBHZQEODIUUXIZ-CYBMUJFWSA-N 2 2 266.345 -1.227 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001346103233 885986309 /nfs/dbraw/zinc/98/63/09/885986309.db2.gz GXDXSZKNTIQYSY-KXUCPTDWSA-N 2 2 254.334 -1.210 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001346103233 885986316 /nfs/dbraw/zinc/98/63/16/885986316.db2.gz GXDXSZKNTIQYSY-KXUCPTDWSA-N 2 2 254.334 -1.210 20 0 CAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001348319648 886073044 /nfs/dbraw/zinc/07/30/44/886073044.db2.gz IYPOHYRYKASGJL-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC001349649313 886141836 /nfs/dbraw/zinc/14/18/36/886141836.db2.gz TWNUCDKFIWHVPT-PHIMTYICSA-N 2 2 257.334 -1.766 20 0 CAADLP C[C@H]([NH3+])CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001349804317 886150071 /nfs/dbraw/zinc/15/00/71/886150071.db2.gz XEKJZCOYEAALIX-VIFPVBQESA-N 2 2 253.306 -1.147 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001351550547 886210532 /nfs/dbraw/zinc/21/05/32/886210532.db2.gz GMDNPZIVVNXLEK-SECBINFHSA-N 2 2 267.333 -1.116 20 0 CAADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001352802787 886249446 /nfs/dbraw/zinc/24/94/46/886249446.db2.gz KGMLPCNCZNUQLF-WDEREUQCSA-N 2 2 262.350 -1.599 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001353468852 886280742 /nfs/dbraw/zinc/28/07/42/886280742.db2.gz IIYXJWNEFHIHCU-UHFFFAOYSA-N 2 2 258.366 -1.285 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001353591817 886286198 /nfs/dbraw/zinc/28/61/98/886286198.db2.gz VZTDSMWKLFETDD-OLZOCXBDSA-N 2 2 283.420 -1.358 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001355094263 886334027 /nfs/dbraw/zinc/33/40/27/886334027.db2.gz LJAGOGINTURHEB-WDEREUQCSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355497551 886340080 /nfs/dbraw/zinc/34/00/80/886340080.db2.gz JKUDPCYOYSTPEX-IVZWLZJFSA-N 2 2 252.318 -1.573 20 0 CAADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001357656150 886411511 /nfs/dbraw/zinc/41/15/11/886411511.db2.gz ZEZIMKSWJBFNJP-SNVBAGLBSA-N 2 2 259.350 -1.125 20 0 CAADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112356 886421339 /nfs/dbraw/zinc/42/13/39/886421339.db2.gz YQNPABBJTSGWAP-JSGCOSHPSA-N 3 2 295.431 -1.086 20 0 CAADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112356 886421348 /nfs/dbraw/zinc/42/13/48/886421348.db2.gz YQNPABBJTSGWAP-JSGCOSHPSA-N 3 2 295.431 -1.086 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001365340284 887197115 /nfs/dbraw/zinc/19/71/15/887197115.db2.gz GSOMFFKUXKDXFD-MJBXVCDLSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001365340284 887197125 /nfs/dbraw/zinc/19/71/25/887197125.db2.gz GSOMFFKUXKDXFD-MJBXVCDLSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001365340284 887197133 /nfs/dbraw/zinc/19/71/33/887197133.db2.gz GSOMFFKUXKDXFD-MJBXVCDLSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001365340284 887197142 /nfs/dbraw/zinc/19/71/42/887197142.db2.gz GSOMFFKUXKDXFD-MJBXVCDLSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CCO)[C@H](CO)C1 ZINC001365340275 887198049 /nfs/dbraw/zinc/19/80/49/887198049.db2.gz GSOMFFKUXKDXFD-IHRRRGAJSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CCO)[C@H](CO)C1 ZINC001365340275 887198058 /nfs/dbraw/zinc/19/80/58/887198058.db2.gz GSOMFFKUXKDXFD-IHRRRGAJSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001365340275 887198069 /nfs/dbraw/zinc/19/80/69/887198069.db2.gz GSOMFFKUXKDXFD-IHRRRGAJSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001365340275 887198078 /nfs/dbraw/zinc/19/80/78/887198078.db2.gz GSOMFFKUXKDXFD-IHRRRGAJSA-N 2 2 290.404 -1.152 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001366005966 887259197 /nfs/dbraw/zinc/25/91/97/887259197.db2.gz RJJAFUYPEHJCQD-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366005966 887259221 /nfs/dbraw/zinc/25/92/21/887259221.db2.gz RJJAFUYPEHJCQD-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366098473 887266280 /nfs/dbraw/zinc/26/62/80/887266280.db2.gz LLULYGUROFZEFR-QMMMGPOBSA-N 2 2 294.315 -1.662 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001366153267 887276584 /nfs/dbraw/zinc/27/65/84/887276584.db2.gz AWUNKZIOMPIEJO-AOOOYVTPSA-N 2 2 281.364 -1.101 20 0 CAADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001366361726 887294287 /nfs/dbraw/zinc/29/42/87/887294287.db2.gz YKGPQLMINRBPSL-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360341 887296763 /nfs/dbraw/zinc/29/67/63/887296763.db2.gz UKDKQXOWLJCBLA-VHSXEESVSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360341 887296780 /nfs/dbraw/zinc/29/67/80/887296780.db2.gz UKDKQXOWLJCBLA-VHSXEESVSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360246 887297127 /nfs/dbraw/zinc/29/71/27/887297127.db2.gz UKDKQXOWLJCBLA-NXEZZACHSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360246 887297148 /nfs/dbraw/zinc/29/71/48/887297148.db2.gz UKDKQXOWLJCBLA-NXEZZACHSA-N 2 2 296.375 -1.346 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCNC1=O ZINC001366524450 887310015 /nfs/dbraw/zinc/31/00/15/887310015.db2.gz YTGALEAJKWJJDR-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001366524450 887309990 /nfs/dbraw/zinc/30/99/90/887309990.db2.gz YTGALEAJKWJJDR-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001366524450 887309996 /nfs/dbraw/zinc/30/99/96/887309996.db2.gz YTGALEAJKWJJDR-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCNC1=O ZINC001366524450 887310003 /nfs/dbraw/zinc/31/00/03/887310003.db2.gz YTGALEAJKWJJDR-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001366524448 887312341 /nfs/dbraw/zinc/31/23/41/887312341.db2.gz YTGALEAJKWJJDR-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001366524448 887312347 /nfs/dbraw/zinc/31/23/47/887312347.db2.gz YTGALEAJKWJJDR-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCNC1=O ZINC001366524448 887312358 /nfs/dbraw/zinc/31/23/58/887312358.db2.gz YTGALEAJKWJJDR-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCNC1=O ZINC001366524448 887312367 /nfs/dbraw/zinc/31/23/67/887312367.db2.gz YTGALEAJKWJJDR-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366593179 887320490 /nfs/dbraw/zinc/32/04/90/887320490.db2.gz VZLXTQAPIMVLJX-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366593179 887320499 /nfs/dbraw/zinc/32/04/99/887320499.db2.gz VZLXTQAPIMVLJX-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366593179 887320513 /nfs/dbraw/zinc/32/05/13/887320513.db2.gz VZLXTQAPIMVLJX-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366593179 887320527 /nfs/dbraw/zinc/32/05/27/887320527.db2.gz VZLXTQAPIMVLJX-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366930273 887348612 /nfs/dbraw/zinc/34/86/12/887348612.db2.gz HZGQIUATJADKSO-LBPRGKRZSA-N 2 2 282.344 -1.001 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366952734 887352556 /nfs/dbraw/zinc/35/25/56/887352556.db2.gz VVOYSMVEYPIEIX-ZYHUDNBSSA-N 2 2 271.361 -1.254 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366952734 887352569 /nfs/dbraw/zinc/35/25/69/887352569.db2.gz VVOYSMVEYPIEIX-ZYHUDNBSSA-N 2 2 271.361 -1.254 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366952732 887353362 /nfs/dbraw/zinc/35/33/62/887353362.db2.gz VVOYSMVEYPIEIX-JQWIXIFHSA-N 2 2 271.361 -1.254 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366952732 887353371 /nfs/dbraw/zinc/35/33/71/887353371.db2.gz VVOYSMVEYPIEIX-JQWIXIFHSA-N 2 2 271.361 -1.254 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001367021024 887362594 /nfs/dbraw/zinc/36/25/94/887362594.db2.gz YOZSZPJMVZBNPO-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001367021024 887362605 /nfs/dbraw/zinc/36/26/05/887362605.db2.gz YOZSZPJMVZBNPO-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367021024 887362619 /nfs/dbraw/zinc/36/26/19/887362619.db2.gz YOZSZPJMVZBNPO-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367021024 887362635 /nfs/dbraw/zinc/36/26/35/887362635.db2.gz YOZSZPJMVZBNPO-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001367597857 887407339 /nfs/dbraw/zinc/40/73/39/887407339.db2.gz GKFLYISBLCDLEU-VHSXEESVSA-N 2 2 297.359 -1.707 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001367622138 887412156 /nfs/dbraw/zinc/41/21/56/887412156.db2.gz GPKMHWHRBIKJRI-NSHDSACASA-N 2 2 294.315 -1.159 20 0 CAADLP O=C(C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)NC1CC1 ZINC001367616093 887412667 /nfs/dbraw/zinc/41/26/67/887412667.db2.gz MDGLBQSWUHYKDG-JTQLQIEISA-N 2 2 295.343 -1.703 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001368445807 887486751 /nfs/dbraw/zinc/48/67/51/887486751.db2.gz ABSWVBRYFSQLOG-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001368445807 887486755 /nfs/dbraw/zinc/48/67/55/887486755.db2.gz ABSWVBRYFSQLOG-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001368402268 887487020 /nfs/dbraw/zinc/48/70/20/887487020.db2.gz XDVXUIFLOYWWIH-SNVBAGLBSA-N 2 2 295.343 -1.749 20 0 CAADLP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001369150756 887523060 /nfs/dbraw/zinc/52/30/60/887523060.db2.gz VEVPOCFDCPONLR-CNDDSTCGSA-N 2 2 291.355 -1.077 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001369150756 887523068 /nfs/dbraw/zinc/52/30/68/887523068.db2.gz VEVPOCFDCPONLR-CNDDSTCGSA-N 2 2 291.355 -1.077 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001369318061 887538623 /nfs/dbraw/zinc/53/86/23/887538623.db2.gz CPEZKYBYAMTOSJ-NWDGAFQWSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001369318061 887538626 /nfs/dbraw/zinc/53/86/26/887538626.db2.gz CPEZKYBYAMTOSJ-NWDGAFQWSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001369318063 887538650 /nfs/dbraw/zinc/53/86/50/887538650.db2.gz CPEZKYBYAMTOSJ-RYUDHWBXSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001369318063 887538652 /nfs/dbraw/zinc/53/86/52/887538652.db2.gz CPEZKYBYAMTOSJ-RYUDHWBXSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001369318065 887538844 /nfs/dbraw/zinc/53/88/44/887538844.db2.gz CPEZKYBYAMTOSJ-VXGBXAGGSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001369318065 887538851 /nfs/dbraw/zinc/53/88/51/887538851.db2.gz CPEZKYBYAMTOSJ-VXGBXAGGSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369348006 887550636 /nfs/dbraw/zinc/55/06/36/887550636.db2.gz MALJRQGATURZJM-SNVBAGLBSA-N 2 2 284.364 -1.667 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001369358778 887552576 /nfs/dbraw/zinc/55/25/76/887552576.db2.gz JBDBAKYRGZXCJT-LBPRGKRZSA-N 2 2 292.343 -1.084 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369355564 887552824 /nfs/dbraw/zinc/55/28/24/887552824.db2.gz QTARMNGEJBSBLQ-WDEREUQCSA-N 2 2 286.376 -1.717 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369355564 887552836 /nfs/dbraw/zinc/55/28/36/887552836.db2.gz QTARMNGEJBSBLQ-WDEREUQCSA-N 2 2 286.376 -1.717 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001369358777 887553817 /nfs/dbraw/zinc/55/38/17/887553817.db2.gz JBDBAKYRGZXCJT-GFCCVEGCSA-N 2 2 292.343 -1.084 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369355563 887554165 /nfs/dbraw/zinc/55/41/65/887554165.db2.gz QTARMNGEJBSBLQ-GHMZBOCLSA-N 2 2 286.376 -1.717 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369355563 887554177 /nfs/dbraw/zinc/55/41/77/887554177.db2.gz QTARMNGEJBSBLQ-GHMZBOCLSA-N 2 2 286.376 -1.717 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369374364 887563045 /nfs/dbraw/zinc/56/30/45/887563045.db2.gz MRUCEDCBAHHVBI-LBPRGKRZSA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369374364 887563053 /nfs/dbraw/zinc/56/30/53/887563053.db2.gz MRUCEDCBAHHVBI-LBPRGKRZSA-N 2 2 298.391 -1.278 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369468529 887572431 /nfs/dbraw/zinc/57/24/31/887572431.db2.gz CTMHCFZQKDOYSF-MWLCHTKSSA-N 2 2 297.359 -1.504 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369468531 887573457 /nfs/dbraw/zinc/57/34/57/887573457.db2.gz CTMHCFZQKDOYSF-ONGXEEELSA-N 2 2 297.359 -1.504 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369484048 887576874 /nfs/dbraw/zinc/57/68/74/887576874.db2.gz OJYAEQXPLZARLL-UWVGGRQHSA-N 2 2 297.359 -1.504 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369477139 887577911 /nfs/dbraw/zinc/57/79/11/887577911.db2.gz DTUKTRBXIRFRGQ-LLVKDONJSA-N 2 2 297.359 -1.883 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369484043 887578108 /nfs/dbraw/zinc/57/81/08/887578108.db2.gz OJYAEQXPLZARLL-NXEZZACHSA-N 2 2 297.359 -1.504 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001369485590 887579052 /nfs/dbraw/zinc/57/90/52/887579052.db2.gz DOQUVSHXRVDBDD-WDEREUQCSA-N 2 2 297.359 -1.444 20 0 CAADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001372976375 887721541 /nfs/dbraw/zinc/72/15/41/887721541.db2.gz DCDUQJXRBOUGOI-MRVPVSSYSA-N 2 2 296.331 -1.416 20 0 CAADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001373550451 887749780 /nfs/dbraw/zinc/74/97/80/887749780.db2.gz PTMSNKZSZDPRER-JTQLQIEISA-N 2 2 299.375 -1.431 20 0 CAADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001373550453 887750393 /nfs/dbraw/zinc/75/03/93/887750393.db2.gz PTMSNKZSZDPRER-SNVBAGLBSA-N 2 2 299.375 -1.431 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373551955 887751794 /nfs/dbraw/zinc/75/17/94/887751794.db2.gz HZHUHNMPIAIRGM-SNVBAGLBSA-N 2 2 297.359 -1.819 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373551955 887751804 /nfs/dbraw/zinc/75/18/04/887751804.db2.gz HZHUHNMPIAIRGM-SNVBAGLBSA-N 2 2 297.359 -1.819 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373551954 887753422 /nfs/dbraw/zinc/75/34/22/887753422.db2.gz HZHUHNMPIAIRGM-JTQLQIEISA-N 2 2 297.359 -1.819 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001373551954 887753437 /nfs/dbraw/zinc/75/34/37/887753437.db2.gz HZHUHNMPIAIRGM-JTQLQIEISA-N 2 2 297.359 -1.819 20 0 CAADLP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001374480204 887786658 /nfs/dbraw/zinc/78/66/58/887786658.db2.gz QRPBKNPIFZYYPE-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001374480204 887786671 /nfs/dbraw/zinc/78/66/71/887786671.db2.gz QRPBKNPIFZYYPE-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374480204 887786679 /nfs/dbraw/zinc/78/66/79/887786679.db2.gz QRPBKNPIFZYYPE-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374480204 887786692 /nfs/dbraw/zinc/78/66/92/887786692.db2.gz QRPBKNPIFZYYPE-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)no1 ZINC001374623052 887815572 /nfs/dbraw/zinc/81/55/72/887815572.db2.gz IFUWIBTXRGASBJ-MRVPVSSYSA-N 2 2 299.331 -2.098 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001374633286 887820910 /nfs/dbraw/zinc/82/09/10/887820910.db2.gz MDBNPJDDGANUGA-WDEREUQCSA-N 2 2 284.360 -1.200 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001374663235 887826374 /nfs/dbraw/zinc/82/63/74/887826374.db2.gz YRPPAVJCHUFVLQ-DTWKUNHWSA-N 2 2 281.316 -2.093 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374662895 887827570 /nfs/dbraw/zinc/82/75/70/887827570.db2.gz XRGBVHJCBHNKQU-NXEZZACHSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001374663232 887828695 /nfs/dbraw/zinc/82/86/95/887828695.db2.gz YRPPAVJCHUFVLQ-BDAKNGLRSA-N 2 2 281.316 -2.093 20 0 CAADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001374678713 887831468 /nfs/dbraw/zinc/83/14/68/887831468.db2.gz UQFXPSGHQRXLJF-WDEREUQCSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001374678713 887831476 /nfs/dbraw/zinc/83/14/76/887831476.db2.gz UQFXPSGHQRXLJF-WDEREUQCSA-N 2 2 297.359 -1.104 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001374676740 887833751 /nfs/dbraw/zinc/83/37/51/887833751.db2.gz ISCRCLDLJCELGY-UWVGGRQHSA-N 2 2 297.359 -1.538 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374744281 887841366 /nfs/dbraw/zinc/84/13/66/887841366.db2.gz IXUITXYDSVOVHU-PWSUYJOCSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374744281 887841368 /nfs/dbraw/zinc/84/13/68/887841368.db2.gz IXUITXYDSVOVHU-PWSUYJOCSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[NH+]1CCCC1 ZINC001374846601 887847556 /nfs/dbraw/zinc/84/75/56/887847556.db2.gz IWNMPVJSNPPMEH-SNVBAGLBSA-N 2 2 296.375 -1.202 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374871432 887847929 /nfs/dbraw/zinc/84/79/29/887847929.db2.gz IXUITXYDSVOVHU-CMPLNLGQSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374871432 887847936 /nfs/dbraw/zinc/84/79/36/887847936.db2.gz IXUITXYDSVOVHU-CMPLNLGQSA-N 2 2 298.387 -1.310 20 0 CAADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001375545320 887881647 /nfs/dbraw/zinc/88/16/47/887881647.db2.gz UHFQUPKGQLVPTC-JTQLQIEISA-N 2 2 293.375 -1.100 20 0 CAADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001375545320 887881655 /nfs/dbraw/zinc/88/16/55/887881655.db2.gz UHFQUPKGQLVPTC-JTQLQIEISA-N 2 2 293.375 -1.100 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001376103056 887903571 /nfs/dbraw/zinc/90/35/71/887903571.db2.gz HMOXMUDQQGZQJH-CYBMUJFWSA-N 2 2 295.387 -1.002 20 0 CAADLP C[C@H](O)C[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001376103063 887903612 /nfs/dbraw/zinc/90/36/12/887903612.db2.gz HMOXMUDQQGZQJH-ZDUSSCGKSA-N 2 2 295.387 -1.002 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376141482 887908840 /nfs/dbraw/zinc/90/88/40/887908840.db2.gz JONSDJDYCKBYOH-LLVKDONJSA-N 2 2 271.361 -1.374 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376141482 887908839 /nfs/dbraw/zinc/90/88/39/887908839.db2.gz JONSDJDYCKBYOH-LLVKDONJSA-N 2 2 271.361 -1.374 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376266976 887918320 /nfs/dbraw/zinc/91/83/20/887918320.db2.gz GBDNUIMEEGJTCN-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376266976 887918324 /nfs/dbraw/zinc/91/83/24/887918324.db2.gz GBDNUIMEEGJTCN-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP O=C(C[NH+]1CCCC1)NCC1(O)C[NH+](CCCO)C1 ZINC001376298626 887922128 /nfs/dbraw/zinc/92/21/28/887922128.db2.gz RQJYRWISJOYJFD-UHFFFAOYSA-N 2 2 271.361 -1.373 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001376385437 887924598 /nfs/dbraw/zinc/92/45/98/887924598.db2.gz AWUNKZIOMPIEJO-MGCOHNPYSA-N 2 2 281.364 -1.101 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001376523678 887938177 /nfs/dbraw/zinc/93/81/77/887938177.db2.gz SZGVBBGFYVFYNP-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001376523678 887938180 /nfs/dbraw/zinc/93/81/80/887938180.db2.gz SZGVBBGFYVFYNP-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699826 887952510 /nfs/dbraw/zinc/95/25/10/887952510.db2.gz IZKOQNQCCUPMKX-UWVGGRQHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001376699826 887952516 /nfs/dbraw/zinc/95/25/16/887952516.db2.gz IZKOQNQCCUPMKX-UWVGGRQHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001376887674 887966629 /nfs/dbraw/zinc/96/66/29/887966629.db2.gz QXYLNADHJHUJMG-DTWKUNHWSA-N 2 2 296.331 -1.439 20 0 CAADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376922295 887971124 /nfs/dbraw/zinc/97/11/24/887971124.db2.gz RKGBSZWCWLUTTM-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376922295 887971127 /nfs/dbraw/zinc/97/11/27/887971127.db2.gz RKGBSZWCWLUTTM-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376922295 887971128 /nfs/dbraw/zinc/97/11/28/887971128.db2.gz RKGBSZWCWLUTTM-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CN(CCC[NH+](C)CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376922295 887971131 /nfs/dbraw/zinc/97/11/31/887971131.db2.gz RKGBSZWCWLUTTM-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001377137202 887976497 /nfs/dbraw/zinc/97/64/97/887976497.db2.gz DKJDLDOKAOLOSP-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001377137202 887976500 /nfs/dbraw/zinc/97/65/00/887976500.db2.gz DKJDLDOKAOLOSP-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001377137202 887976503 /nfs/dbraw/zinc/97/65/03/887976503.db2.gz DKJDLDOKAOLOSP-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001377137202 887976507 /nfs/dbraw/zinc/97/65/07/887976507.db2.gz DKJDLDOKAOLOSP-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001377222689 887981835 /nfs/dbraw/zinc/98/18/35/887981835.db2.gz NLSZWDOFEIICLZ-JTQLQIEISA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)NC(N)=O)C1 ZINC001377222689 887981847 /nfs/dbraw/zinc/98/18/47/887981847.db2.gz NLSZWDOFEIICLZ-JTQLQIEISA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001377222689 887981854 /nfs/dbraw/zinc/98/18/54/887981854.db2.gz NLSZWDOFEIICLZ-JTQLQIEISA-N 2 2 299.375 -1.429 20 0 CAADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001377222689 887981864 /nfs/dbraw/zinc/98/18/64/887981864.db2.gz NLSZWDOFEIICLZ-JTQLQIEISA-N 2 2 299.375 -1.429 20 0 CAADLP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001377273483 887986564 /nfs/dbraw/zinc/98/65/64/887986564.db2.gz GBDRDSXAEIEAFH-NSHDSACASA-N 2 2 270.333 -1.062 20 0 CAADLP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001377273483 887986569 /nfs/dbraw/zinc/98/65/69/887986569.db2.gz GBDRDSXAEIEAFH-NSHDSACASA-N 2 2 270.333 -1.062 20 0 CAADLP NC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377357734 887994455 /nfs/dbraw/zinc/99/44/55/887994455.db2.gz XDYSLERMSPHURQ-UHFFFAOYSA-N 2 2 295.343 -1.619 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001377846035 888011858 /nfs/dbraw/zinc/01/18/58/888011858.db2.gz BYRCXFKYRRMPNT-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001377846035 888011866 /nfs/dbraw/zinc/01/18/66/888011866.db2.gz BYRCXFKYRRMPNT-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001377932068 888021913 /nfs/dbraw/zinc/02/19/13/888021913.db2.gz JKGBQYASRLXQMN-GFCCVEGCSA-N 2 2 283.372 -1.110 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001377996482 888026692 /nfs/dbraw/zinc/02/66/92/888026692.db2.gz NJLSUYSKDNPIKF-UHFFFAOYSA-N 2 2 298.387 -1.497 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001378082919 888035007 /nfs/dbraw/zinc/03/50/07/888035007.db2.gz LFUKJJUAYLRFMX-ZJUUUORDSA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001378082919 888035018 /nfs/dbraw/zinc/03/50/18/888035018.db2.gz LFUKJJUAYLRFMX-ZJUUUORDSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001378082919 888035029 /nfs/dbraw/zinc/03/50/29/888035029.db2.gz LFUKJJUAYLRFMX-ZJUUUORDSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001378082919 888035038 /nfs/dbraw/zinc/03/50/38/888035038.db2.gz LFUKJJUAYLRFMX-ZJUUUORDSA-N 2 2 297.359 -1.677 20 0 CAADLP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378558035 888060913 /nfs/dbraw/zinc/06/09/13/888060913.db2.gz LWNLTCFVOPAMGP-SECBINFHSA-N 2 2 299.375 -1.431 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378756946 888071855 /nfs/dbraw/zinc/07/18/55/888071855.db2.gz QZVQAKOZAFIZOH-VHSXEESVSA-N 2 2 272.349 -1.761 20 0 CAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001379183208 888098075 /nfs/dbraw/zinc/09/80/75/888098075.db2.gz GRHKXXGKWUSIOU-RYUDHWBXSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001379183208 888098087 /nfs/dbraw/zinc/09/80/87/888098087.db2.gz GRHKXXGKWUSIOU-RYUDHWBXSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001379191961 888100366 /nfs/dbraw/zinc/10/03/66/888100366.db2.gz UWWOWIRYSAHRHP-NXEZZACHSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001379191961 888100374 /nfs/dbraw/zinc/10/03/74/888100374.db2.gz UWWOWIRYSAHRHP-NXEZZACHSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379262514 888113634 /nfs/dbraw/zinc/11/36/34/888113634.db2.gz YREUKPHVDAFYHH-QWRGUYRKSA-N 2 2 295.343 -2.082 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379262508 888115469 /nfs/dbraw/zinc/11/54/69/888115469.db2.gz YREUKPHVDAFYHH-GHMZBOCLSA-N 2 2 295.343 -2.082 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001379256790 888115956 /nfs/dbraw/zinc/11/59/56/888115956.db2.gz IJAHGSHSZAXTPC-SNVBAGLBSA-N 2 2 283.332 -2.225 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379291705 888121980 /nfs/dbraw/zinc/12/19/80/888121980.db2.gz MDVYWQNQNICVCL-VHSXEESVSA-N 2 2 281.316 -2.162 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379291704 888122038 /nfs/dbraw/zinc/12/20/38/888122038.db2.gz MDVYWQNQNICVCL-UWVGGRQHSA-N 2 2 281.316 -2.162 20 0 CAADLP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001379290590 888122161 /nfs/dbraw/zinc/12/21/61/888122161.db2.gz KAWXKGLXFFVXEU-NSHDSACASA-N 2 2 293.331 -1.722 20 0 CAADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001379507156 888155770 /nfs/dbraw/zinc/15/57/70/888155770.db2.gz UOCQOKWVMBMHJI-MNOVXSKESA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001379507159 888156322 /nfs/dbraw/zinc/15/63/22/888156322.db2.gz UOCQOKWVMBMHJI-WDEREUQCSA-N 2 2 298.391 -1.278 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984713 888186678 /nfs/dbraw/zinc/18/66/78/888186678.db2.gz OFBJJBUIAMIEJQ-GHMZBOCLSA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984713 888186686 /nfs/dbraw/zinc/18/66/86/888186686.db2.gz OFBJJBUIAMIEJQ-GHMZBOCLSA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984719 888188218 /nfs/dbraw/zinc/18/82/18/888188218.db2.gz OFBJJBUIAMIEJQ-WDEREUQCSA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984719 888188226 /nfs/dbraw/zinc/18/82/26/888188226.db2.gz OFBJJBUIAMIEJQ-WDEREUQCSA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380002780 888188713 /nfs/dbraw/zinc/18/87/13/888188713.db2.gz AZMKCLFYTXCCQQ-ZJUUUORDSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380002780 888188721 /nfs/dbraw/zinc/18/87/21/888188721.db2.gz AZMKCLFYTXCCQQ-ZJUUUORDSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380642525 888223352 /nfs/dbraw/zinc/22/33/52/888223352.db2.gz OBUOEUQMKKRSLT-QWRGUYRKSA-N 2 2 271.361 -1.518 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380642525 888223363 /nfs/dbraw/zinc/22/33/63/888223363.db2.gz OBUOEUQMKKRSLT-QWRGUYRKSA-N 2 2 271.361 -1.518 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382177451 888285240 /nfs/dbraw/zinc/28/52/40/888285240.db2.gz BMANLILKLNJQFD-ZJUUUORDSA-N 2 2 272.349 -2.107 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382177451 888285261 /nfs/dbraw/zinc/28/52/61/888285261.db2.gz BMANLILKLNJQFD-ZJUUUORDSA-N 2 2 272.349 -2.107 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382187673 888293994 /nfs/dbraw/zinc/29/39/94/888293994.db2.gz UCWJKWNNTJUKBV-GHMZBOCLSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382187673 888294003 /nfs/dbraw/zinc/29/40/03/888294003.db2.gz UCWJKWNNTJUKBV-GHMZBOCLSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382187688 888296680 /nfs/dbraw/zinc/29/66/80/888296680.db2.gz UCWJKWNNTJUKBV-QWRGUYRKSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382187688 888296700 /nfs/dbraw/zinc/29/67/00/888296700.db2.gz UCWJKWNNTJUKBV-QWRGUYRKSA-N 2 2 296.375 -1.524 20 0 CAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(N)=O)c[nH+]1 ZINC001382205198 888300920 /nfs/dbraw/zinc/30/09/20/888300920.db2.gz BZFIUCNCGSFXCK-SNVBAGLBSA-N 2 2 297.359 -1.521 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001382212290 888303835 /nfs/dbraw/zinc/30/38/35/888303835.db2.gz OIWSMUHZODXOKJ-ZJUUUORDSA-N 2 2 295.343 -2.003 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001382239192 888308506 /nfs/dbraw/zinc/30/85/06/888308506.db2.gz TXEMHXNFVXJGIE-NXEZZACHSA-N 2 2 299.379 -1.711 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001382239202 888310629 /nfs/dbraw/zinc/31/06/29/888310629.db2.gz TXEMHXNFVXJGIE-ZJUUUORDSA-N 2 2 299.379 -1.711 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382268047 888318345 /nfs/dbraw/zinc/31/83/45/888318345.db2.gz SEHHPIVLAWVFOY-SECBINFHSA-N 2 2 283.332 -2.225 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382266902 888319318 /nfs/dbraw/zinc/31/93/18/888319318.db2.gz NDUNUMVGAMPSPI-DTWKUNHWSA-N 2 2 283.332 -2.097 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382266904 888320440 /nfs/dbraw/zinc/32/04/40/888320440.db2.gz NDUNUMVGAMPSPI-RKDXNWHRSA-N 2 2 283.332 -2.097 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382271725 888322423 /nfs/dbraw/zinc/32/24/23/888322423.db2.gz FCDARHDYYCVYKV-UWVGGRQHSA-N 2 2 297.359 -1.538 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382271718 888322599 /nfs/dbraw/zinc/32/25/99/888322599.db2.gz FCDARHDYYCVYKV-NXEZZACHSA-N 2 2 297.359 -1.538 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382272922 888325631 /nfs/dbraw/zinc/32/56/31/888325631.db2.gz HKEQEHTYBFDXHQ-ZJUUUORDSA-N 2 2 297.359 -1.707 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382287964 888327961 /nfs/dbraw/zinc/32/79/61/888327961.db2.gz PEKRMBMBAPZQFV-NSHDSACASA-N 2 2 295.343 -1.818 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001382287962 888328265 /nfs/dbraw/zinc/32/82/65/888328265.db2.gz PEKRMBMBAPZQFV-LLVKDONJSA-N 2 2 295.343 -1.818 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382419520 888352729 /nfs/dbraw/zinc/35/27/29/888352729.db2.gz CZNDFPGRAGXEDE-NSHDSACASA-N 2 2 297.359 -1.551 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001382415359 888353657 /nfs/dbraw/zinc/35/36/57/888353657.db2.gz VGQPPGUSOZLKHH-GHMZBOCLSA-N 2 2 297.359 -1.444 20 0 CAADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389485645 888549114 /nfs/dbraw/zinc/54/91/14/888549114.db2.gz JHZISHGQHVIMMU-UWVGGRQHSA-N 2 2 299.375 -1.288 20 0 CAADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389485645 888549123 /nfs/dbraw/zinc/54/91/23/888549123.db2.gz JHZISHGQHVIMMU-UWVGGRQHSA-N 2 2 299.375 -1.288 20 0 CAADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389507537 888553727 /nfs/dbraw/zinc/55/37/27/888553727.db2.gz JHZISHGQHVIMMU-NXEZZACHSA-N 2 2 299.375 -1.288 20 0 CAADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389507537 888553737 /nfs/dbraw/zinc/55/37/37/888553737.db2.gz JHZISHGQHVIMMU-NXEZZACHSA-N 2 2 299.375 -1.288 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001389515726 888554841 /nfs/dbraw/zinc/55/48/41/888554841.db2.gz UKDVKKVIFKTQJK-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001389515726 888554857 /nfs/dbraw/zinc/55/48/57/888554857.db2.gz UKDVKKVIFKTQJK-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389515726 888554863 /nfs/dbraw/zinc/55/48/63/888554863.db2.gz UKDVKKVIFKTQJK-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389515726 888554881 /nfs/dbraw/zinc/55/48/81/888554881.db2.gz UKDVKKVIFKTQJK-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389507551 888555003 /nfs/dbraw/zinc/55/50/03/888555003.db2.gz JHZISHGQHVIMMU-VHSXEESVSA-N 2 2 299.375 -1.288 20 0 CAADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389507551 888555017 /nfs/dbraw/zinc/55/50/17/888555017.db2.gz JHZISHGQHVIMMU-VHSXEESVSA-N 2 2 299.375 -1.288 20 0 CAADLP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(N)=O ZINC001391121297 888614953 /nfs/dbraw/zinc/61/49/53/888614953.db2.gz WTOLTFBBOITOMU-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(N)=O ZINC001391121297 888614963 /nfs/dbraw/zinc/61/49/63/888614963.db2.gz WTOLTFBBOITOMU-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001391121297 888614970 /nfs/dbraw/zinc/61/49/70/888614970.db2.gz WTOLTFBBOITOMU-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001391121297 888614978 /nfs/dbraw/zinc/61/49/78/888614978.db2.gz WTOLTFBBOITOMU-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP COC[C@H](O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001391511652 888634406 /nfs/dbraw/zinc/63/44/06/888634406.db2.gz AZWYUDTVCROWSU-GFCCVEGCSA-N 2 2 282.344 -1.062 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001391517294 888636855 /nfs/dbraw/zinc/63/68/55/888636855.db2.gz VJCILKMOHDZFPM-UHFFFAOYSA-N 2 2 279.344 -1.014 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001392360587 888680152 /nfs/dbraw/zinc/68/01/52/888680152.db2.gz FHDIFPMSYXDXMQ-WDEREUQCSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001392360587 888680162 /nfs/dbraw/zinc/68/01/62/888680162.db2.gz FHDIFPMSYXDXMQ-WDEREUQCSA-N 2 2 296.375 -1.226 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001392381561 888690542 /nfs/dbraw/zinc/69/05/42/888690542.db2.gz JTSWLDSOMSVUDF-IWSPIJDZSA-N 2 2 281.316 -1.935 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001392386653 888691273 /nfs/dbraw/zinc/69/12/73/888691273.db2.gz CYPOPRJKGRPZBB-GHMZBOCLSA-N 2 2 283.332 -1.270 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001392386653 888691284 /nfs/dbraw/zinc/69/12/84/888691284.db2.gz CYPOPRJKGRPZBB-GHMZBOCLSA-N 2 2 283.332 -1.270 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001392414276 888700636 /nfs/dbraw/zinc/70/06/36/888700636.db2.gz AEOKATGMWMNDPU-JTQLQIEISA-N 2 2 297.359 -1.584 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392409916 888701130 /nfs/dbraw/zinc/70/11/30/888701130.db2.gz NMTBTWKMDSJPGZ-IUCAKERBSA-N 2 2 283.332 -1.847 20 0 CAADLP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001392429169 888705060 /nfs/dbraw/zinc/70/50/60/888705060.db2.gz PDUXFMUWUVTRBX-NSHDSACASA-N 2 2 292.343 -1.117 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001392425629 888705798 /nfs/dbraw/zinc/70/57/98/888705798.db2.gz YPJNIXRKQYWTQY-WPRPVWTQSA-N 2 2 270.333 -1.292 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001392421949 888706038 /nfs/dbraw/zinc/70/60/38/888706038.db2.gz MRXZYSGWNXOPCY-CMPLNLGQSA-N 2 2 284.360 -1.200 20 0 CAADLP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001392434174 888706949 /nfs/dbraw/zinc/70/69/49/888706949.db2.gz WEZHDXYJSMEOBG-GFCCVEGCSA-N 2 2 292.343 -1.117 20 0 CAADLP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392426690 888707635 /nfs/dbraw/zinc/70/76/35/888707635.db2.gz LBVYUKIPLBEFOP-QWRGUYRKSA-N 2 2 295.343 -1.820 20 0 CAADLP O=C(C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)NC1CC1 ZINC001392430426 888707835 /nfs/dbraw/zinc/70/78/35/888707835.db2.gz RBGPLKBEQUUYIK-NSHDSACASA-N 2 2 295.343 -1.772 20 0 CAADLP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392463793 888709965 /nfs/dbraw/zinc/70/99/65/888709965.db2.gz BWIRBMRMMDHGHC-MNOVXSKESA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392463793 888709983 /nfs/dbraw/zinc/70/99/83/888709983.db2.gz BWIRBMRMMDHGHC-MNOVXSKESA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001392506561 888715915 /nfs/dbraw/zinc/71/59/15/888715915.db2.gz VRMZXDLXOYRIOY-SECBINFHSA-N 2 2 284.364 -1.346 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001392759556 888736942 /nfs/dbraw/zinc/73/69/42/888736942.db2.gz HMUJLYVURLDXFY-NWDGAFQWSA-N 2 2 298.387 -1.453 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001392759556 888736945 /nfs/dbraw/zinc/73/69/45/888736945.db2.gz HMUJLYVURLDXFY-NWDGAFQWSA-N 2 2 298.387 -1.453 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001392759561 888738157 /nfs/dbraw/zinc/73/81/57/888738157.db2.gz HMUJLYVURLDXFY-VXGBXAGGSA-N 2 2 298.387 -1.453 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001392759561 888738166 /nfs/dbraw/zinc/73/81/66/888738166.db2.gz HMUJLYVURLDXFY-VXGBXAGGSA-N 2 2 298.387 -1.453 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393289980 888772627 /nfs/dbraw/zinc/77/26/27/888772627.db2.gz HHJXGFNMAQPEIN-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393289980 888772639 /nfs/dbraw/zinc/77/26/39/888772639.db2.gz HHJXGFNMAQPEIN-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP CC[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[NH+](C)C ZINC001393362605 888781952 /nfs/dbraw/zinc/78/19/52/888781952.db2.gz VMDJMTSFJPTCFW-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393357663 888782857 /nfs/dbraw/zinc/78/28/57/888782857.db2.gz FLOIUXVZMQMAGH-JTQLQIEISA-N 2 2 282.344 -1.265 20 0 CAADLP CC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001393350554 888782894 /nfs/dbraw/zinc/78/28/94/888782894.db2.gz YLDVHUDMIDSFDR-UHFFFAOYSA-N 2 2 271.361 -1.109 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001393352355 888783193 /nfs/dbraw/zinc/78/31/93/888783193.db2.gz BZKVQUUXSKWSKS-LLVKDONJSA-N 2 2 271.361 -1.517 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001393352355 888783210 /nfs/dbraw/zinc/78/32/10/888783210.db2.gz BZKVQUUXSKWSKS-LLVKDONJSA-N 2 2 271.361 -1.517 20 0 CAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001393483799 888789808 /nfs/dbraw/zinc/78/98/08/888789808.db2.gz UDETWKXOCRXIRL-JTQLQIEISA-N 2 2 283.332 -1.833 20 0 CAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001393483800 888790304 /nfs/dbraw/zinc/79/03/04/888790304.db2.gz UDETWKXOCRXIRL-SNVBAGLBSA-N 2 2 283.332 -1.833 20 0 CAADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394048086 888813024 /nfs/dbraw/zinc/81/30/24/888813024.db2.gz OXQNULXEYODITP-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394048086 888813035 /nfs/dbraw/zinc/81/30/35/888813035.db2.gz OXQNULXEYODITP-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394048086 888813046 /nfs/dbraw/zinc/81/30/46/888813046.db2.gz OXQNULXEYODITP-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394048086 888813054 /nfs/dbraw/zinc/81/30/54/888813054.db2.gz OXQNULXEYODITP-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP Cc1nonc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001394613361 888861838 /nfs/dbraw/zinc/86/18/38/888861838.db2.gz AHPJLTIDLSKYGD-JTQLQIEISA-N 2 2 285.348 -1.104 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001394615086 888861958 /nfs/dbraw/zinc/86/19/58/888861958.db2.gz MLZIJBWJCCHFDR-QWRGUYRKSA-N 2 2 297.359 -1.526 20 0 CAADLP COc1cc[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CCO ZINC001394615527 888862176 /nfs/dbraw/zinc/86/21/76/888862176.db2.gz KBXHCMFEZKSNKX-LLVKDONJSA-N 2 2 283.328 -1.308 20 0 CAADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCO)n1cc[nH+]c1 ZINC001394626581 888863884 /nfs/dbraw/zinc/86/38/84/888863884.db2.gz AQZQVYNNFTVEEB-WDEREUQCSA-N 2 2 270.333 -1.107 20 0 CAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CCO)c[nH+]1 ZINC001394622335 888866884 /nfs/dbraw/zinc/86/68/84/888866884.db2.gz UMPWICPHBAXQHD-NSHDSACASA-N 2 2 284.360 -1.014 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCN1CC[NH+](CCCO)CC1 ZINC001398265089 888990928 /nfs/dbraw/zinc/99/09/28/888990928.db2.gz ACDFJDNRRZASBL-UHFFFAOYSA-N 2 2 295.387 -1.001 20 0 CAADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001399096498 889032270 /nfs/dbraw/zinc/03/22/70/889032270.db2.gz CACLRWWKMNUHBU-JTQLQIEISA-N 2 2 296.375 -1.202 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001399572024 889052458 /nfs/dbraw/zinc/05/24/58/889052458.db2.gz UJVFEDPRVRQGHK-SECBINFHSA-N 2 2 285.348 -1.677 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001399572024 889052467 /nfs/dbraw/zinc/05/24/67/889052467.db2.gz UJVFEDPRVRQGHK-SECBINFHSA-N 2 2 285.348 -1.677 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001399572024 889052480 /nfs/dbraw/zinc/05/24/80/889052480.db2.gz UJVFEDPRVRQGHK-SECBINFHSA-N 2 2 285.348 -1.677 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001399572024 889052489 /nfs/dbraw/zinc/05/24/89/889052489.db2.gz UJVFEDPRVRQGHK-SECBINFHSA-N 2 2 285.348 -1.677 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001400531050 889110251 /nfs/dbraw/zinc/11/02/51/889110251.db2.gz SKAHUMMQAASDQU-LLVKDONJSA-N 2 2 298.387 -1.370 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001401556861 889156500 /nfs/dbraw/zinc/15/65/00/889156500.db2.gz PMOSBWBUFNANPS-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001401564886 889157295 /nfs/dbraw/zinc/15/72/95/889157295.db2.gz CBQLTVUWNGIOCA-VIFPVBQESA-N 2 2 283.332 -1.845 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001401568282 889160209 /nfs/dbraw/zinc/16/02/09/889160209.db2.gz ZOMLVSPTMSPZJU-ONGXEEELSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001401568282 889160221 /nfs/dbraw/zinc/16/02/21/889160221.db2.gz ZOMLVSPTMSPZJU-ONGXEEELSA-N 2 2 270.333 -1.210 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001401566683 889160732 /nfs/dbraw/zinc/16/07/32/889160732.db2.gz FSMAPAPVWYMBPI-VXGBXAGGSA-N 2 2 282.344 -1.014 20 0 CAADLP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001401572807 889160886 /nfs/dbraw/zinc/16/08/86/889160886.db2.gz KDLRBEPVDUHYNL-JTQLQIEISA-N 2 2 293.331 -1.652 20 0 CAADLP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001401572925 889160977 /nfs/dbraw/zinc/16/09/77/889160977.db2.gz SALIXPZIICMBFC-NSHDSACASA-N 2 2 296.375 -1.522 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001401568338 889161345 /nfs/dbraw/zinc/16/13/45/889161345.db2.gz HFAVSVKZOYWOBW-UWVGGRQHSA-N 2 2 283.332 -1.916 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001401585163 889165079 /nfs/dbraw/zinc/16/50/79/889165079.db2.gz OPMYCXIMVZONPJ-GHMZBOCLSA-N 2 2 297.359 -1.707 20 0 CAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001401575469 889165899 /nfs/dbraw/zinc/16/58/99/889165899.db2.gz QDJPVMYKVAHDTC-LLVKDONJSA-N 2 2 293.331 -1.722 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401616427 889170924 /nfs/dbraw/zinc/17/09/24/889170924.db2.gz DROJBDSUGIUUNM-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401616427 889170929 /nfs/dbraw/zinc/17/09/29/889170929.db2.gz DROJBDSUGIUUNM-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401718593 889178573 /nfs/dbraw/zinc/17/85/73/889178573.db2.gz QXJPYLVZZYTAOU-GXSJLCMTSA-N 2 2 279.344 -1.055 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827850 889186473 /nfs/dbraw/zinc/18/64/73/889186473.db2.gz BHUSWLINRGHADJ-WDEREUQCSA-N 2 2 284.360 -1.713 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827850 889186485 /nfs/dbraw/zinc/18/64/85/889186485.db2.gz BHUSWLINRGHADJ-WDEREUQCSA-N 2 2 284.360 -1.713 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278876 889216227 /nfs/dbraw/zinc/21/62/27/889216227.db2.gz ABQNPHBDUBDXMY-RISCZKNCSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278876 889216237 /nfs/dbraw/zinc/21/62/37/889216237.db2.gz ABQNPHBDUBDXMY-RISCZKNCSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278804 889216829 /nfs/dbraw/zinc/21/68/29/889216829.db2.gz ABQNPHBDUBDXMY-BXUZGUMPSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278804 889216841 /nfs/dbraw/zinc/21/68/41/889216841.db2.gz ABQNPHBDUBDXMY-BXUZGUMPSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278904 889217035 /nfs/dbraw/zinc/21/70/35/889217035.db2.gz ABQNPHBDUBDXMY-SMDDNHRTSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278904 889217045 /nfs/dbraw/zinc/21/70/45/889217045.db2.gz ABQNPHBDUBDXMY-SMDDNHRTSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278853 889217772 /nfs/dbraw/zinc/21/77/72/889217772.db2.gz ABQNPHBDUBDXMY-FZMZJTMJSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402278853 889217791 /nfs/dbraw/zinc/21/77/91/889217791.db2.gz ABQNPHBDUBDXMY-FZMZJTMJSA-N 2 2 296.371 -1.104 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001402474858 889240545 /nfs/dbraw/zinc/24/05/45/889240545.db2.gz XGWLYBJDJYFDES-ZDUSSCGKSA-N 2 2 286.376 -1.634 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001402474858 889240531 /nfs/dbraw/zinc/24/05/31/889240531.db2.gz XGWLYBJDJYFDES-ZDUSSCGKSA-N 2 2 286.376 -1.634 20 0 CAADLP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CC(N)=O)C1 ZINC001402474857 889241754 /nfs/dbraw/zinc/24/17/54/889241754.db2.gz XGWLYBJDJYFDES-CYBMUJFWSA-N 2 2 286.376 -1.634 20 0 CAADLP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CC(N)=O)C1 ZINC001402474857 889241771 /nfs/dbraw/zinc/24/17/71/889241771.db2.gz XGWLYBJDJYFDES-CYBMUJFWSA-N 2 2 286.376 -1.634 20 0 CAADLP C[C@H]([NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1)C(N)=O ZINC001402604158 889252516 /nfs/dbraw/zinc/25/25/16/889252516.db2.gz PTQKLCJWVDBZEA-UWVGGRQHSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1)C(N)=O ZINC001402604154 889253368 /nfs/dbraw/zinc/25/33/68/889253368.db2.gz PTQKLCJWVDBZEA-NXEZZACHSA-N 2 2 295.343 -1.357 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001402602742 889255248 /nfs/dbraw/zinc/25/52/48/889255248.db2.gz QSNFVTUOQGMZEX-NSHDSACASA-N 2 2 295.343 -1.355 20 0 CAADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1)C(N)=O ZINC001402604160 889255452 /nfs/dbraw/zinc/25/54/52/889255452.db2.gz PTQKLCJWVDBZEA-VHSXEESVSA-N 2 2 295.343 -1.357 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001402602737 889255566 /nfs/dbraw/zinc/25/55/66/889255566.db2.gz QSNFVTUOQGMZEX-LLVKDONJSA-N 2 2 295.343 -1.355 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869381 889265705 /nfs/dbraw/zinc/26/57/05/889265705.db2.gz OXYKEABBROPIDD-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869381 889265716 /nfs/dbraw/zinc/26/57/16/889265716.db2.gz OXYKEABBROPIDD-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873983 889269305 /nfs/dbraw/zinc/26/93/05/889269305.db2.gz VXNXMCGMBQSHBF-QWRGUYRKSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873983 889269311 /nfs/dbraw/zinc/26/93/11/889269311.db2.gz VXNXMCGMBQSHBF-QWRGUYRKSA-N 2 2 296.375 -1.260 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC1(CO)CC[NH+](CCO)CC1 ZINC001402885581 889271658 /nfs/dbraw/zinc/27/16/58/889271658.db2.gz JBXCGSBXZXPKLI-UHFFFAOYSA-N 2 2 282.344 -1.182 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001403128634 889285410 /nfs/dbraw/zinc/28/54/10/889285410.db2.gz DVANECWCESMMRH-MRVPVSSYSA-N 2 2 282.304 -1.828 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001403429285 889303196 /nfs/dbraw/zinc/30/31/96/889303196.db2.gz WNBIRTAGNTVUHH-MNOVXSKESA-N 2 2 295.343 -1.426 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001403639708 889327159 /nfs/dbraw/zinc/32/71/59/889327159.db2.gz BJRVNOXBJWVOQO-NWDGAFQWSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001403639708 889327176 /nfs/dbraw/zinc/32/71/76/889327176.db2.gz BJRVNOXBJWVOQO-NWDGAFQWSA-N 2 2 296.375 -1.524 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403657821 889333823 /nfs/dbraw/zinc/33/38/23/889333823.db2.gz CHXGXOORFDKMDI-GHMZBOCLSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001403658939 889334996 /nfs/dbraw/zinc/33/49/96/889334996.db2.gz CHXGXOORFDKMDI-QWRGUYRKSA-N 2 2 282.344 -1.496 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668910 889341766 /nfs/dbraw/zinc/34/17/66/889341766.db2.gz VLPDRQKIWGLCEQ-RKDXNWHRSA-N 2 2 274.321 -3.131 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668910 889341772 /nfs/dbraw/zinc/34/17/72/889341772.db2.gz VLPDRQKIWGLCEQ-RKDXNWHRSA-N 2 2 274.321 -3.131 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001403746023 889365550 /nfs/dbraw/zinc/36/55/50/889365550.db2.gz MSKCUWATBJLWSU-SNVBAGLBSA-N 2 2 283.332 -1.962 20 0 CAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001403862632 889377930 /nfs/dbraw/zinc/37/79/30/889377930.db2.gz AUDRMPFYGFOQIT-UWVGGRQHSA-N 2 2 295.343 -1.750 20 0 CAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001403862635 889378575 /nfs/dbraw/zinc/37/85/75/889378575.db2.gz AUDRMPFYGFOQIT-VHSXEESVSA-N 2 2 295.343 -1.750 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001403885317 889383263 /nfs/dbraw/zinc/38/32/63/889383263.db2.gz XYKUTEYZHPCCIS-WPRPVWTQSA-N 2 2 283.332 -1.765 20 0 CAADLP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403884140 889384367 /nfs/dbraw/zinc/38/43/67/889384367.db2.gz VWOGEBJFABEZSM-WDEREUQCSA-N 2 2 295.343 -1.750 20 0 CAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403884124 889387269 /nfs/dbraw/zinc/38/72/69/889387269.db2.gz VWOGEBJFABEZSM-GHMZBOCLSA-N 2 2 295.343 -1.750 20 0 CAADLP NC(=O)C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001404270600 889400738 /nfs/dbraw/zinc/40/07/38/889400738.db2.gz TUWIINNIGKNEAL-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP NC(=O)C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001404270600 889400740 /nfs/dbraw/zinc/40/07/40/889400740.db2.gz TUWIINNIGKNEAL-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001404668435 889412739 /nfs/dbraw/zinc/41/27/39/889412739.db2.gz BYRCXFKYRRMPNT-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001404668435 889412746 /nfs/dbraw/zinc/41/27/46/889412746.db2.gz BYRCXFKYRRMPNT-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001406260549 889499332 /nfs/dbraw/zinc/49/93/32/889499332.db2.gz XETXTYJWZOHICE-ZJUUUORDSA-N 2 2 295.343 -2.003 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001406260544 889499493 /nfs/dbraw/zinc/49/94/93/889499493.db2.gz XETXTYJWZOHICE-VHSXEESVSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001406262853 889501126 /nfs/dbraw/zinc/50/11/26/889501126.db2.gz DNMXYQLLRMEUIR-MNOVXSKESA-N 2 2 297.359 -1.353 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001406262860 889504103 /nfs/dbraw/zinc/50/41/03/889504103.db2.gz DNMXYQLLRMEUIR-WDEREUQCSA-N 2 2 297.359 -1.353 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001406278647 889506240 /nfs/dbraw/zinc/50/62/40/889506240.db2.gz UGEIHMQCXDNLPE-MNOVXSKESA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001406278645 889506492 /nfs/dbraw/zinc/50/64/92/889506492.db2.gz UGEIHMQCXDNLPE-GHMZBOCLSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001406278653 889507637 /nfs/dbraw/zinc/50/76/37/889507637.db2.gz UGEIHMQCXDNLPE-WDEREUQCSA-N 2 2 295.343 -1.703 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406784318 889537329 /nfs/dbraw/zinc/53/73/29/889537329.db2.gz OGUCSRQAKVMLGT-LLVKDONJSA-N 2 2 279.344 -1.068 20 0 CAADLP C[N@@H+]1CC[C@H](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001407490662 889578858 /nfs/dbraw/zinc/57/88/58/889578858.db2.gz RFVVRLXTVGRPGJ-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@H+]1CC[C@H](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001407490662 889578869 /nfs/dbraw/zinc/57/88/69/889578869.db2.gz RFVVRLXTVGRPGJ-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001407490671 889579039 /nfs/dbraw/zinc/57/90/39/889579039.db2.gz RFVVRLXTVGRPGJ-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@H+]1CC[C@@H](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001407490671 889579049 /nfs/dbraw/zinc/57/90/49/889579049.db2.gz RFVVRLXTVGRPGJ-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001407881893 889593844 /nfs/dbraw/zinc/59/38/44/889593844.db2.gz XOXIBYNOXAVDKU-VIFPVBQESA-N 2 2 281.316 -1.746 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001408280762 889607082 /nfs/dbraw/zinc/60/70/82/889607082.db2.gz LTHHZNAOGIOLBJ-UHFFFAOYSA-N 2 2 296.371 -1.102 20 0 CAADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001409752227 889644154 /nfs/dbraw/zinc/64/41/54/889644154.db2.gz FYTCEZOOIXQTHW-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001409752227 889644163 /nfs/dbraw/zinc/64/41/63/889644163.db2.gz FYTCEZOOIXQTHW-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP C[N@@H+]1CC[C@H](CC(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001409748618 889644753 /nfs/dbraw/zinc/64/47/53/889644753.db2.gz YYDDVXOOFCEUCP-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@H+]1CC[C@H](CC(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001409748618 889644763 /nfs/dbraw/zinc/64/47/63/889644763.db2.gz YYDDVXOOFCEUCP-GFCCVEGCSA-N 2 2 285.388 -1.127 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001410674219 889698687 /nfs/dbraw/zinc/69/86/87/889698687.db2.gz KAFBHNRAMZNMSO-QWRGUYRKSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001410674222 889699845 /nfs/dbraw/zinc/69/98/45/889699845.db2.gz KAFBHNRAMZNMSO-WDEREUQCSA-N 2 2 282.344 -1.496 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001410686951 889699998 /nfs/dbraw/zinc/69/99/98/889699998.db2.gz WIVVOXCOGAQIED-NXEZZACHSA-N 2 2 272.349 -1.977 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001410686951 889700006 /nfs/dbraw/zinc/70/00/06/889700006.db2.gz WIVVOXCOGAQIED-NXEZZACHSA-N 2 2 272.349 -1.977 20 0 CAADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001410749217 889709043 /nfs/dbraw/zinc/70/90/43/889709043.db2.gz HUHMVDQJAXUDKD-VXGBXAGGSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001410749214 889711884 /nfs/dbraw/zinc/71/18/84/889711884.db2.gz HUHMVDQJAXUDKD-NWDGAFQWSA-N 2 2 298.391 -1.278 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410780355 889714790 /nfs/dbraw/zinc/71/47/90/889714790.db2.gz FFQRERRNXUULKX-NSHDSACASA-N 2 2 286.376 -1.715 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410781715 889715274 /nfs/dbraw/zinc/71/52/74/889715274.db2.gz GCKXYQRDJKQVKM-NSHDSACASA-N 2 2 296.375 -1.522 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001410795971 889719549 /nfs/dbraw/zinc/71/95/49/889719549.db2.gz YIAACANIKPPPAY-SNVBAGLBSA-N 2 2 283.332 -1.996 20 0 CAADLP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001410827854 889722750 /nfs/dbraw/zinc/72/27/50/889722750.db2.gz WJECVQONMZTMQP-NSHDSACASA-N 2 2 292.343 -1.117 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411090366 889732052 /nfs/dbraw/zinc/73/20/52/889732052.db2.gz CLOYDGZMEVJMGC-GXSJLCMTSA-N 2 2 270.333 -1.258 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411090379 889732555 /nfs/dbraw/zinc/73/25/55/889732555.db2.gz CLOYDGZMEVJMGC-KOLCDFICSA-N 2 2 270.333 -1.258 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411090421 889734281 /nfs/dbraw/zinc/73/42/81/889734281.db2.gz CLOYDGZMEVJMGC-ONGXEEELSA-N 2 2 270.333 -1.258 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411125875 889734359 /nfs/dbraw/zinc/73/43/59/889734359.db2.gz MOOMMRIQHLDWQH-MNOVXSKESA-N 2 2 297.359 -1.574 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210755 890197097 /nfs/dbraw/zinc/19/70/97/890197097.db2.gz HLRWAQHEGHYNHZ-ZJUUUORDSA-N 2 2 281.364 -1.101 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210755 890197102 /nfs/dbraw/zinc/19/71/02/890197102.db2.gz HLRWAQHEGHYNHZ-ZJUUUORDSA-N 2 2 281.364 -1.101 20 0 CAADLP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418324052 890206203 /nfs/dbraw/zinc/20/62/03/890206203.db2.gz XDSNFFOOJVMLMC-GHMZBOCLSA-N 2 2 270.333 -1.015 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418689179 890253998 /nfs/dbraw/zinc/25/39/98/890253998.db2.gz XYGSQNUPWYOTSL-SNVBAGLBSA-N 2 2 279.344 -1.114 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418689179 890254014 /nfs/dbraw/zinc/25/40/14/890254014.db2.gz XYGSQNUPWYOTSL-SNVBAGLBSA-N 2 2 279.344 -1.114 20 0 CAADLP C[C@H](C(N)=O)[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747799 890255852 /nfs/dbraw/zinc/25/58/52/890255852.db2.gz HKZGPOJVDXIOFQ-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747799 890255867 /nfs/dbraw/zinc/25/58/67/890255867.db2.gz HKZGPOJVDXIOFQ-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001418747799 890255885 /nfs/dbraw/zinc/25/58/85/890255885.db2.gz HKZGPOJVDXIOFQ-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001418747799 890255903 /nfs/dbraw/zinc/25/59/03/890255903.db2.gz HKZGPOJVDXIOFQ-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001418819152 890265794 /nfs/dbraw/zinc/26/57/94/890265794.db2.gz KVEQAOHNMLKIHZ-QMMMGPOBSA-N 2 2 296.331 -1.416 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419092836 890300627 /nfs/dbraw/zinc/30/06/27/890300627.db2.gz SWJQUJHYZPVCNQ-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419092836 890300643 /nfs/dbraw/zinc/30/06/43/890300643.db2.gz SWJQUJHYZPVCNQ-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001419130256 890307686 /nfs/dbraw/zinc/30/76/86/890307686.db2.gz HKXRCLKBSJDKBQ-LBPRGKRZSA-N 2 2 299.419 -1.454 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001420142797 890399531 /nfs/dbraw/zinc/39/95/31/890399531.db2.gz ISCSCJKJWJYWFJ-ZJUUUORDSA-N 2 2 295.343 -2.003 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001420142793 890400530 /nfs/dbraw/zinc/40/05/30/890400530.db2.gz ISCSCJKJWJYWFJ-VHSXEESVSA-N 2 2 295.343 -2.003 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001420156262 890401850 /nfs/dbraw/zinc/40/18/50/890401850.db2.gz HPUYRINEEQVYLZ-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001420150587 890401938 /nfs/dbraw/zinc/40/19/38/890401938.db2.gz VPXOENLHNQKXDH-JTQLQIEISA-N 2 2 285.348 -1.104 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001420156266 890402013 /nfs/dbraw/zinc/40/20/13/890402013.db2.gz HPUYRINEEQVYLZ-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001420156268 890403410 /nfs/dbraw/zinc/40/34/10/890403410.db2.gz HPUYRINEEQVYLZ-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420204365 890413935 /nfs/dbraw/zinc/41/39/35/890413935.db2.gz JBWVLAPTEXMOCJ-LLVKDONJSA-N 2 2 297.359 -1.526 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001420309503 890428721 /nfs/dbraw/zinc/42/87/21/890428721.db2.gz VBELTPWIWXUZML-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001420309503 890428715 /nfs/dbraw/zinc/42/87/15/890428715.db2.gz VBELTPWIWXUZML-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)[NH+](C)C ZINC001420332513 890429460 /nfs/dbraw/zinc/42/94/60/890429460.db2.gz CDZYAUCIKBJOTM-SECBINFHSA-N 2 2 287.364 -1.431 20 0 CAADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420367382 890435070 /nfs/dbraw/zinc/43/50/70/890435070.db2.gz QXJPYLVZZYTAOU-MWLCHTKSSA-N 2 2 279.344 -1.055 20 0 CAADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420405822 890436560 /nfs/dbraw/zinc/43/65/60/890436560.db2.gz RFTCVJNUJJURQB-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420405822 890436568 /nfs/dbraw/zinc/43/65/68/890436568.db2.gz RFTCVJNUJJURQB-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420509701 890448736 /nfs/dbraw/zinc/44/87/36/890448736.db2.gz FQDCDHIKCYPRGY-UWVGGRQHSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420509701 890448743 /nfs/dbraw/zinc/44/87/43/890448743.db2.gz FQDCDHIKCYPRGY-UWVGGRQHSA-N 2 2 296.375 -1.346 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001421098289 890484554 /nfs/dbraw/zinc/48/45/54/890484554.db2.gz ZZIPFBFFIRWYJB-GFCCVEGCSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001421427781 890510131 /nfs/dbraw/zinc/51/01/31/890510131.db2.gz QVGJYHFBLCJCBO-LBPRGKRZSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001421427781 890510139 /nfs/dbraw/zinc/51/01/39/890510139.db2.gz QVGJYHFBLCJCBO-LBPRGKRZSA-N 2 2 283.372 -1.110 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001421420407 890510189 /nfs/dbraw/zinc/51/01/89/890510189.db2.gz VJLWDZNYSKBNGG-WDEREUQCSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421420407 890510199 /nfs/dbraw/zinc/51/01/99/890510199.db2.gz VJLWDZNYSKBNGG-WDEREUQCSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001421427779 890511205 /nfs/dbraw/zinc/51/12/05/890511205.db2.gz QVGJYHFBLCJCBO-GFCCVEGCSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001421427779 890511220 /nfs/dbraw/zinc/51/12/20/890511220.db2.gz QVGJYHFBLCJCBO-GFCCVEGCSA-N 2 2 283.372 -1.110 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001421507003 890517156 /nfs/dbraw/zinc/51/71/56/890517156.db2.gz YOCVWGJNPYFXJN-UHFFFAOYSA-N 2 2 273.377 -1.128 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001421507003 890517164 /nfs/dbraw/zinc/51/71/64/890517164.db2.gz YOCVWGJNPYFXJN-UHFFFAOYSA-N 2 2 273.377 -1.128 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625651 890519299 /nfs/dbraw/zinc/51/92/99/890519299.db2.gz VDEZHDIJFFUITC-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625651 890519309 /nfs/dbraw/zinc/51/93/09/890519309.db2.gz VDEZHDIJFFUITC-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001421625651 890519322 /nfs/dbraw/zinc/51/93/22/890519322.db2.gz VDEZHDIJFFUITC-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001421625651 890519331 /nfs/dbraw/zinc/51/93/31/890519331.db2.gz VDEZHDIJFFUITC-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1)C(N)=O ZINC001421825743 890534643 /nfs/dbraw/zinc/53/46/43/890534643.db2.gz RMOJHFWJTZHIGF-KOLCDFICSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001421825126 890536597 /nfs/dbraw/zinc/53/65/97/890536597.db2.gz JRPMDCKZNMDRRO-WDEREUQCSA-N 2 2 295.343 -1.426 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001422355389 890581042 /nfs/dbraw/zinc/58/10/42/890581042.db2.gz YFBXATMEWGRIEH-JTQLQIEISA-N 2 2 283.332 -1.914 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001422379079 890582871 /nfs/dbraw/zinc/58/28/71/890582871.db2.gz XSYUZNPEYAOJTM-GXSJLCMTSA-N 2 2 297.359 -1.504 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001422379087 890584795 /nfs/dbraw/zinc/58/47/95/890584795.db2.gz XSYUZNPEYAOJTM-KOLCDFICSA-N 2 2 297.359 -1.504 20 0 CAADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422417697 890590380 /nfs/dbraw/zinc/59/03/80/890590380.db2.gz BJZWJLZOHAUZCI-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422417697 890590382 /nfs/dbraw/zinc/59/03/82/890590382.db2.gz BJZWJLZOHAUZCI-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422417690 890590901 /nfs/dbraw/zinc/59/09/01/890590901.db2.gz BJZWJLZOHAUZCI-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422417690 890590911 /nfs/dbraw/zinc/59/09/11/890590911.db2.gz BJZWJLZOHAUZCI-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001422410146 890592212 /nfs/dbraw/zinc/59/22/12/890592212.db2.gz XYLYWLPCXIEOPL-JTQLQIEISA-N 2 2 283.332 -2.095 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001422858747 890617283 /nfs/dbraw/zinc/61/72/83/890617283.db2.gz RXKMQJZJSSCMOU-NXEZZACHSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001423190606 890638328 /nfs/dbraw/zinc/63/83/28/890638328.db2.gz WORNROSTVIAQMY-VIFPVBQESA-N 2 2 296.331 -1.486 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001423246263 890651104 /nfs/dbraw/zinc/65/11/04/890651104.db2.gz NSWDSBBNNGOGLZ-ZJUUUORDSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001423293929 890661585 /nfs/dbraw/zinc/66/15/85/890661585.db2.gz JRFJPBYJNXKNRS-VHSXEESVSA-N 2 2 270.333 -1.590 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001423285565 890661664 /nfs/dbraw/zinc/66/16/64/890661664.db2.gz HSFADRDQHJUJPP-ZJUUUORDSA-N 2 2 295.343 -1.784 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001423285559 890662038 /nfs/dbraw/zinc/66/20/38/890662038.db2.gz HSFADRDQHJUJPP-NXEZZACHSA-N 2 2 295.343 -1.784 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001423307389 890664443 /nfs/dbraw/zinc/66/44/43/890664443.db2.gz HAOPFLTUXQDYNT-WDEREUQCSA-N 2 2 297.359 -1.574 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299833 890664888 /nfs/dbraw/zinc/66/48/88/890664888.db2.gz JUHBNEVSNKKCRX-VHSXEESVSA-N 2 2 288.348 -2.741 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299833 890664899 /nfs/dbraw/zinc/66/48/99/890664899.db2.gz JUHBNEVSNKKCRX-VHSXEESVSA-N 2 2 288.348 -2.741 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001423307610 890664982 /nfs/dbraw/zinc/66/49/82/890664982.db2.gz QMJFDMQBQIEGQM-LBPRGKRZSA-N 2 2 296.375 -1.522 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001423473681 890677338 /nfs/dbraw/zinc/67/73/38/890677338.db2.gz AGLKOHKSZKHYMJ-JTQLQIEISA-N 2 2 283.332 -2.143 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001423487255 890679918 /nfs/dbraw/zinc/67/99/18/890679918.db2.gz ZRODGTIMXZISFO-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802552 890699251 /nfs/dbraw/zinc/69/92/51/890699251.db2.gz ROELEGYEELETCJ-SMDDNHRTSA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802552 890699258 /nfs/dbraw/zinc/69/92/58/890699258.db2.gz ROELEGYEELETCJ-SMDDNHRTSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001424649187 890739549 /nfs/dbraw/zinc/73/95/49/890739549.db2.gz RCCMRWVDIXTHRH-NSHDSACASA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001424649187 890739563 /nfs/dbraw/zinc/73/95/63/890739563.db2.gz RCCMRWVDIXTHRH-NSHDSACASA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001424649179 890740261 /nfs/dbraw/zinc/74/02/61/890740261.db2.gz RCCMRWVDIXTHRH-LLVKDONJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)C1 ZINC001424649179 890740273 /nfs/dbraw/zinc/74/02/73/890740273.db2.gz RCCMRWVDIXTHRH-LLVKDONJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001425363044 890774924 /nfs/dbraw/zinc/77/49/24/890774924.db2.gz OYPLKKNUCVZLCO-ONGXEEELSA-N 2 2 295.343 -1.357 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708720 890794788 /nfs/dbraw/zinc/79/47/88/890794788.db2.gz GLIAKTBTLBQNCT-NWDGAFQWSA-N 2 2 298.387 -1.574 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708720 890794797 /nfs/dbraw/zinc/79/47/97/890794797.db2.gz GLIAKTBTLBQNCT-NWDGAFQWSA-N 2 2 298.387 -1.574 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708733 890795698 /nfs/dbraw/zinc/79/56/98/890795698.db2.gz GLIAKTBTLBQNCT-VXGBXAGGSA-N 2 2 298.387 -1.574 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708733 890795712 /nfs/dbraw/zinc/79/57/12/890795712.db2.gz GLIAKTBTLBQNCT-VXGBXAGGSA-N 2 2 298.387 -1.574 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708727 890796717 /nfs/dbraw/zinc/79/67/17/890796717.db2.gz GLIAKTBTLBQNCT-RYUDHWBXSA-N 2 2 298.387 -1.574 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708727 890796732 /nfs/dbraw/zinc/79/67/32/890796732.db2.gz GLIAKTBTLBQNCT-RYUDHWBXSA-N 2 2 298.387 -1.574 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425710514 890797260 /nfs/dbraw/zinc/79/72/60/890797260.db2.gz IWPKVRALUNVTEA-UWVGGRQHSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425710514 890797268 /nfs/dbraw/zinc/79/72/68/890797268.db2.gz IWPKVRALUNVTEA-UWVGGRQHSA-N 2 2 297.363 -2.129 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001425738611 890805494 /nfs/dbraw/zinc/80/54/94/890805494.db2.gz RYMZHWBJQWMPKH-ZJUUUORDSA-N 2 2 288.348 -2.870 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001425738611 890805508 /nfs/dbraw/zinc/80/55/08/890805508.db2.gz RYMZHWBJQWMPKH-ZJUUUORDSA-N 2 2 288.348 -2.870 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425738388 890808396 /nfs/dbraw/zinc/80/83/96/890808396.db2.gz RYMZHWBJQWMPKH-VHSXEESVSA-N 2 2 288.348 -2.870 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425738388 890808408 /nfs/dbraw/zinc/80/84/08/890808408.db2.gz RYMZHWBJQWMPKH-VHSXEESVSA-N 2 2 288.348 -2.870 20 0 CAADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](CO)[NH2+]CCO ZINC001425742167 890810050 /nfs/dbraw/zinc/81/00/50/890810050.db2.gz JIZCMGBINZEZHX-LBPRGKRZSA-N 2 2 296.371 -1.179 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425789865 890820608 /nfs/dbraw/zinc/82/06/08/890820608.db2.gz HZNDSMFNSRRAOD-VXGBXAGGSA-N 2 2 298.387 -1.620 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425789865 890820611 /nfs/dbraw/zinc/82/06/11/890820611.db2.gz HZNDSMFNSRRAOD-VXGBXAGGSA-N 2 2 298.387 -1.620 20 0 CAADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001425795876 890821015 /nfs/dbraw/zinc/82/10/15/890821015.db2.gz CCTUUZAPLFXOIR-QWRGUYRKSA-N 2 2 298.391 -1.278 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001425836988 890827395 /nfs/dbraw/zinc/82/73/95/890827395.db2.gz IWGUQXICICFDSE-WDEREUQCSA-N 2 2 296.375 -1.368 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001425836988 890827403 /nfs/dbraw/zinc/82/74/03/890827403.db2.gz IWGUQXICICFDSE-WDEREUQCSA-N 2 2 296.375 -1.368 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001425836970 890827549 /nfs/dbraw/zinc/82/75/49/890827549.db2.gz IWGUQXICICFDSE-GHMZBOCLSA-N 2 2 296.375 -1.368 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001425836970 890827556 /nfs/dbraw/zinc/82/75/56/890827556.db2.gz IWGUQXICICFDSE-GHMZBOCLSA-N 2 2 296.375 -1.368 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001425840638 890827592 /nfs/dbraw/zinc/82/75/92/890827592.db2.gz NYPHVEMYSKPKRU-LBPRGKRZSA-N 2 2 296.375 -1.522 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001425826823 890827854 /nfs/dbraw/zinc/82/78/54/890827854.db2.gz SYPKBZOPMVKGBT-LLVKDONJSA-N 2 2 292.343 -1.084 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001425831289 890829130 /nfs/dbraw/zinc/82/91/30/890829130.db2.gz BPVGQZVHQFBCNZ-IUCAKERBSA-N 2 2 283.332 -1.799 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001425831290 890829259 /nfs/dbraw/zinc/82/92/59/890829259.db2.gz BPVGQZVHQFBCNZ-RKDXNWHRSA-N 2 2 283.332 -1.799 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001425836977 890830851 /nfs/dbraw/zinc/83/08/51/890830851.db2.gz IWGUQXICICFDSE-MNOVXSKESA-N 2 2 296.375 -1.368 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001425836977 890830859 /nfs/dbraw/zinc/83/08/59/890830859.db2.gz IWGUQXICICFDSE-MNOVXSKESA-N 2 2 296.375 -1.368 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425852886 890832167 /nfs/dbraw/zinc/83/21/67/890832167.db2.gz WVGQJQBEYJWKNV-VXGBXAGGSA-N 2 2 282.344 -1.014 20 0 CAADLP Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425843701 890832234 /nfs/dbraw/zinc/83/22/34/890832234.db2.gz SQRZXFKIPXDUDT-GHMZBOCLSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425843701 890832247 /nfs/dbraw/zinc/83/22/47/890832247.db2.gz SQRZXFKIPXDUDT-GHMZBOCLSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425843702 890832939 /nfs/dbraw/zinc/83/29/39/890832939.db2.gz SQRZXFKIPXDUDT-MNOVXSKESA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425843702 890832952 /nfs/dbraw/zinc/83/29/52/890832952.db2.gz SQRZXFKIPXDUDT-MNOVXSKESA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425843704 890833130 /nfs/dbraw/zinc/83/31/30/890833130.db2.gz SQRZXFKIPXDUDT-WDEREUQCSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nonc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425843704 890833133 /nfs/dbraw/zinc/83/31/33/890833133.db2.gz SQRZXFKIPXDUDT-WDEREUQCSA-N 2 2 297.359 -1.104 20 0 CAADLP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001425846114 890834018 /nfs/dbraw/zinc/83/40/18/890834018.db2.gz IASLXKMJTQXNEE-QWRGUYRKSA-N 2 2 295.343 -1.820 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001425844924 890834160 /nfs/dbraw/zinc/83/41/60/890834160.db2.gz UFFTVMLQGFKICN-SNVBAGLBSA-N 2 2 297.359 -1.584 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001425845329 890834308 /nfs/dbraw/zinc/83/43/08/890834308.db2.gz VHYFQUKNUGONJG-VIFPVBQESA-N 2 2 283.332 -1.927 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001425998954 890839645 /nfs/dbraw/zinc/83/96/45/890839645.db2.gz FTTFXYXHBWZUEN-ONGXEEELSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001425998954 890839650 /nfs/dbraw/zinc/83/96/50/890839650.db2.gz FTTFXYXHBWZUEN-ONGXEEELSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001425998942 890841311 /nfs/dbraw/zinc/84/13/11/890841311.db2.gz FTTFXYXHBWZUEN-KOLCDFICSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001425998942 890841324 /nfs/dbraw/zinc/84/13/24/890841324.db2.gz FTTFXYXHBWZUEN-KOLCDFICSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001425998949 890842087 /nfs/dbraw/zinc/84/20/87/890842087.db2.gz FTTFXYXHBWZUEN-MWLCHTKSSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001425998949 890842098 /nfs/dbraw/zinc/84/20/98/890842098.db2.gz FTTFXYXHBWZUEN-MWLCHTKSSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001426022375 890845428 /nfs/dbraw/zinc/84/54/28/890845428.db2.gz GFGFWTRGISTFBS-UWVGGRQHSA-N 2 2 270.333 -1.258 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001426027554 890845464 /nfs/dbraw/zinc/84/54/64/890845464.db2.gz ZZGFBTUKCNLJHU-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426041402 890846954 /nfs/dbraw/zinc/84/69/54/890846954.db2.gz WQWOUMOEQPHEKX-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426041396 890850357 /nfs/dbraw/zinc/85/03/57/890850357.db2.gz WQWOUMOEQPHEKX-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001436741056 891155753 /nfs/dbraw/zinc/15/57/53/891155753.db2.gz CKNVZRSNKQXDJM-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001436741056 891155765 /nfs/dbraw/zinc/15/57/65/891155765.db2.gz CKNVZRSNKQXDJM-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001436823469 891156944 /nfs/dbraw/zinc/15/69/44/891156944.db2.gz CBNHIEPKTBLBAD-NSHDSACASA-N 2 2 279.344 -1.068 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001436746085 891157114 /nfs/dbraw/zinc/15/71/14/891157114.db2.gz LFUKJJUAYLRFMX-NXEZZACHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001436746085 891157119 /nfs/dbraw/zinc/15/71/19/891157119.db2.gz LFUKJJUAYLRFMX-NXEZZACHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001436746085 891157124 /nfs/dbraw/zinc/15/71/24/891157124.db2.gz LFUKJJUAYLRFMX-NXEZZACHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001436746085 891157128 /nfs/dbraw/zinc/15/71/28/891157128.db2.gz LFUKJJUAYLRFMX-NXEZZACHSA-N 2 2 297.359 -1.677 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001437235866 891171086 /nfs/dbraw/zinc/17/10/86/891171086.db2.gz KNUVNBJSBCFJAR-ONGXEEELSA-N 2 2 279.344 -1.055 20 0 CAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437564953 891185407 /nfs/dbraw/zinc/18/54/07/891185407.db2.gz WWOGVSZLXMZGEK-UHFFFAOYSA-N 2 2 299.375 -1.414 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437564953 891185417 /nfs/dbraw/zinc/18/54/17/891185417.db2.gz WWOGVSZLXMZGEK-UHFFFAOYSA-N 2 2 299.375 -1.414 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437810618 891191574 /nfs/dbraw/zinc/19/15/74/891191574.db2.gz BPRBLOHHWHSUAB-GFCCVEGCSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437810618 891191577 /nfs/dbraw/zinc/19/15/77/891191577.db2.gz BPRBLOHHWHSUAB-GFCCVEGCSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001437810618 891191584 /nfs/dbraw/zinc/19/15/84/891191584.db2.gz BPRBLOHHWHSUAB-GFCCVEGCSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001437810618 891191590 /nfs/dbraw/zinc/19/15/90/891191590.db2.gz BPRBLOHHWHSUAB-GFCCVEGCSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)NC(N)=O ZINC001438547738 891226611 /nfs/dbraw/zinc/22/66/11/891226611.db2.gz GEQJCCPKSNEYGI-SECBINFHSA-N 2 2 296.331 -1.580 20 0 CAADLP CN(CC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C ZINC001438905301 891236893 /nfs/dbraw/zinc/23/68/93/891236893.db2.gz UZFLZCFFWVJXAM-UHFFFAOYSA-N 2 2 298.391 -1.050 20 0 CAADLP CN(CC[N@H+](C)Cc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C ZINC001438905301 891236883 /nfs/dbraw/zinc/23/68/83/891236883.db2.gz UZFLZCFFWVJXAM-UHFFFAOYSA-N 2 2 298.391 -1.050 20 0 CAADLP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001439025605 891268130 /nfs/dbraw/zinc/26/81/30/891268130.db2.gz GEZFDYYRQRITEK-LLVKDONJSA-N 2 2 297.359 -1.457 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439045945 891272994 /nfs/dbraw/zinc/27/29/94/891272994.db2.gz IYOWCWIWIRPXRJ-LLVKDONJSA-N 2 2 297.359 -1.835 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001439065013 891278310 /nfs/dbraw/zinc/27/83/10/891278310.db2.gz YZJOAKXNADKDDF-NSHDSACASA-N 2 2 285.348 -1.024 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001439065013 891278322 /nfs/dbraw/zinc/27/83/22/891278322.db2.gz YZJOAKXNADKDDF-NSHDSACASA-N 2 2 285.348 -1.024 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439049125 891280128 /nfs/dbraw/zinc/28/01/28/891280128.db2.gz RLKFVYRPBMDCTA-KOLCDFICSA-N 2 2 297.359 -1.836 20 0 CAADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001439103359 891285378 /nfs/dbraw/zinc/28/53/78/891285378.db2.gz RFTCVJNUJJURQB-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439103359 891285392 /nfs/dbraw/zinc/28/53/92/891285392.db2.gz RFTCVJNUJJURQB-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001439985234 891332944 /nfs/dbraw/zinc/33/29/44/891332944.db2.gz TUOKBSRJHWCCQK-GWCFXTLKSA-N 2 2 284.360 -1.881 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001439985234 891332961 /nfs/dbraw/zinc/33/29/61/891332961.db2.gz TUOKBSRJHWCCQK-GWCFXTLKSA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001439985234 891332977 /nfs/dbraw/zinc/33/29/77/891332977.db2.gz TUOKBSRJHWCCQK-GWCFXTLKSA-N 2 2 284.360 -1.881 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001439985234 891332993 /nfs/dbraw/zinc/33/29/93/891332993.db2.gz TUOKBSRJHWCCQK-GWCFXTLKSA-N 2 2 284.360 -1.881 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001440211301 891360148 /nfs/dbraw/zinc/36/01/48/891360148.db2.gz ZSXBMWOCFPAKPM-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001440211295 891361112 /nfs/dbraw/zinc/36/11/12/891361112.db2.gz ZSXBMWOCFPAKPM-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001440560598 891374789 /nfs/dbraw/zinc/37/47/89/891374789.db2.gz SLINJHGSLHNSEC-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC1(CO)CC[NH+](CCO)CC1 ZINC001440707797 891380684 /nfs/dbraw/zinc/38/06/84/891380684.db2.gz SXSMGJVRXYVYPV-UHFFFAOYSA-N 2 2 282.344 -1.112 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001441720003 891439825 /nfs/dbraw/zinc/43/98/25/891439825.db2.gz DBDCZIOKWKHOBE-SNVBAGLBSA-N 2 2 283.332 -1.914 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001441726672 891440396 /nfs/dbraw/zinc/44/03/96/891440396.db2.gz VHPOUNNKFDDUTQ-ZJUUUORDSA-N 2 2 283.332 -1.786 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001441720035 891440521 /nfs/dbraw/zinc/44/05/21/891440521.db2.gz LTZRAHQCRGCSQY-JTQLQIEISA-N 2 2 283.332 -1.996 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001441753759 891443217 /nfs/dbraw/zinc/44/32/17/891443217.db2.gz WDEOHZXPAHQSPT-SECBINFHSA-N 2 2 285.352 -2.272 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+]CCF ZINC001441755320 891444110 /nfs/dbraw/zinc/44/41/10/891444110.db2.gz PRCCRABPNIRNQE-NSHDSACASA-N 2 2 277.340 -1.255 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001441745438 891444711 /nfs/dbraw/zinc/44/47/11/891444711.db2.gz CTPAPZILWWTFSO-LLVKDONJSA-N 2 2 293.331 -1.689 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001441773468 891450376 /nfs/dbraw/zinc/45/03/76/891450376.db2.gz QXGYVYZKWCOEQT-SNVBAGLBSA-N 2 2 297.359 -1.835 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001441781628 891450429 /nfs/dbraw/zinc/45/04/29/891450429.db2.gz GBCZOVMLUAXNAD-NXEZZACHSA-N 2 2 297.359 -1.836 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001441787670 891450486 /nfs/dbraw/zinc/45/04/86/891450486.db2.gz MDEKSBAXIOMGAA-JTQLQIEISA-N 2 2 297.359 -1.835 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441789369 891450702 /nfs/dbraw/zinc/45/07/02/891450702.db2.gz IKYHFECADGIRLJ-ZJUUUORDSA-N 2 2 297.363 -2.272 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441789369 891450707 /nfs/dbraw/zinc/45/07/07/891450707.db2.gz IKYHFECADGIRLJ-ZJUUUORDSA-N 2 2 297.363 -2.272 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441789363 891451143 /nfs/dbraw/zinc/45/11/43/891451143.db2.gz IKYHFECADGIRLJ-UWVGGRQHSA-N 2 2 297.363 -2.272 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441789363 891451145 /nfs/dbraw/zinc/45/11/45/891451145.db2.gz IKYHFECADGIRLJ-UWVGGRQHSA-N 2 2 297.363 -2.272 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441783230 891452412 /nfs/dbraw/zinc/45/24/12/891452412.db2.gz BGZWRCXEOCXZCD-GHMZBOCLSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441783230 891452418 /nfs/dbraw/zinc/45/24/18/891452418.db2.gz BGZWRCXEOCXZCD-GHMZBOCLSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001441796666 891453569 /nfs/dbraw/zinc/45/35/69/891453569.db2.gz PDHQMOZDSOPCOB-JQWIXIFHSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001441796666 891453577 /nfs/dbraw/zinc/45/35/77/891453577.db2.gz PDHQMOZDSOPCOB-JQWIXIFHSA-N 2 2 296.375 -1.667 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001442042762 891475149 /nfs/dbraw/zinc/47/51/49/891475149.db2.gz PJTHROPHJVZFLT-SECBINFHSA-N 2 2 297.359 -1.419 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001442008951 891475395 /nfs/dbraw/zinc/47/53/95/891475395.db2.gz BOBBHMBJFWAIQW-WDEREUQCSA-N 2 2 297.359 -1.375 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001442008945 891475529 /nfs/dbraw/zinc/47/55/29/891475529.db2.gz BOBBHMBJFWAIQW-MNOVXSKESA-N 2 2 297.359 -1.375 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001442046918 891475850 /nfs/dbraw/zinc/47/58/50/891475850.db2.gz AGMMJTGYMWTAEE-LLVKDONJSA-N 2 2 297.359 -1.620 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001442008948 891476702 /nfs/dbraw/zinc/47/67/02/891476702.db2.gz BOBBHMBJFWAIQW-QWRGUYRKSA-N 2 2 297.359 -1.375 20 0 CAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001442055178 891480860 /nfs/dbraw/zinc/48/08/60/891480860.db2.gz HDWGVMXPKHOJIA-GHMZBOCLSA-N 2 2 295.343 -1.820 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001442599195 891500237 /nfs/dbraw/zinc/50/02/37/891500237.db2.gz MCXZNQXACCBMIJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001442599195 891500252 /nfs/dbraw/zinc/50/02/52/891500252.db2.gz MCXZNQXACCBMIJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001442599195 891500263 /nfs/dbraw/zinc/50/02/63/891500263.db2.gz MCXZNQXACCBMIJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001442599195 891500274 /nfs/dbraw/zinc/50/02/74/891500274.db2.gz MCXZNQXACCBMIJ-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP C[NH+](C)CCn1cc(C(=O)NCC[N@H+](C)CC(N)=O)cn1 ZINC001442555681 891501549 /nfs/dbraw/zinc/50/15/49/891501549.db2.gz YJJIBCBFPTZJPO-UHFFFAOYSA-N 2 2 296.375 -1.408 20 0 CAADLP C[NH+](C)CCn1cc(C(=O)NCC[N@@H+](C)CC(N)=O)cn1 ZINC001442555681 891501556 /nfs/dbraw/zinc/50/15/56/891501556.db2.gz YJJIBCBFPTZJPO-UHFFFAOYSA-N 2 2 296.375 -1.408 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001443556417 891530876 /nfs/dbraw/zinc/53/08/76/891530876.db2.gz IXYIGUZYNVGWHZ-GFCCVEGCSA-N 2 2 282.344 -1.001 20 0 CAADLP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001444955346 891593485 /nfs/dbraw/zinc/59/34/85/891593485.db2.gz LJFVLWQHSSUOAG-JTQLQIEISA-N 2 2 299.375 -1.334 20 0 CAADLP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001444955346 891593495 /nfs/dbraw/zinc/59/34/95/891593495.db2.gz LJFVLWQHSSUOAG-JTQLQIEISA-N 2 2 299.375 -1.334 20 0 CAADLP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444955346 891593505 /nfs/dbraw/zinc/59/35/05/891593505.db2.gz LJFVLWQHSSUOAG-JTQLQIEISA-N 2 2 299.375 -1.334 20 0 CAADLP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444955346 891593516 /nfs/dbraw/zinc/59/35/16/891593516.db2.gz LJFVLWQHSSUOAG-JTQLQIEISA-N 2 2 299.375 -1.334 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445216164 891616054 /nfs/dbraw/zinc/61/60/54/891616054.db2.gz ZKDJTIRSNKYEBK-WDEREUQCSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445216164 891616066 /nfs/dbraw/zinc/61/60/66/891616066.db2.gz ZKDJTIRSNKYEBK-WDEREUQCSA-N 2 2 295.343 -1.703 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445238877 891619730 /nfs/dbraw/zinc/61/97/30/891619730.db2.gz MCUQDZKDWFMPAQ-MWLCHTKSSA-N 2 2 297.359 -1.599 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001445238877 891619737 /nfs/dbraw/zinc/61/97/37/891619737.db2.gz MCUQDZKDWFMPAQ-MWLCHTKSSA-N 2 2 297.359 -1.599 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001445240276 891619926 /nfs/dbraw/zinc/61/99/26/891619926.db2.gz AUCNMUAJUMTVST-NXEZZACHSA-N 2 2 283.332 -1.717 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001445240302 891620590 /nfs/dbraw/zinc/62/05/90/891620590.db2.gz AUCNMUAJUMTVST-VHSXEESVSA-N 2 2 283.332 -1.717 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445238875 891621097 /nfs/dbraw/zinc/62/10/97/891621097.db2.gz MCUQDZKDWFMPAQ-GXSJLCMTSA-N 2 2 297.359 -1.599 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445238875 891621108 /nfs/dbraw/zinc/62/11/08/891621108.db2.gz MCUQDZKDWFMPAQ-GXSJLCMTSA-N 2 2 297.359 -1.599 20 0 CAADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001445270148 891622993 /nfs/dbraw/zinc/62/29/93/891622993.db2.gz LVMPOFGKZDREDT-NSHDSACASA-N 2 2 283.332 -1.268 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001445268547 891623112 /nfs/dbraw/zinc/62/31/12/891623112.db2.gz JEVICPREGLUEOO-JTQLQIEISA-N 2 2 297.363 -2.127 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001445261351 891624997 /nfs/dbraw/zinc/62/49/97/891624997.db2.gz ZATMVUGLCWNNPS-ZJUUUORDSA-N 2 2 297.359 -1.409 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445265771 891625948 /nfs/dbraw/zinc/62/59/48/891625948.db2.gz ZFTITUHJSUKAMX-UWVGGRQHSA-N 2 2 281.316 -2.093 20 0 CAADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445305899 891629076 /nfs/dbraw/zinc/62/90/76/891629076.db2.gz LAQDDTBMEXIFON-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445305899 891629082 /nfs/dbraw/zinc/62/90/82/891629082.db2.gz LAQDDTBMEXIFON-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445305905 891629275 /nfs/dbraw/zinc/62/92/75/891629275.db2.gz LAQDDTBMEXIFON-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445305905 891629281 /nfs/dbraw/zinc/62/92/81/891629281.db2.gz LAQDDTBMEXIFON-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001445357626 891631115 /nfs/dbraw/zinc/63/11/15/891631115.db2.gz VLAINDJMXICUSC-NXEZZACHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001445357626 891631127 /nfs/dbraw/zinc/63/11/27/891631127.db2.gz VLAINDJMXICUSC-NXEZZACHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445373247 891631922 /nfs/dbraw/zinc/63/19/22/891631922.db2.gz MEFOSAPECHEDQT-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445373247 891631932 /nfs/dbraw/zinc/63/19/32/891631932.db2.gz MEFOSAPECHEDQT-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445373243 891632611 /nfs/dbraw/zinc/63/26/11/891632611.db2.gz MEFOSAPECHEDQT-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445373243 891632616 /nfs/dbraw/zinc/63/26/16/891632616.db2.gz MEFOSAPECHEDQT-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001446438837 891677942 /nfs/dbraw/zinc/67/79/42/891677942.db2.gz WYQHBOWSNPHUCT-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001446438837 891677946 /nfs/dbraw/zinc/67/79/46/891677946.db2.gz WYQHBOWSNPHUCT-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446747491 891684767 /nfs/dbraw/zinc/68/47/67/891684767.db2.gz BYVUBDMXMWCZTF-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446747491 891684773 /nfs/dbraw/zinc/68/47/73/891684773.db2.gz BYVUBDMXMWCZTF-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446747491 891684779 /nfs/dbraw/zinc/68/47/79/891684779.db2.gz BYVUBDMXMWCZTF-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446747491 891684787 /nfs/dbraw/zinc/68/47/87/891684787.db2.gz BYVUBDMXMWCZTF-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446747492 891685500 /nfs/dbraw/zinc/68/55/00/891685500.db2.gz BYVUBDMXMWCZTF-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001446747492 891685503 /nfs/dbraw/zinc/68/55/03/891685503.db2.gz BYVUBDMXMWCZTF-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446747492 891685506 /nfs/dbraw/zinc/68/55/06/891685506.db2.gz BYVUBDMXMWCZTF-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001446747492 891685509 /nfs/dbraw/zinc/68/55/09/891685509.db2.gz BYVUBDMXMWCZTF-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446758875 891687365 /nfs/dbraw/zinc/68/73/65/891687365.db2.gz PLZMSNJJEDSORP-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446758875 891687367 /nfs/dbraw/zinc/68/73/67/891687367.db2.gz PLZMSNJJEDSORP-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001446780789 891689360 /nfs/dbraw/zinc/68/93/60/891689360.db2.gz BNHTUHIVNXLJQG-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001446780789 891689366 /nfs/dbraw/zinc/68/93/66/891689366.db2.gz BNHTUHIVNXLJQG-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446808618 891692994 /nfs/dbraw/zinc/69/29/94/891692994.db2.gz UXXRMKCJFXYCMJ-ZDUSSCGKSA-N 2 2 282.344 -1.492 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001446808618 891692981 /nfs/dbraw/zinc/69/29/81/891692981.db2.gz UXXRMKCJFXYCMJ-ZDUSSCGKSA-N 2 2 282.344 -1.492 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001446904528 891703652 /nfs/dbraw/zinc/70/36/52/891703652.db2.gz XDIPUWQCAGTKDT-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446904528 891703660 /nfs/dbraw/zinc/70/36/60/891703660.db2.gz XDIPUWQCAGTKDT-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001447033448 891710842 /nfs/dbraw/zinc/71/08/42/891710842.db2.gz CNWNONGFUBPRNL-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001447033448 891710846 /nfs/dbraw/zinc/71/08/46/891710846.db2.gz CNWNONGFUBPRNL-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001447061925 891713202 /nfs/dbraw/zinc/71/32/02/891713202.db2.gz WOHIFGFNSJNVLR-JTQLQIEISA-N 2 2 297.359 -1.455 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001447316760 891720589 /nfs/dbraw/zinc/72/05/89/891720589.db2.gz YBAIDNDIZIFCBO-LLVKDONJSA-N 2 2 295.343 -1.735 20 0 CAADLP NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001447440675 891723612 /nfs/dbraw/zinc/72/36/12/891723612.db2.gz FIUYEZORWOZVAZ-CYBMUJFWSA-N 2 2 295.343 -1.619 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001447480098 891727820 /nfs/dbraw/zinc/72/78/20/891727820.db2.gz YVOJUAPBWGZFII-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC(N)=O ZINC001448750047 891773090 /nfs/dbraw/zinc/77/30/90/891773090.db2.gz LRPRCXVPSKOMLS-MRVPVSSYSA-N 2 2 296.331 -1.416 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001448923867 891810608 /nfs/dbraw/zinc/81/06/08/891810608.db2.gz LZKRTPNHSPWJMO-GXSJLCMTSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001448923867 891810631 /nfs/dbraw/zinc/81/06/31/891810631.db2.gz LZKRTPNHSPWJMO-GXSJLCMTSA-N 2 2 270.333 -1.353 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001448952696 891813945 /nfs/dbraw/zinc/81/39/45/891813945.db2.gz OOABDGHREDBRFZ-WDEREUQCSA-N 2 2 277.340 -1.257 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001448952696 891813953 /nfs/dbraw/zinc/81/39/53/891813953.db2.gz OOABDGHREDBRFZ-WDEREUQCSA-N 2 2 277.340 -1.257 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001448952688 891815366 /nfs/dbraw/zinc/81/53/66/891815366.db2.gz OOABDGHREDBRFZ-GHMZBOCLSA-N 2 2 277.340 -1.257 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001448952688 891815373 /nfs/dbraw/zinc/81/53/73/891815373.db2.gz OOABDGHREDBRFZ-GHMZBOCLSA-N 2 2 277.340 -1.257 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001448950818 891815646 /nfs/dbraw/zinc/81/56/46/891815646.db2.gz GBBZEBLLETWVTK-GFCCVEGCSA-N 2 2 292.343 -1.117 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001448954784 891816092 /nfs/dbraw/zinc/81/60/92/891816092.db2.gz OHVGNVLIJLLIKF-LLVKDONJSA-N 2 2 296.375 -1.224 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001448952499 891816271 /nfs/dbraw/zinc/81/62/71/891816271.db2.gz JIDIIUPFILITBD-VHSXEESVSA-N 2 2 283.332 -1.916 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001448952495 891816725 /nfs/dbraw/zinc/81/67/25/891816725.db2.gz JIDIIUPFILITBD-UWVGGRQHSA-N 2 2 283.332 -1.916 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001448952502 891817517 /nfs/dbraw/zinc/81/75/17/891817517.db2.gz JIDIIUPFILITBD-ZJUUUORDSA-N 2 2 283.332 -1.916 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666183 892013547 /nfs/dbraw/zinc/01/35/47/892013547.db2.gz XHYKMZUHMVSRNW-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666183 892013564 /nfs/dbraw/zinc/01/35/64/892013564.db2.gz XHYKMZUHMVSRNW-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666183 892013581 /nfs/dbraw/zinc/01/35/81/892013581.db2.gz XHYKMZUHMVSRNW-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666183 892013595 /nfs/dbraw/zinc/01/35/95/892013595.db2.gz XHYKMZUHMVSRNW-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001471177745 892347466 /nfs/dbraw/zinc/34/74/66/892347466.db2.gz GSFLXRRQJBLDGM-JTNHKYCSSA-N 2 2 294.355 -1.009 20 0 CAADLP NC(=O)C1([NH2+]CCn2cc[nH+]c2)CCS(=O)(=O)CC1 ZINC001473734399 892425944 /nfs/dbraw/zinc/42/59/44/892425944.db2.gz SWMOCKUNTUYZQW-UHFFFAOYSA-N 2 2 286.357 -1.095 20 0 CAADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001480174780 892503969 /nfs/dbraw/zinc/50/39/69/892503969.db2.gz JABPDBVZKIUFBB-MGCOHNPYSA-N 2 2 265.317 -1.134 20 0 CAADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001480507985 892524699 /nfs/dbraw/zinc/52/46/99/892524699.db2.gz AMISTKLSBAFSQA-SECBINFHSA-N 2 2 267.333 -1.068 20 0 CAADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001480507986 892526955 /nfs/dbraw/zinc/52/69/55/892526955.db2.gz AMISTKLSBAFSQA-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851710 892547317 /nfs/dbraw/zinc/54/73/17/892547317.db2.gz FCRWISMJJYUGOY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851710 892547334 /nfs/dbraw/zinc/54/73/34/892547334.db2.gz FCRWISMJJYUGOY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851710 892547350 /nfs/dbraw/zinc/54/73/50/892547350.db2.gz FCRWISMJJYUGOY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCNC1=O ZINC001480851710 892547365 /nfs/dbraw/zinc/54/73/65/892547365.db2.gz FCRWISMJJYUGOY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CCC1 ZINC001480872855 892554398 /nfs/dbraw/zinc/55/43/98/892554398.db2.gz GAISAFWCUNXFFR-UHFFFAOYSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](C)C1(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CCC1 ZINC001480872855 892554410 /nfs/dbraw/zinc/55/44/10/892554410.db2.gz GAISAFWCUNXFFR-UHFFFAOYSA-N 2 2 299.375 -1.286 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC001480879406 892555728 /nfs/dbraw/zinc/55/57/28/892555728.db2.gz OFWWANWQHUUHTF-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC001480879406 892555738 /nfs/dbraw/zinc/55/57/38/892555738.db2.gz OFWWANWQHUUHTF-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001480879406 892555749 /nfs/dbraw/zinc/55/57/49/892555749.db2.gz OFWWANWQHUUHTF-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(=O)NC(N)=O ZINC001480879406 892555755 /nfs/dbraw/zinc/55/57/55/892555755.db2.gz OFWWANWQHUUHTF-SNVBAGLBSA-N 2 2 299.375 -1.286 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001481642586 892618014 /nfs/dbraw/zinc/61/80/14/892618014.db2.gz LIAGMGOUQBKGIT-UHFFFAOYSA-N 2 2 256.350 -1.268 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481249881 892590056 /nfs/dbraw/zinc/59/00/56/892590056.db2.gz KJOKDPSKYFZFAC-SNVBAGLBSA-N 2 2 279.344 -1.021 20 0 CAADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001481294633 892598543 /nfs/dbraw/zinc/59/85/43/892598543.db2.gz CSFVJTBAOKEIJQ-VIFPVBQESA-N 2 2 265.317 -1.111 20 0 CAADLP CC[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001481630053 892613557 /nfs/dbraw/zinc/61/35/57/892613557.db2.gz CFYIXZAWQNEXCB-SNVBAGLBSA-N 2 2 256.350 -1.140 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482743792 892683765 /nfs/dbraw/zinc/68/37/65/892683765.db2.gz JMFRMTPUFVVPBU-NEPJUHHUSA-N 2 2 296.371 -1.105 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001482750250 892685977 /nfs/dbraw/zinc/68/59/77/892685977.db2.gz NQXDKKWOAXESBQ-LLVKDONJSA-N 2 2 294.315 -1.159 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001482753206 892688402 /nfs/dbraw/zinc/68/84/02/892688402.db2.gz IMNUZFLCAAZXSL-GHMZBOCLSA-N 2 2 270.333 -1.279 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001482753210 892688775 /nfs/dbraw/zinc/68/87/75/892688775.db2.gz IMNUZFLCAAZXSL-WDEREUQCSA-N 2 2 270.333 -1.279 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001482753207 892689767 /nfs/dbraw/zinc/68/97/67/892689767.db2.gz IMNUZFLCAAZXSL-MNOVXSKESA-N 2 2 270.333 -1.279 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001482791969 892704751 /nfs/dbraw/zinc/70/47/51/892704751.db2.gz FTOJCUWINLKWQB-LLVKDONJSA-N 2 2 296.375 -1.224 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001482787966 892704939 /nfs/dbraw/zinc/70/49/39/892704939.db2.gz KLSOTTFFRZOKQU-VHSXEESVSA-N 2 2 295.343 -1.784 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001482787964 892706123 /nfs/dbraw/zinc/70/61/23/892706123.db2.gz KLSOTTFFRZOKQU-UWVGGRQHSA-N 2 2 295.343 -1.784 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001482787960 892706182 /nfs/dbraw/zinc/70/61/82/892706182.db2.gz KLSOTTFFRZOKQU-NXEZZACHSA-N 2 2 295.343 -1.784 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001482787968 892706225 /nfs/dbraw/zinc/70/62/25/892706225.db2.gz KLSOTTFFRZOKQU-ZJUUUORDSA-N 2 2 295.343 -1.784 20 0 CAADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001483199400 892739848 /nfs/dbraw/zinc/73/98/48/892739848.db2.gz GSKIKAHWVVVZTL-RKDXNWHRSA-N 2 2 253.306 -1.149 20 0 CAADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179341 892740021 /nfs/dbraw/zinc/74/00/21/892740021.db2.gz ZFFZPBWIEJRJSW-BDAKNGLRSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001483199399 892740471 /nfs/dbraw/zinc/74/04/71/892740471.db2.gz GSKIKAHWVVVZTL-BDAKNGLRSA-N 2 2 253.306 -1.149 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483278008 892750550 /nfs/dbraw/zinc/75/05/50/892750550.db2.gz OMHFMNMUYVGXDS-QMMMGPOBSA-N 2 2 253.306 -1.208 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424297 892763127 /nfs/dbraw/zinc/76/31/27/892763127.db2.gz POBIEKGXBKVDOJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424297 892763131 /nfs/dbraw/zinc/76/31/31/892763131.db2.gz POBIEKGXBKVDOJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)C1 ZINC001483424297 892763137 /nfs/dbraw/zinc/76/31/37/892763137.db2.gz POBIEKGXBKVDOJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)C1 ZINC001483424297 892763144 /nfs/dbraw/zinc/76/31/44/892763144.db2.gz POBIEKGXBKVDOJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424298 892764311 /nfs/dbraw/zinc/76/43/11/892764311.db2.gz POBIEKGXBKVDOJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424298 892764322 /nfs/dbraw/zinc/76/43/22/892764322.db2.gz POBIEKGXBKVDOJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)C1 ZINC001483424298 892764331 /nfs/dbraw/zinc/76/43/31/892764331.db2.gz POBIEKGXBKVDOJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)C1 ZINC001483424298 892764340 /nfs/dbraw/zinc/76/43/40/892764340.db2.gz POBIEKGXBKVDOJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495377 892767114 /nfs/dbraw/zinc/76/71/14/892767114.db2.gz YAPCQRAXRGEHLS-UHFFFAOYSA-N 2 2 296.331 -1.415 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001484232133 892819014 /nfs/dbraw/zinc/81/90/14/892819014.db2.gz SVDSWYRTBZMXMK-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001484232133 892819034 /nfs/dbraw/zinc/81/90/34/892819034.db2.gz SVDSWYRTBZMXMK-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001484295137 892843103 /nfs/dbraw/zinc/84/31/03/892843103.db2.gz LSYCYTVCQCZIFM-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001484295137 892843124 /nfs/dbraw/zinc/84/31/24/892843124.db2.gz LSYCYTVCQCZIFM-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001484302412 892846881 /nfs/dbraw/zinc/84/68/81/892846881.db2.gz HTEKRGXHLWMYKJ-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001484302412 892846894 /nfs/dbraw/zinc/84/68/94/892846894.db2.gz HTEKRGXHLWMYKJ-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)CC[NH2+]CCO ZINC001484488459 892869700 /nfs/dbraw/zinc/86/97/00/892869700.db2.gz ZBDNZWCWEOBFDX-GFCCVEGCSA-N 2 2 296.371 -1.152 20 0 CAADLP CNC(=O)C[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001484495412 892870821 /nfs/dbraw/zinc/87/08/21/892870821.db2.gz LSTADYMHRJOXLA-UHFFFAOYSA-N 2 2 283.332 -1.891 20 0 CAADLP CC[N@H+](C)CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485422987 892931147 /nfs/dbraw/zinc/93/11/47/892931147.db2.gz YTHDENFBJGOQJR-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP CC[N@@H+](C)CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001485422987 892931157 /nfs/dbraw/zinc/93/11/57/892931157.db2.gz YTHDENFBJGOQJR-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001485424578 892932270 /nfs/dbraw/zinc/93/22/70/892932270.db2.gz MDKUYYSYYZIIGT-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001485424578 892932283 /nfs/dbraw/zinc/93/22/83/892932283.db2.gz MDKUYYSYYZIIGT-LBPRGKRZSA-N 2 2 285.388 -1.127 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485982988 892967785 /nfs/dbraw/zinc/96/77/85/892967785.db2.gz QTARMNGEJBSBLQ-MNOVXSKESA-N 2 2 286.376 -1.717 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485982988 892967795 /nfs/dbraw/zinc/96/77/95/892967795.db2.gz QTARMNGEJBSBLQ-MNOVXSKESA-N 2 2 286.376 -1.717 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485982989 892969477 /nfs/dbraw/zinc/96/94/77/892969477.db2.gz QTARMNGEJBSBLQ-QWRGUYRKSA-N 2 2 286.376 -1.717 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485982989 892969493 /nfs/dbraw/zinc/96/94/93/892969493.db2.gz QTARMNGEJBSBLQ-QWRGUYRKSA-N 2 2 286.376 -1.717 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001486010701 892982371 /nfs/dbraw/zinc/98/23/71/892982371.db2.gz MOMKOVLYNDPJTE-VXGBXAGGSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486011059 892982753 /nfs/dbraw/zinc/98/27/53/892982753.db2.gz PPZQTAPVYRTSGM-GHMZBOCLSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001486010700 892982794 /nfs/dbraw/zinc/98/27/94/892982794.db2.gz MOMKOVLYNDPJTE-RYUDHWBXSA-N 2 2 296.371 -1.105 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001486019438 892987166 /nfs/dbraw/zinc/98/71/66/892987166.db2.gz NFDYMQQQIUCANU-SNVBAGLBSA-N 2 2 297.359 -1.835 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001486055872 893002581 /nfs/dbraw/zinc/00/25/81/893002581.db2.gz NFQMZAJKMRIHPN-SNVBAGLBSA-N 2 2 297.359 -1.537 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001486055871 893003334 /nfs/dbraw/zinc/00/33/34/893003334.db2.gz NFQMZAJKMRIHPN-JTQLQIEISA-N 2 2 297.359 -1.537 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001486055085 893005405 /nfs/dbraw/zinc/00/54/05/893005405.db2.gz CCXCZGHPLMUDFL-PSASIEDQSA-N 2 2 270.333 -1.292 20 0 CAADLP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486065118 893007907 /nfs/dbraw/zinc/00/79/07/893007907.db2.gz FMVWLWSTHNNTRP-VHSXEESVSA-N 2 2 283.332 -1.786 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001486060910 893011212 /nfs/dbraw/zinc/01/12/12/893011212.db2.gz DDSNCDLJJHBBAB-SNVBAGLBSA-N 2 2 272.349 -2.105 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001486307226 893046816 /nfs/dbraw/zinc/04/68/16/893046816.db2.gz OLNCTVZBIKIGGE-VHSXEESVSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486304441 893048258 /nfs/dbraw/zinc/04/82/58/893048258.db2.gz LKJHKSMKUKJILT-JQWIXIFHSA-N 2 2 284.360 -1.011 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486304441 893048276 /nfs/dbraw/zinc/04/82/76/893048276.db2.gz LKJHKSMKUKJILT-JQWIXIFHSA-N 2 2 284.360 -1.011 20 0 CAADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001486349603 893061322 /nfs/dbraw/zinc/06/13/22/893061322.db2.gz GBNULFKEOKAIDJ-NSHDSACASA-N 2 2 270.333 -1.304 20 0 CAADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001486349603 893061345 /nfs/dbraw/zinc/06/13/45/893061345.db2.gz GBNULFKEOKAIDJ-NSHDSACASA-N 2 2 270.333 -1.304 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001488086139 893145716 /nfs/dbraw/zinc/14/57/16/893145716.db2.gz XQMZLGLYXGIFRG-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)CC(N)=O ZINC001490319450 893199148 /nfs/dbraw/zinc/19/91/48/893199148.db2.gz ZKBPKRUQGXSSKH-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)CC(N)=O ZINC001490319450 893199161 /nfs/dbraw/zinc/19/91/61/893199161.db2.gz ZKBPKRUQGXSSKH-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001490319450 893199181 /nfs/dbraw/zinc/19/91/81/893199181.db2.gz ZKBPKRUQGXSSKH-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001490319450 893199200 /nfs/dbraw/zinc/19/92/00/893199200.db2.gz ZKBPKRUQGXSSKH-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP NC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490743403 893217684 /nfs/dbraw/zinc/21/76/84/893217684.db2.gz ARDAVSVQYCYELW-SNVBAGLBSA-N 2 2 265.317 -1.147 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001491085453 893238664 /nfs/dbraw/zinc/23/86/64/893238664.db2.gz NBGNOQLHBHXXKP-DTORHVGOSA-N 2 2 294.315 -1.685 20 0 CAADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001491543664 893290411 /nfs/dbraw/zinc/29/04/11/893290411.db2.gz SWXAILFIEMFKFM-SECBINFHSA-N 2 2 296.331 -1.438 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001491636261 893301328 /nfs/dbraw/zinc/30/13/28/893301328.db2.gz DKZPHWXAFQYYIS-QMMMGPOBSA-N 2 2 296.331 -1.748 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001491640574 893302857 /nfs/dbraw/zinc/30/28/57/893302857.db2.gz UQXWQXISLXEAEC-BDAKNGLRSA-N 2 2 267.333 -1.069 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001491640577 893303807 /nfs/dbraw/zinc/30/38/07/893303807.db2.gz UQXWQXISLXEAEC-IUCAKERBSA-N 2 2 267.333 -1.069 20 0 CAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)CC[NH+](C)C)nc1=O ZINC001492401957 893344856 /nfs/dbraw/zinc/34/48/56/893344856.db2.gz IJGWTVCHMNZILV-UHFFFAOYSA-N 2 2 284.364 -1.392 20 0 CAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)nc1=O ZINC001492401957 893344873 /nfs/dbraw/zinc/34/48/73/893344873.db2.gz IJGWTVCHMNZILV-UHFFFAOYSA-N 2 2 284.364 -1.392 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001492865994 893360799 /nfs/dbraw/zinc/36/07/99/893360799.db2.gz FMALBBGJIGUPNH-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001492865994 893360813 /nfs/dbraw/zinc/36/08/13/893360813.db2.gz FMALBBGJIGUPNH-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CC(=O)NC)C1 ZINC001492865994 893360829 /nfs/dbraw/zinc/36/08/29/893360829.db2.gz FMALBBGJIGUPNH-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC)C1 ZINC001492865994 893360837 /nfs/dbraw/zinc/36/08/37/893360837.db2.gz FMALBBGJIGUPNH-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001492865993 893361733 /nfs/dbraw/zinc/36/17/33/893361733.db2.gz FMALBBGJIGUPNH-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001492865993 893361752 /nfs/dbraw/zinc/36/17/52/893361752.db2.gz FMALBBGJIGUPNH-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC)C1 ZINC001492865993 893361771 /nfs/dbraw/zinc/36/17/71/893361771.db2.gz FMALBBGJIGUPNH-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC)C1 ZINC001492865993 893361787 /nfs/dbraw/zinc/36/17/87/893361787.db2.gz FMALBBGJIGUPNH-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001492949451 893366159 /nfs/dbraw/zinc/36/61/59/893366159.db2.gz QFXWGHGVYBBMFI-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001492949451 893366180 /nfs/dbraw/zinc/36/61/80/893366180.db2.gz QFXWGHGVYBBMFI-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCNC1=O ZINC001492949451 893366194 /nfs/dbraw/zinc/36/61/94/893366194.db2.gz QFXWGHGVYBBMFI-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCNC1=O ZINC001492949451 893366209 /nfs/dbraw/zinc/36/62/09/893366209.db2.gz QFXWGHGVYBBMFI-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949449 893368217 /nfs/dbraw/zinc/36/82/17/893368217.db2.gz QFXWGHGVYBBMFI-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949449 893368236 /nfs/dbraw/zinc/36/82/36/893368236.db2.gz QFXWGHGVYBBMFI-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949449 893368257 /nfs/dbraw/zinc/36/82/57/893368257.db2.gz QFXWGHGVYBBMFI-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001492949449 893368275 /nfs/dbraw/zinc/36/82/75/893368275.db2.gz QFXWGHGVYBBMFI-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001493708330 893414445 /nfs/dbraw/zinc/41/44/45/893414445.db2.gz GXKQYGQRMHAKAT-JTQLQIEISA-N 2 2 265.317 -1.111 20 0 CAADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001493708331 893415740 /nfs/dbraw/zinc/41/57/40/893415740.db2.gz GXKQYGQRMHAKAT-SNVBAGLBSA-N 2 2 265.317 -1.111 20 0 CAADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001495062967 893473264 /nfs/dbraw/zinc/47/32/64/893473264.db2.gz FQTDWVGPRMFJHX-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245404 893511561 /nfs/dbraw/zinc/51/15/61/893511561.db2.gz UCKWXECZHPZCMU-VIFPVBQESA-N 2 2 296.331 -1.486 20 0 CAADLP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001496835520 893537667 /nfs/dbraw/zinc/53/76/67/893537667.db2.gz LFGOBTDTMXWXQR-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001496835520 893537683 /nfs/dbraw/zinc/53/76/83/893537683.db2.gz LFGOBTDTMXWXQR-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496999668 893577327 /nfs/dbraw/zinc/57/73/27/893577327.db2.gz XLXQMEADSFNNCL-IVZWLZJFSA-N 2 2 295.343 -1.674 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496999669 893577443 /nfs/dbraw/zinc/57/74/43/893577443.db2.gz XLXQMEADSFNNCL-OPRDCNLKSA-N 2 2 295.343 -1.674 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001497018312 893580694 /nfs/dbraw/zinc/58/06/94/893580694.db2.gz ROBYTVFTEIQYMD-VIFPVBQESA-N 2 2 291.311 -1.500 20 0 CAADLP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497062123 893593654 /nfs/dbraw/zinc/59/36/54/893593654.db2.gz DNRVIJHBSQNODE-GFCCVEGCSA-N 2 2 292.343 -1.047 20 0 CAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497065227 893596590 /nfs/dbraw/zinc/59/65/90/893596590.db2.gz TUIQNDUEJHMXPK-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497064884 893597478 /nfs/dbraw/zinc/59/74/78/893597478.db2.gz RKUPCJSFIFMYBK-LLVKDONJSA-N 2 2 295.343 -1.749 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001497067396 893597769 /nfs/dbraw/zinc/59/77/69/893597769.db2.gz GBXOYFASNAXWEO-WCBMZHEXSA-N 2 2 283.332 -1.860 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001497067396 893597773 /nfs/dbraw/zinc/59/77/73/893597773.db2.gz GBXOYFASNAXWEO-WCBMZHEXSA-N 2 2 283.332 -1.860 20 0 CAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497082032 893601811 /nfs/dbraw/zinc/60/18/11/893601811.db2.gz VJNIHIQOSFTVAT-VHSXEESVSA-N 2 2 295.343 -1.750 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001497091034 893602205 /nfs/dbraw/zinc/60/22/05/893602205.db2.gz DGOQFGQEUXMWGA-JTQLQIEISA-N 2 2 256.306 -1.978 20 0 CAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497082030 893602259 /nfs/dbraw/zinc/60/22/59/893602259.db2.gz VJNIHIQOSFTVAT-NXEZZACHSA-N 2 2 295.343 -1.750 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497079815 893602628 /nfs/dbraw/zinc/60/26/28/893602628.db2.gz GASIRIWRPXJHFT-VIFPVBQESA-N 2 2 283.332 -1.893 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497082420 893602666 /nfs/dbraw/zinc/60/26/66/893602666.db2.gz XSKZAWRVLRWDQX-IUCAKERBSA-N 2 2 256.306 -1.600 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001497103411 893604722 /nfs/dbraw/zinc/60/47/22/893604722.db2.gz COYYMDIQFGUEFU-GXSJLCMTSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001497127489 893607624 /nfs/dbraw/zinc/60/76/24/893607624.db2.gz VFGSKRSJDAVLDZ-WDEREUQCSA-N 2 2 297.359 -1.574 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001497126707 893608306 /nfs/dbraw/zinc/60/83/06/893608306.db2.gz OVKDBZHOEVCBAC-IUCAKERBSA-N 2 2 269.305 -2.176 20 0 CAADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001497304379 893617780 /nfs/dbraw/zinc/61/77/80/893617780.db2.gz NWCAEGDLEGTUSR-SECBINFHSA-N 2 2 267.333 -1.068 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497798711 893635370 /nfs/dbraw/zinc/63/53/70/893635370.db2.gz GBEBXLMSSOGFPH-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497798711 893635379 /nfs/dbraw/zinc/63/53/79/893635379.db2.gz GBEBXLMSSOGFPH-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498025587 893649778 /nfs/dbraw/zinc/64/97/78/893649778.db2.gz MEFOSAPECHEDQT-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498025587 893649779 /nfs/dbraw/zinc/64/97/79/893649779.db2.gz MEFOSAPECHEDQT-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001498148920 893660953 /nfs/dbraw/zinc/66/09/53/893660953.db2.gz XJWHOQSLSPWDEO-JGVFFNPUSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001501496844 893808956 /nfs/dbraw/zinc/80/89/56/893808956.db2.gz JNYAFDKIIAPHSK-SECBINFHSA-N 2 2 283.332 -1.764 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001502096753 893839869 /nfs/dbraw/zinc/83/98/69/893839869.db2.gz DLSOCHHKEPUGQR-SNVBAGLBSA-N 2 2 281.316 -1.815 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001502066918 893841858 /nfs/dbraw/zinc/84/18/58/893841858.db2.gz REGZNJSJQVVGGH-LLVKDONJSA-N 2 2 295.343 -1.425 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001507183972 893977497 /nfs/dbraw/zinc/97/74/97/893977497.db2.gz VXQMLRSCTZPPIS-ZJUUUORDSA-N 2 2 263.313 -1.647 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001507183972 893977508 /nfs/dbraw/zinc/97/75/08/893977508.db2.gz VXQMLRSCTZPPIS-ZJUUUORDSA-N 2 2 263.313 -1.647 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507202954 893991002 /nfs/dbraw/zinc/99/10/02/893991002.db2.gz PTVHCUOQVJDGNW-VIFPVBQESA-N 2 2 291.311 -1.272 20 0 CAADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507219743 893998814 /nfs/dbraw/zinc/99/88/14/893998814.db2.gz FXQBGLZWQIIDET-MNOVXSKESA-N 2 2 270.333 -1.279 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507261775 894031357 /nfs/dbraw/zinc/03/13/57/894031357.db2.gz UWBOYDMSJPIKFE-MNOVXSKESA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507261775 894031377 /nfs/dbraw/zinc/03/13/77/894031377.db2.gz UWBOYDMSJPIKFE-MNOVXSKESA-N 2 2 296.375 -1.667 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001507266970 894033376 /nfs/dbraw/zinc/03/33/76/894033376.db2.gz JWCNQXRIUWFCBG-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507261776 894033953 /nfs/dbraw/zinc/03/39/53/894033953.db2.gz UWBOYDMSJPIKFE-QWRGUYRKSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507261776 894033972 /nfs/dbraw/zinc/03/39/72/894033972.db2.gz UWBOYDMSJPIKFE-QWRGUYRKSA-N 2 2 296.375 -1.667 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)CCc1[nH+]ccn1C ZINC001507492027 894056560 /nfs/dbraw/zinc/05/65/60/894056560.db2.gz ATLQRKLSPWEFLR-LLVKDONJSA-N 2 2 284.360 -1.246 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)Cc1c[nH+]cn1C ZINC001507544450 894065024 /nfs/dbraw/zinc/06/50/24/894065024.db2.gz ZRKYWTBVGLXSBC-NSHDSACASA-N 2 2 270.333 -1.636 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507565601 894066526 /nfs/dbraw/zinc/06/65/26/894066526.db2.gz DBGCWRGBSLIWBI-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)Cc1c[nH+]cn1C ZINC001507544449 894067027 /nfs/dbraw/zinc/06/70/27/894067027.db2.gz ZRKYWTBVGLXSBC-LLVKDONJSA-N 2 2 270.333 -1.636 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507565599 894068023 /nfs/dbraw/zinc/06/80/23/894068023.db2.gz DBGCWRGBSLIWBI-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001507547230 894068304 /nfs/dbraw/zinc/06/83/04/894068304.db2.gz LKBCEVSFKQYNGN-VHSXEESVSA-N 2 2 297.359 -1.457 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507549558 894069583 /nfs/dbraw/zinc/06/95/83/894069583.db2.gz ZHGRUIDYGCFAQH-JTQLQIEISA-N 2 2 297.359 -1.584 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001507547232 894070199 /nfs/dbraw/zinc/07/01/99/894070199.db2.gz LKBCEVSFKQYNGN-ZJUUUORDSA-N 2 2 297.359 -1.457 20 0 CAADLP C[C@@H](C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1=O ZINC001515512640 894185903 /nfs/dbraw/zinc/18/59/03/894185903.db2.gz APSRBDHEEJMZCW-UXCLJVHYSA-N 2 2 266.345 -1.517 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515355931 894186662 /nfs/dbraw/zinc/18/66/62/894186662.db2.gz AALIYUVOLSSJJG-AVGNSLFASA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1CN(C)CC[N@H+]1C ZINC001515355931 894186669 /nfs/dbraw/zinc/18/66/69/894186669.db2.gz AALIYUVOLSSJJG-AVGNSLFASA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H]([C@H](C)NC(=O)C[C@@H](O)C[NH3+])[NH+]1CCOCC1 ZINC001521477542 894207795 /nfs/dbraw/zinc/20/77/95/894207795.db2.gz RXQZGVMOMVVANK-HBNTYKKESA-N 2 2 259.350 -1.079 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)CNCC[NH3+] ZINC001521476932 894209401 /nfs/dbraw/zinc/20/94/01/894209401.db2.gz OYJMDPDPONFZLE-UHFFFAOYSA-N 2 2 258.366 -1.238 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)CNCC[NH3+] ZINC001521476932 894209420 /nfs/dbraw/zinc/20/94/20/894209420.db2.gz OYJMDPDPONFZLE-UHFFFAOYSA-N 2 2 258.366 -1.238 20 0 CAADLP C[C@@H](CNC(=O)[C@H]([NH3+])CO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521907886 894211836 /nfs/dbraw/zinc/21/18/36/894211836.db2.gz UJSUDEIAKTXIFO-UKKRHICBSA-N 2 2 259.350 -1.080 20 0 CAADLP C[C@@H](CNC(=O)[C@H]([NH3+])CO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521907886 894211851 /nfs/dbraw/zinc/21/18/51/894211851.db2.gz UJSUDEIAKTXIFO-UKKRHICBSA-N 2 2 259.350 -1.080 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548554506 894486767 /nfs/dbraw/zinc/48/67/67/894486767.db2.gz VSYMGQCAHGAPFK-NWDGAFQWSA-N 2 2 270.377 -1.273 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC001548731104 894496867 /nfs/dbraw/zinc/49/68/67/894496867.db2.gz UBVBOOMILAAXEV-UPJWGTAASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC001548731104 894496874 /nfs/dbraw/zinc/49/68/74/894496874.db2.gz UBVBOOMILAAXEV-UPJWGTAASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001548731104 894496882 /nfs/dbraw/zinc/49/68/82/894496882.db2.gz UBVBOOMILAAXEV-UPJWGTAASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001548731104 894496891 /nfs/dbraw/zinc/49/68/91/894496891.db2.gz UBVBOOMILAAXEV-UPJWGTAASA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001548716171 894498060 /nfs/dbraw/zinc/49/80/60/894498060.db2.gz IEXHKZVULJROKR-RDBSUJKOSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001548716171 894498066 /nfs/dbraw/zinc/49/80/66/894498066.db2.gz IEXHKZVULJROKR-RDBSUJKOSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001548716171 894498072 /nfs/dbraw/zinc/49/80/72/894498072.db2.gz IEXHKZVULJROKR-RDBSUJKOSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001548716171 894498079 /nfs/dbraw/zinc/49/80/79/894498079.db2.gz IEXHKZVULJROKR-RDBSUJKOSA-N 2 2 296.415 -1.100 20 0 CAADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC001549043871 894506587 /nfs/dbraw/zinc/50/65/87/894506587.db2.gz REHGZOHOTYUWCU-GHMZBOCLSA-N 2 2 279.344 -1.119 20 0 CAADLP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC001550116741 894531795 /nfs/dbraw/zinc/53/17/95/894531795.db2.gz RJKGJUISIIWERY-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP [NH3+]CC12CC(NC(=O)CN3CC[NH2+]CC3=O)(C1)C2 ZINC001550120518 894532340 /nfs/dbraw/zinc/53/23/40/894532340.db2.gz RVLQNZNCVBIIQK-UHFFFAOYSA-N 2 2 252.318 -1.584 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550192249 894533722 /nfs/dbraw/zinc/53/37/22/894533722.db2.gz FWQWVINTXCIQJC-NEPJUHHUSA-N 2 2 270.377 -1.192 20 0 CAADLP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](CCO)CC1 ZINC001552088874 894543369 /nfs/dbraw/zinc/54/33/69/894543369.db2.gz WZIGSUDCPWIKBF-NSHDSACASA-N 2 2 294.359 -1.437 20 0 CAADLP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH+](CCO)CC1 ZINC001552088873 894544624 /nfs/dbraw/zinc/54/46/24/894544624.db2.gz WZIGSUDCPWIKBF-LLVKDONJSA-N 2 2 294.359 -1.437 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553408981 894564074 /nfs/dbraw/zinc/56/40/74/894564074.db2.gz KJZWGESVWXDDJK-NOOOWODRSA-N 2 2 269.345 -1.047 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553408981 894564084 /nfs/dbraw/zinc/56/40/84/894564084.db2.gz KJZWGESVWXDDJK-NOOOWODRSA-N 2 2 269.345 -1.047 20 0 CAADLP O=C(C[C@H]1C[NH2+]CCO1)NCC[NH+]1CCOCC1 ZINC000091299125 230163963 /nfs/dbraw/zinc/16/39/63/230163963.db2.gz POPHOISHVJHPKN-NSHDSACASA-N 2 2 257.334 -1.187 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@@H+]1CCOC ZINC000353702358 529374549 /nfs/dbraw/zinc/37/45/49/529374549.db2.gz KPXISBKFSZVIEE-MNOVXSKESA-N 2 2 286.376 -1.242 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@H+]1CCOC ZINC000353702358 529374553 /nfs/dbraw/zinc/37/45/53/529374553.db2.gz KPXISBKFSZVIEE-MNOVXSKESA-N 2 2 286.376 -1.242 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000353727288 529374564 /nfs/dbraw/zinc/37/45/64/529374564.db2.gz ULLVDGUJELPTEM-GRYCIOLGSA-N 2 2 298.387 -1.242 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000262277428 230226105 /nfs/dbraw/zinc/22/61/05/230226105.db2.gz LFUUUZBJPOZUQI-DCAQKATOSA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000262277428 230226109 /nfs/dbraw/zinc/22/61/09/230226109.db2.gz LFUUUZBJPOZUQI-DCAQKATOSA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262271801 230226385 /nfs/dbraw/zinc/22/63/85/230226385.db2.gz KNMQVVTZXDKZPH-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000262277410 230226078 /nfs/dbraw/zinc/22/60/78/230226078.db2.gz LFUUUZBJPOZUQI-AXFHLTTASA-N 2 2 259.350 -1.126 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000262277410 230226080 /nfs/dbraw/zinc/22/60/80/230226080.db2.gz LFUUUZBJPOZUQI-AXFHLTTASA-N 2 2 259.350 -1.126 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000262428215 230228544 /nfs/dbraw/zinc/22/85/44/230228544.db2.gz SPCVLQXIRHGDGJ-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423059449 230267110 /nfs/dbraw/zinc/26/71/10/230267110.db2.gz LRSWSCBPSUNFOB-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000353727289 529376832 /nfs/dbraw/zinc/37/68/32/529376832.db2.gz ULLVDGUJELPTEM-IJLUTSLNSA-N 2 2 298.387 -1.242 20 0 CAADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[NH2+]CCO1 ZINC000424181937 230278913 /nfs/dbraw/zinc/27/89/13/230278913.db2.gz SDCXDRNRNCIANU-NWDGAFQWSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[NH2+]CCO1 ZINC000424181937 230278919 /nfs/dbraw/zinc/27/89/19/230278919.db2.gz SDCXDRNRNCIANU-NWDGAFQWSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000430735210 230306651 /nfs/dbraw/zinc/30/66/51/230306651.db2.gz PNYQOILUYZMBAA-NSHDSACASA-N 2 2 266.345 -1.275 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000430735210 230306654 /nfs/dbraw/zinc/30/66/54/230306654.db2.gz PNYQOILUYZMBAA-NSHDSACASA-N 2 2 266.345 -1.275 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCSCC1 ZINC000430693830 230306951 /nfs/dbraw/zinc/30/69/51/230306951.db2.gz IGMFHOIHGGBXAC-UHFFFAOYSA-N 2 2 286.401 -1.417 20 0 CAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000430792452 230307275 /nfs/dbraw/zinc/30/72/75/230307275.db2.gz ROBPAUYVBKKCGR-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH2+]CC1=O ZINC000430677256 230309143 /nfs/dbraw/zinc/30/91/43/230309143.db2.gz FZDBNMWUQJOPPS-SNVBAGLBSA-N 2 2 265.317 -1.180 20 0 CAADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430731765 230309199 /nfs/dbraw/zinc/30/91/99/230309199.db2.gz XSEWUCTYVIITML-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430731765 230309203 /nfs/dbraw/zinc/30/92/03/230309203.db2.gz XSEWUCTYVIITML-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000432511125 230314945 /nfs/dbraw/zinc/31/49/45/230314945.db2.gz BUJRDOPKFQKTNS-WHOHXGKFSA-N 2 2 271.361 -1.065 20 0 CAADLP [NH3+]C1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000431065660 230312794 /nfs/dbraw/zinc/31/27/94/230312794.db2.gz ORGPWCXOHLWLCA-UHFFFAOYSA-N 2 2 298.387 -1.178 20 0 CAADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756944 230330307 /nfs/dbraw/zinc/33/03/07/230330307.db2.gz LFLOWPLYIGAKJY-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756944 230330312 /nfs/dbraw/zinc/33/03/12/230330312.db2.gz LFLOWPLYIGAKJY-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000447442960 230341456 /nfs/dbraw/zinc/34/14/56/230341456.db2.gz TUAHWOVJYAVYAT-SNVBAGLBSA-N 2 2 286.376 -1.242 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447316065 230341870 /nfs/dbraw/zinc/34/18/70/230341870.db2.gz VRIWIVOCBGOQJJ-FOPUMGAHSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447316065 230341873 /nfs/dbraw/zinc/34/18/73/230341873.db2.gz VRIWIVOCBGOQJJ-FOPUMGAHSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447316065 230341875 /nfs/dbraw/zinc/34/18/75/230341875.db2.gz VRIWIVOCBGOQJJ-FOPUMGAHSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2C[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447316065 230341878 /nfs/dbraw/zinc/34/18/78/230341878.db2.gz VRIWIVOCBGOQJJ-FOPUMGAHSA-N 2 2 258.362 -1.028 20 0 CAADLP C[NH+](C)C/C=C/C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000491895199 230361359 /nfs/dbraw/zinc/36/13/59/230361359.db2.gz VVPPCZKGZYIZIV-ONEGZZNKSA-N 2 2 298.387 -1.331 20 0 CAADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000493974411 230363183 /nfs/dbraw/zinc/36/31/83/230363183.db2.gz BDQDIGVAQIARJY-WDEREUQCSA-N 2 2 286.376 -1.466 20 0 CAADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000493974410 230363425 /nfs/dbraw/zinc/36/34/25/230363425.db2.gz BDQDIGVAQIARJY-QWRGUYRKSA-N 2 2 286.376 -1.466 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000154942213 529781377 /nfs/dbraw/zinc/78/13/77/529781377.db2.gz RMQVXEKYQZMKDE-LLVKDONJSA-N 2 2 257.334 -1.547 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000154942213 529781379 /nfs/dbraw/zinc/78/13/79/529781379.db2.gz RMQVXEKYQZMKDE-LLVKDONJSA-N 2 2 257.334 -1.547 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000245462721 529781849 /nfs/dbraw/zinc/78/18/49/529781849.db2.gz NZDUFALUKRFQDJ-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245462721 529781851 /nfs/dbraw/zinc/78/18/51/529781851.db2.gz NZDUFALUKRFQDJ-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245462721 529781853 /nfs/dbraw/zinc/78/18/53/529781853.db2.gz NZDUFALUKRFQDJ-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245462721 529781855 /nfs/dbraw/zinc/78/18/55/529781855.db2.gz NZDUFALUKRFQDJ-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419295607 529783305 /nfs/dbraw/zinc/78/33/05/529783305.db2.gz CKPUPRJDWMSMJU-NSHDSACASA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419295607 529783307 /nfs/dbraw/zinc/78/33/07/529783307.db2.gz CKPUPRJDWMSMJU-NSHDSACASA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430681677 529803482 /nfs/dbraw/zinc/80/34/82/529803482.db2.gz FLNDFOWSOFWYIV-SNVBAGLBSA-N 2 2 254.334 -1.514 20 0 CAADLP C[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430681677 529803483 /nfs/dbraw/zinc/80/34/83/529803483.db2.gz FLNDFOWSOFWYIV-SNVBAGLBSA-N 2 2 254.334 -1.514 20 0 CAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000428210727 529827989 /nfs/dbraw/zinc/82/79/89/529827989.db2.gz UEEPTUGOUHAUIW-JTQLQIEISA-N 2 2 270.333 -2.135 20 0 CAADLP C[N@H+](CC(=O)N1CCNC(=O)C1)CC(C)(C)C[NH3+] ZINC000430564337 529828032 /nfs/dbraw/zinc/82/80/32/529828032.db2.gz ZBQSPEOHMITYFJ-UHFFFAOYSA-N 2 2 256.350 -1.139 20 0 CAADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)CC(C)(C)C[NH3+] ZINC000430564337 529828034 /nfs/dbraw/zinc/82/80/34/529828034.db2.gz ZBQSPEOHMITYFJ-UHFFFAOYSA-N 2 2 256.350 -1.139 20 0 CAADLP CN(CC(C)(C)C[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000429546863 529844695 /nfs/dbraw/zinc/84/46/95/529844695.db2.gz IBAMWXYUZPSUMS-UHFFFAOYSA-N 2 2 256.350 -1.139 20 0 CAADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000094298681 529870841 /nfs/dbraw/zinc/87/08/41/529870841.db2.gz GRYSJZCYSAWZMO-UHFFFAOYSA-N 2 2 277.390 -1.215 20 0 CAADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000094298681 529870843 /nfs/dbraw/zinc/87/08/43/529870843.db2.gz GRYSJZCYSAWZMO-UHFFFAOYSA-N 2 2 277.390 -1.215 20 0 CAADLP C[NH2+]CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262350408 529959663 /nfs/dbraw/zinc/95/96/63/529959663.db2.gz IYXNFHHYWGKTLR-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH2+]C[C@@H](C)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000420192021 529980423 /nfs/dbraw/zinc/98/04/23/529980423.db2.gz HYPJLIOTXNVTPD-SNVBAGLBSA-N 2 2 297.407 -1.371 20 0 CAADLP C[NH2+]C[C@@H](C)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000420192021 529980426 /nfs/dbraw/zinc/98/04/26/529980426.db2.gz HYPJLIOTXNVTPD-SNVBAGLBSA-N 2 2 297.407 -1.371 20 0 CAADLP C[NH2+]C[C@@H](C)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000420192021 529980427 /nfs/dbraw/zinc/98/04/27/529980427.db2.gz HYPJLIOTXNVTPD-SNVBAGLBSA-N 2 2 297.407 -1.371 20 0 CAADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423602933 529988615 /nfs/dbraw/zinc/98/86/15/529988615.db2.gz HQYQEAREBYOXDR-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000125301701 530053067 /nfs/dbraw/zinc/05/30/67/530053067.db2.gz FQQGMOXISWNEMV-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP C[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000125301701 530053068 /nfs/dbraw/zinc/05/30/68/530053068.db2.gz FQQGMOXISWNEMV-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCN2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000496229447 530067181 /nfs/dbraw/zinc/06/71/81/530067181.db2.gz SRWOUXUZQSUAIX-JTQLQIEISA-N 2 2 270.333 -1.070 20 0 CAADLP C[N@H+]1CCN(C(=O)CCN2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000496229447 530067182 /nfs/dbraw/zinc/06/71/82/530067182.db2.gz SRWOUXUZQSUAIX-JTQLQIEISA-N 2 2 270.333 -1.070 20 0 CAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000429679358 530067486 /nfs/dbraw/zinc/06/74/86/530067486.db2.gz CCUPVJZOPSGZGH-UHFFFAOYSA-N 2 2 298.387 -1.713 20 0 CAADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000178700818 530067626 /nfs/dbraw/zinc/06/76/26/530067626.db2.gz HDZUZFOUFDUMGX-JTQLQIEISA-N 2 2 286.401 -1.071 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000093171873 530067938 /nfs/dbraw/zinc/06/79/38/530067938.db2.gz VTHVFJZUSTVNHI-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000093171873 530067939 /nfs/dbraw/zinc/06/79/39/530067939.db2.gz VTHVFJZUSTVNHI-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)CC1 ZINC000347304589 530068281 /nfs/dbraw/zinc/06/82/81/530068281.db2.gz KXIFMTMYSDZPMK-RYUDHWBXSA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447902415 530068326 /nfs/dbraw/zinc/06/83/26/530068326.db2.gz FCQNXFLWRPQWHU-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000330477159 290103852 /nfs/dbraw/zinc/10/38/52/290103852.db2.gz LQYHJPPSQCHTKU-RYUDHWBXSA-N 2 2 287.360 -1.874 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000330477159 290103855 /nfs/dbraw/zinc/10/38/55/290103855.db2.gz LQYHJPPSQCHTKU-RYUDHWBXSA-N 2 2 287.360 -1.874 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000673531858 545595677 /nfs/dbraw/zinc/59/56/77/545595677.db2.gz OOYKGBBLMBJGRP-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000673531858 545595682 /nfs/dbraw/zinc/59/56/82/545595682.db2.gz OOYKGBBLMBJGRP-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447902417 282894671 /nfs/dbraw/zinc/89/46/71/282894671.db2.gz FCQNXFLWRPQWHU-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000573935258 334979154 /nfs/dbraw/zinc/97/91/54/334979154.db2.gz UNNRMSFIWCPDPP-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000674718792 545599531 /nfs/dbraw/zinc/59/95/31/545599531.db2.gz DMFPCMVGZFRWET-LBPRGKRZSA-N 2 2 298.387 -1.451 20 0 CAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000674718792 545599534 /nfs/dbraw/zinc/59/95/34/545599534.db2.gz DMFPCMVGZFRWET-LBPRGKRZSA-N 2 2 298.387 -1.451 20 0 CAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000674718790 545599430 /nfs/dbraw/zinc/59/94/30/545599430.db2.gz DMFPCMVGZFRWET-GFCCVEGCSA-N 2 2 298.387 -1.451 20 0 CAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000674718790 545599435 /nfs/dbraw/zinc/59/94/35/545599435.db2.gz DMFPCMVGZFRWET-GFCCVEGCSA-N 2 2 298.387 -1.451 20 0 CAADLP C[C@H](CC[N@H+]1C[C@H](O)C[C@H](O)C1)[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000676253196 545602208 /nfs/dbraw/zinc/60/22/08/545602208.db2.gz YVUNEWBIMZXWHH-RGDJUOJXSA-N 2 2 288.388 -1.380 20 0 CAADLP C[C@H](CC[N@@H+]1C[C@H](O)C[C@H](O)C1)[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000676253196 545602212 /nfs/dbraw/zinc/60/22/12/545602212.db2.gz YVUNEWBIMZXWHH-RGDJUOJXSA-N 2 2 288.388 -1.380 20 0 CAADLP C[C@H](CC[NH+]1C[C@H](O)C[C@H](O)C1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000676253196 545602213 /nfs/dbraw/zinc/60/22/13/545602213.db2.gz YVUNEWBIMZXWHH-RGDJUOJXSA-N 2 2 288.388 -1.380 20 0 CAADLP C[C@H](CC[NH+]1C[C@H](O)C[C@H](O)C1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000676253196 545602217 /nfs/dbraw/zinc/60/22/17/545602217.db2.gz YVUNEWBIMZXWHH-RGDJUOJXSA-N 2 2 288.388 -1.380 20 0 CAADLP C[NH+]1CCN(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000676623878 545603523 /nfs/dbraw/zinc/60/35/23/545603523.db2.gz PIWFBGFKHPXLFD-CYBMUJFWSA-N 2 2 281.404 -1.650 20 0 CAADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000372683826 283318190 /nfs/dbraw/zinc/31/81/90/283318190.db2.gz WGGMQLXJEOGZPZ-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000372683826 283318192 /nfs/dbraw/zinc/31/81/92/283318192.db2.gz WGGMQLXJEOGZPZ-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000372683826 283318197 /nfs/dbraw/zinc/31/81/97/283318197.db2.gz WGGMQLXJEOGZPZ-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000372683826 283318199 /nfs/dbraw/zinc/31/81/99/283318199.db2.gz WGGMQLXJEOGZPZ-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001192580482 781949569 /nfs/dbraw/zinc/94/95/69/781949569.db2.gz FOBAZFNPIRPVTD-NXEZZACHSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001192580482 781949575 /nfs/dbraw/zinc/94/95/75/781949575.db2.gz FOBAZFNPIRPVTD-NXEZZACHSA-N 2 2 268.317 -1.504 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639540 781951107 /nfs/dbraw/zinc/95/11/07/781951107.db2.gz CNMHINWTEDUUKB-GMTAPVOTSA-N 2 2 282.344 -1.116 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639540 781951113 /nfs/dbraw/zinc/95/11/13/781951113.db2.gz CNMHINWTEDUUKB-GMTAPVOTSA-N 2 2 282.344 -1.116 20 0 CAADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976749 296055554 /nfs/dbraw/zinc/05/55/54/296055554.db2.gz XCBGSIYZRBJWIA-NEPJUHHUSA-N 2 2 269.345 -1.092 20 0 CAADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC000430566445 291332863 /nfs/dbraw/zinc/33/28/63/291332863.db2.gz CJQAARHYIIVZAN-GFCCVEGCSA-N 2 2 254.334 -1.338 20 0 CAADLP C[C@]1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261894731 291380654 /nfs/dbraw/zinc/38/06/54/291380654.db2.gz UQOAYALMWUIJOB-GWCFXTLKSA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@]1(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261894731 291380657 /nfs/dbraw/zinc/38/06/57/291380657.db2.gz UQOAYALMWUIJOB-GWCFXTLKSA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000432511127 296102525 /nfs/dbraw/zinc/10/25/25/296102525.db2.gz BUJRDOPKFQKTNS-WISYIIOYSA-N 2 2 271.361 -1.065 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1COC[C@H]1O ZINC000574337765 335011837 /nfs/dbraw/zinc/01/18/37/335011837.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000574337765 335011838 /nfs/dbraw/zinc/01/18/38/335011838.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000574337765 335011839 /nfs/dbraw/zinc/01/18/39/335011839.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 2 262.350 -1.383 20 0 CAADLP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976751 296137905 /nfs/dbraw/zinc/13/79/05/296137905.db2.gz XCBGSIYZRBJWIA-VXGBXAGGSA-N 2 2 269.345 -1.092 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)CN1CCOCC1)C1CC1 ZINC000583934843 372764477 /nfs/dbraw/zinc/76/44/77/372764477.db2.gz XYYOPZWGHAIUKY-TZMCWYRMSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)CN1CCOCC1)C1CC1 ZINC000583934843 372764487 /nfs/dbraw/zinc/76/44/87/372764487.db2.gz XYYOPZWGHAIUKY-TZMCWYRMSA-N 2 2 287.404 -1.276 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584005438 372792339 /nfs/dbraw/zinc/79/23/39/372792339.db2.gz UEDGJLURTICJOI-IEBDPFPHSA-N 2 2 266.345 -1.103 20 0 CAADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584005438 372792344 /nfs/dbraw/zinc/79/23/44/372792344.db2.gz UEDGJLURTICJOI-IEBDPFPHSA-N 2 2 266.345 -1.103 20 0 CAADLP CC1(C)CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1CCO ZINC000643571184 372777600 /nfs/dbraw/zinc/77/76/00/372777600.db2.gz KHMIHRZFBAXESK-UHFFFAOYSA-N 2 2 298.387 -1.667 20 0 CAADLP CC1(C)CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1CCO ZINC000643571184 372777605 /nfs/dbraw/zinc/77/76/05/372777605.db2.gz KHMIHRZFBAXESK-UHFFFAOYSA-N 2 2 298.387 -1.667 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643590186 372780097 /nfs/dbraw/zinc/78/00/97/372780097.db2.gz BZBJRDCHTCNRMI-NEPJUHHUSA-N 2 2 280.372 -1.029 20 0 CAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000036190725 372782600 /nfs/dbraw/zinc/78/26/00/372782600.db2.gz WGTBLMBJFFSKRP-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399868304 372799564 /nfs/dbraw/zinc/79/95/64/372799564.db2.gz BBGOLCFXJSJJBK-VXGBXAGGSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399868304 372799572 /nfs/dbraw/zinc/79/95/72/372799572.db2.gz BBGOLCFXJSJJBK-VXGBXAGGSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399868304 372799577 /nfs/dbraw/zinc/79/95/77/372799577.db2.gz BBGOLCFXJSJJBK-VXGBXAGGSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399868304 372799585 /nfs/dbraw/zinc/79/95/85/372799585.db2.gz BBGOLCFXJSJJBK-VXGBXAGGSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399868300 372800722 /nfs/dbraw/zinc/80/07/22/372800722.db2.gz BBGOLCFXJSJJBK-NEPJUHHUSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399868300 372800730 /nfs/dbraw/zinc/80/07/30/372800730.db2.gz BBGOLCFXJSJJBK-NEPJUHHUSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399868300 372800735 /nfs/dbraw/zinc/80/07/35/372800735.db2.gz BBGOLCFXJSJJBK-NEPJUHHUSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399868300 372800746 /nfs/dbraw/zinc/80/07/46/372800746.db2.gz BBGOLCFXJSJJBK-NEPJUHHUSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399868302 372800841 /nfs/dbraw/zinc/80/08/41/372800841.db2.gz BBGOLCFXJSJJBK-NWDGAFQWSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](O)C1 ZINC000399868302 372800851 /nfs/dbraw/zinc/80/08/51/372800851.db2.gz BBGOLCFXJSJJBK-NWDGAFQWSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000399868302 372800858 /nfs/dbraw/zinc/80/08/58/372800858.db2.gz BBGOLCFXJSJJBK-NWDGAFQWSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H](O)C1 ZINC000399868302 372800863 /nfs/dbraw/zinc/80/08/63/372800863.db2.gz BBGOLCFXJSJJBK-NWDGAFQWSA-N 2 2 262.350 -1.381 20 0 CAADLP Cn1nnc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000236128979 372802622 /nfs/dbraw/zinc/80/26/22/372802622.db2.gz RVMMERQADUOJIZ-VIFPVBQESA-N 2 2 267.337 -1.503 20 0 CAADLP Cn1nnc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000236128979 372802629 /nfs/dbraw/zinc/80/26/29/372802629.db2.gz RVMMERQADUOJIZ-VIFPVBQESA-N 2 2 267.337 -1.503 20 0 CAADLP Cn1nnc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000236128185 372802781 /nfs/dbraw/zinc/80/27/81/372802781.db2.gz RVMMERQADUOJIZ-SECBINFHSA-N 2 2 267.337 -1.503 20 0 CAADLP Cn1nnc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000236128185 372802783 /nfs/dbraw/zinc/80/27/83/372802783.db2.gz RVMMERQADUOJIZ-SECBINFHSA-N 2 2 267.337 -1.503 20 0 CAADLP C[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237107456 372806140 /nfs/dbraw/zinc/80/61/40/372806140.db2.gz IXQWQQGVQOIOHO-UHFFFAOYSA-N 2 2 268.361 -1.124 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000642728599 372807068 /nfs/dbraw/zinc/80/70/68/372807068.db2.gz KFMCOXVHBVGTAI-SDDRHHMPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728599 372807076 /nfs/dbraw/zinc/80/70/76/372807076.db2.gz KFMCOXVHBVGTAI-SDDRHHMPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094573155 372807513 /nfs/dbraw/zinc/80/75/13/372807513.db2.gz DSKAMYYXDNDAOL-MXWKQRLJSA-N 2 2 257.334 -1.061 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094573155 372807523 /nfs/dbraw/zinc/80/75/23/372807523.db2.gz DSKAMYYXDNDAOL-MXWKQRLJSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000642728597 372807900 /nfs/dbraw/zinc/80/79/00/372807900.db2.gz KFMCOXVHBVGTAI-IJLUTSLNSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728597 372807906 /nfs/dbraw/zinc/80/79/06/372807906.db2.gz KFMCOXVHBVGTAI-IJLUTSLNSA-N 2 2 298.387 -1.358 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](C[NH3+])C1 ZINC000123160883 372808079 /nfs/dbraw/zinc/80/80/79/372808079.db2.gz JSYRDMCFIZYNLL-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](C[NH3+])C1 ZINC000123160883 372808081 /nfs/dbraw/zinc/80/80/81/372808081.db2.gz JSYRDMCFIZYNLL-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728603 372808986 /nfs/dbraw/zinc/80/89/86/372808986.db2.gz KFMCOXVHBVGTAI-WOPDTQHZSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728603 372808997 /nfs/dbraw/zinc/80/89/97/372808997.db2.gz KFMCOXVHBVGTAI-WOPDTQHZSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000642728644 372810250 /nfs/dbraw/zinc/81/02/50/372810250.db2.gz PDVMULYLUVIIHR-GRYCIOLGSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000642728644 372810252 /nfs/dbraw/zinc/81/02/52/372810252.db2.gz PDVMULYLUVIIHR-GRYCIOLGSA-N 2 2 298.387 -1.358 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCC[NH2+]C1 ZINC000238108012 372812663 /nfs/dbraw/zinc/81/26/63/372812663.db2.gz XKBDNUPZYABFAJ-SNVBAGLBSA-N 2 2 254.334 -1.466 20 0 CAADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000568090042 372834086 /nfs/dbraw/zinc/83/40/86/372834086.db2.gz AVLXYGRTESWVJT-UHFFFAOYSA-N 3 2 297.403 -1.828 20 0 CAADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000568090042 372834100 /nfs/dbraw/zinc/83/41/00/372834100.db2.gz AVLXYGRTESWVJT-UHFFFAOYSA-N 3 2 297.403 -1.828 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623849161 372852497 /nfs/dbraw/zinc/85/24/97/372852497.db2.gz XODPAUJEKONIEB-UHFFFAOYSA-N 2 2 294.363 -1.655 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623849161 372852501 /nfs/dbraw/zinc/85/25/01/372852501.db2.gz XODPAUJEKONIEB-UHFFFAOYSA-N 2 2 294.363 -1.655 20 0 CAADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(N)[nH+]c(N)n1 ZINC000624386448 372857197 /nfs/dbraw/zinc/85/71/97/372857197.db2.gz KMABOUGYENNHAH-VIFPVBQESA-N 3 2 282.396 -1.197 20 0 CAADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(N)[nH+]c(N)n1 ZINC000624386448 372857206 /nfs/dbraw/zinc/85/72/06/372857206.db2.gz KMABOUGYENNHAH-VIFPVBQESA-N 3 2 282.396 -1.197 20 0 CAADLP C[C@@H]1C[N@H+](CCNc2nc(N)[nH+]c(N)n2)[C@H](C)CO1 ZINC000624392520 372857318 /nfs/dbraw/zinc/85/73/18/372857318.db2.gz SUDPGBGWBQWLGZ-HTQZYQBOSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@@H]1C[N@@H+](CCNc2nc(N)[nH+]c(N)n2)[C@H](C)CO1 ZINC000624392520 372857323 /nfs/dbraw/zinc/85/73/23/372857323.db2.gz SUDPGBGWBQWLGZ-HTQZYQBOSA-N 2 2 267.337 -1.360 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000624392360 372857574 /nfs/dbraw/zinc/85/75/74/372857574.db2.gz PNHPYIZPFHGTQJ-UHFFFAOYSA-N 3 2 268.369 -1.586 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000624392360 372857581 /nfs/dbraw/zinc/85/75/81/372857581.db2.gz PNHPYIZPFHGTQJ-UHFFFAOYSA-N 3 2 268.369 -1.586 20 0 CAADLP COCC(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000518530749 372888225 /nfs/dbraw/zinc/88/82/25/372888225.db2.gz CVHQESYUASWBMP-SNVBAGLBSA-N 2 2 272.349 -1.808 20 0 CAADLP COCC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000518530749 372888227 /nfs/dbraw/zinc/88/82/27/372888227.db2.gz CVHQESYUASWBMP-SNVBAGLBSA-N 2 2 272.349 -1.808 20 0 CAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600711634 372893495 /nfs/dbraw/zinc/89/34/95/372893495.db2.gz SYIBLJKWABWQSD-UWVGGRQHSA-N 2 2 290.389 -1.878 20 0 CAADLP CN(C)S(=O)(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600711634 372893502 /nfs/dbraw/zinc/89/35/02/372893502.db2.gz SYIBLJKWABWQSD-UWVGGRQHSA-N 2 2 290.389 -1.878 20 0 CAADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000634749845 372882231 /nfs/dbraw/zinc/88/22/31/372882231.db2.gz GVJMHQGCMGVWGT-OKILXGFUSA-N 2 2 280.372 -1.124 20 0 CAADLP Nc1nc(N)[nH+]c(NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000623858411 372902790 /nfs/dbraw/zinc/90/27/90/372902790.db2.gz LEHVQOSAMXNLJL-MRVPVSSYSA-N 2 2 267.337 -1.623 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000643775731 372912438 /nfs/dbraw/zinc/91/24/38/372912438.db2.gz BMOXAKPYUXKARX-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000643775731 372912444 /nfs/dbraw/zinc/91/24/44/372912444.db2.gz BMOXAKPYUXKARX-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](CC(N)=O)C2)CC1 ZINC000626077649 372917846 /nfs/dbraw/zinc/91/78/46/372917846.db2.gz OBFWIMIUJGBTNJ-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](CC(N)=O)C2)CC1 ZINC000626077649 372917852 /nfs/dbraw/zinc/91/78/52/372917852.db2.gz OBFWIMIUJGBTNJ-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000642926279 372926013 /nfs/dbraw/zinc/92/60/13/372926013.db2.gz AEAOQTHDYSCSBW-GFCCVEGCSA-N 2 2 296.371 -1.602 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000579955954 372933013 /nfs/dbraw/zinc/93/30/13/372933013.db2.gz QDUCZWFVSVKCPD-NSHDSACASA-N 2 2 286.376 -1.371 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000579955954 372933020 /nfs/dbraw/zinc/93/30/20/372933020.db2.gz QDUCZWFVSVKCPD-NSHDSACASA-N 2 2 286.376 -1.371 20 0 CAADLP CNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564729620 372941948 /nfs/dbraw/zinc/94/19/48/372941948.db2.gz QANXKNVJJQASEL-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP CNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564729620 372941961 /nfs/dbraw/zinc/94/19/61/372941961.db2.gz QANXKNVJJQASEL-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP CNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564729624 372942245 /nfs/dbraw/zinc/94/22/45/372942245.db2.gz QANXKNVJJQASEL-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP CNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564729624 372942249 /nfs/dbraw/zinc/94/22/49/372942249.db2.gz QANXKNVJJQASEL-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081255244 372948800 /nfs/dbraw/zinc/94/88/00/372948800.db2.gz BOPMELCTOYWMSM-LBPRGKRZSA-N 2 2 298.387 -1.451 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081255244 372948803 /nfs/dbraw/zinc/94/88/03/372948803.db2.gz BOPMELCTOYWMSM-LBPRGKRZSA-N 2 2 298.387 -1.451 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000601004884 372967627 /nfs/dbraw/zinc/96/76/27/372967627.db2.gz CUAZNBVUPNYWFE-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCNC(=O)C1)C1CC1 ZINC000570510097 372997271 /nfs/dbraw/zinc/99/72/71/372997271.db2.gz RNLIAYCRBNUPOG-LBPRGKRZSA-N 2 2 270.377 -1.537 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCNC(=O)C1)C1CC1 ZINC000570510097 372997277 /nfs/dbraw/zinc/99/72/77/372997277.db2.gz RNLIAYCRBNUPOG-LBPRGKRZSA-N 2 2 270.377 -1.537 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643892 372999280 /nfs/dbraw/zinc/99/92/80/372999280.db2.gz BUSRCIAJDAQCSW-NWDGAFQWSA-N 3 2 295.387 -1.948 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643892 372999290 /nfs/dbraw/zinc/99/92/90/372999290.db2.gz BUSRCIAJDAQCSW-NWDGAFQWSA-N 3 2 295.387 -1.948 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643886 372999939 /nfs/dbraw/zinc/99/99/39/372999939.db2.gz BUSRCIAJDAQCSW-NEPJUHHUSA-N 3 2 295.387 -1.948 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643886 372999947 /nfs/dbraw/zinc/99/99/47/372999947.db2.gz BUSRCIAJDAQCSW-NEPJUHHUSA-N 3 2 295.387 -1.948 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000570632928 373000017 /nfs/dbraw/zinc/00/00/17/373000017.db2.gz LMCWKDUIALKLOG-SECBINFHSA-N 2 2 259.306 -1.675 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000570632928 373000026 /nfs/dbraw/zinc/00/00/26/373000026.db2.gz LMCWKDUIALKLOG-SECBINFHSA-N 2 2 259.306 -1.675 20 0 CAADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000574426983 335019067 /nfs/dbraw/zinc/01/90/67/335019067.db2.gz VUQYGKUDEQSYLV-QMMMGPOBSA-N 3 2 265.308 -1.135 20 0 CAADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[NH+](C)C ZINC000636318303 373005040 /nfs/dbraw/zinc/00/50/40/373005040.db2.gz SRBCEHMSCHEFAR-UHFFFAOYSA-N 2 2 256.350 -1.220 20 0 CAADLP CN1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000162539305 373009836 /nfs/dbraw/zinc/00/98/36/373009836.db2.gz WUQJYKJMAXBKPQ-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP CN1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000162539305 373009846 /nfs/dbraw/zinc/00/98/46/373009846.db2.gz WUQJYKJMAXBKPQ-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000162513568 373010136 /nfs/dbraw/zinc/01/01/36/373010136.db2.gz XZZGRYDYKUBQJT-GHMZBOCLSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000162513568 373010145 /nfs/dbraw/zinc/01/01/45/373010145.db2.gz XZZGRYDYKUBQJT-GHMZBOCLSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000569817553 372983222 /nfs/dbraw/zinc/98/32/22/372983222.db2.gz PIHMIRDGOUYWLS-LLVKDONJSA-N 2 2 283.376 -1.107 20 0 CAADLP C[N@H+]1CCN(C(=O)NCCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000569817553 372983229 /nfs/dbraw/zinc/98/32/29/372983229.db2.gz PIHMIRDGOUYWLS-LLVKDONJSA-N 2 2 283.376 -1.107 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107452 372987746 /nfs/dbraw/zinc/98/77/46/372987746.db2.gz LDRINWQLFLFACW-MNOVXSKESA-N 2 2 266.345 -1.244 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107452 372987753 /nfs/dbraw/zinc/98/77/53/372987753.db2.gz LDRINWQLFLFACW-MNOVXSKESA-N 2 2 266.345 -1.244 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107454 372988553 /nfs/dbraw/zinc/98/85/53/372988553.db2.gz LDRINWQLFLFACW-WDEREUQCSA-N 2 2 266.345 -1.244 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107454 372988557 /nfs/dbraw/zinc/98/85/57/372988557.db2.gz LDRINWQLFLFACW-WDEREUQCSA-N 2 2 266.345 -1.244 20 0 CAADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642994809 373020774 /nfs/dbraw/zinc/02/07/74/373020774.db2.gz FPCMZBVHZNDSBK-QMMMGPOBSA-N 2 2 278.303 -1.093 20 0 CAADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])C1 ZINC000642994809 373020781 /nfs/dbraw/zinc/02/07/81/373020781.db2.gz FPCMZBVHZNDSBK-QMMMGPOBSA-N 2 2 278.303 -1.093 20 0 CAADLP O=C(C[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000311265741 373042994 /nfs/dbraw/zinc/04/29/94/373042994.db2.gz HBDWCJLREREQSX-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000592546440 373074907 /nfs/dbraw/zinc/07/49/07/373074907.db2.gz AGDKWXWKAUVVMX-JTQLQIEISA-N 2 2 298.343 -2.218 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595658598 373116520 /nfs/dbraw/zinc/11/65/20/373116520.db2.gz FYYKJGLGVYENDG-UTUOFQBUSA-N 2 2 290.360 -1.154 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595658598 373116526 /nfs/dbraw/zinc/11/65/26/373116526.db2.gz FYYKJGLGVYENDG-UTUOFQBUSA-N 2 2 290.360 -1.154 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592960189 373085347 /nfs/dbraw/zinc/08/53/47/373085347.db2.gz ZPSJODLGYAWTIB-TUAOUCFPSA-N 2 2 299.371 -1.066 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)NC(N)=O)CC1=O ZINC000593052142 373087108 /nfs/dbraw/zinc/08/71/08/373087108.db2.gz NYSPUEDXXAOWJZ-UHFFFAOYSA-N 2 2 285.348 -1.723 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)NC(N)=O)CC1=O ZINC000593052142 373087119 /nfs/dbraw/zinc/08/71/19/373087119.db2.gz NYSPUEDXXAOWJZ-UHFFFAOYSA-N 2 2 285.348 -1.723 20 0 CAADLP COCCN(CC(=O)OC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593908000 373096139 /nfs/dbraw/zinc/09/61/39/373096139.db2.gz XZLJLBQAGSTZQY-JTQLQIEISA-N 2 2 275.349 -1.087 20 0 CAADLP CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876398 373104660 /nfs/dbraw/zinc/10/46/60/373104660.db2.gz XMCPNHXVPVNKEW-DCAQKATOSA-N 2 2 266.345 -1.149 20 0 CAADLP CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000594876398 373104668 /nfs/dbraw/zinc/10/46/68/373104668.db2.gz XMCPNHXVPVNKEW-DCAQKATOSA-N 2 2 266.345 -1.149 20 0 CAADLP CNS(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875146 373105080 /nfs/dbraw/zinc/10/50/80/373105080.db2.gz XXZCBSMHCPHSCI-UWVGGRQHSA-N 2 2 290.389 -1.831 20 0 CAADLP CNS(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875146 373105087 /nfs/dbraw/zinc/10/50/87/373105087.db2.gz XXZCBSMHCPHSCI-UWVGGRQHSA-N 2 2 290.389 -1.831 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCN2C1=O ZINC000594881525 373106688 /nfs/dbraw/zinc/10/66/88/373106688.db2.gz ZFAXFBVKPPPYFT-IWSPIJDZSA-N 2 2 288.298 -1.246 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCN2C1=O ZINC000594881524 373106813 /nfs/dbraw/zinc/10/68/13/373106813.db2.gz ZFAXFBVKPPPYFT-HLTSFMKQSA-N 2 2 288.298 -1.246 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873657 373106992 /nfs/dbraw/zinc/10/69/92/373106992.db2.gz GUIJPBAMOVGFGD-WDEREUQCSA-N 2 2 282.344 -1.911 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873657 373106999 /nfs/dbraw/zinc/10/69/99/373106999.db2.gz GUIJPBAMOVGFGD-WDEREUQCSA-N 2 2 282.344 -1.911 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874169 373107297 /nfs/dbraw/zinc/10/72/97/373107297.db2.gz LPQNVJHPIXRKMG-UWVGGRQHSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874169 373107307 /nfs/dbraw/zinc/10/73/07/373107307.db2.gz LPQNVJHPIXRKMG-UWVGGRQHSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873656 373108118 /nfs/dbraw/zinc/10/81/18/373108118.db2.gz GUIJPBAMOVGFGD-QWRGUYRKSA-N 2 2 282.344 -1.911 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873656 373108124 /nfs/dbraw/zinc/10/81/24/373108124.db2.gz GUIJPBAMOVGFGD-QWRGUYRKSA-N 2 2 282.344 -1.911 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874588 373109798 /nfs/dbraw/zinc/10/97/98/373109798.db2.gz GDHCBPXDRVUWIP-YIZRAAEISA-N 2 2 283.332 -1.926 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874588 373109806 /nfs/dbraw/zinc/10/98/06/373109806.db2.gz GDHCBPXDRVUWIP-YIZRAAEISA-N 2 2 283.332 -1.926 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000592308989 373069775 /nfs/dbraw/zinc/06/97/75/373069775.db2.gz MOYWGNNHLULTEC-LPEHRKFASA-N 2 2 255.318 -1.103 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000592308989 373069785 /nfs/dbraw/zinc/06/97/85/373069785.db2.gz MOYWGNNHLULTEC-LPEHRKFASA-N 2 2 255.318 -1.103 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592431530 373071844 /nfs/dbraw/zinc/07/18/44/373071844.db2.gz ZXXJHZPECQDEAB-KXNHARMFSA-N 2 2 290.360 -1.420 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592431530 373071850 /nfs/dbraw/zinc/07/18/50/373071850.db2.gz ZXXJHZPECQDEAB-KXNHARMFSA-N 2 2 290.360 -1.420 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000592431532 373072875 /nfs/dbraw/zinc/07/28/75/373072875.db2.gz ZXXJHZPECQDEAB-WYUUTHIRSA-N 2 2 290.360 -1.420 20 0 CAADLP COC(=O)CC[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000599062285 373166908 /nfs/dbraw/zinc/16/69/08/373166908.db2.gz MTVNYFHPYVYVBL-MRVPVSSYSA-N 2 2 295.347 -1.230 20 0 CAADLP COC(=O)CC[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000599062285 373166918 /nfs/dbraw/zinc/16/69/18/373166918.db2.gz MTVNYFHPYVYVBL-MRVPVSSYSA-N 2 2 295.347 -1.230 20 0 CAADLP COC(=O)CCN1CCC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595891593 373119293 /nfs/dbraw/zinc/11/92/93/373119293.db2.gz IUXNOZSOJHYSKT-WDEREUQCSA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)CCN1CCC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595891593 373119307 /nfs/dbraw/zinc/11/93/07/373119307.db2.gz IUXNOZSOJHYSKT-WDEREUQCSA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)CCN1CC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595890414 373119798 /nfs/dbraw/zinc/11/97/98/373119798.db2.gz DAMJKRUZTMNQFF-ZJUUUORDSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)CCN1CC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595890414 373119814 /nfs/dbraw/zinc/11/98/14/373119814.db2.gz DAMJKRUZTMNQFF-ZJUUUORDSA-N 2 2 273.333 -1.598 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000595901534 373119917 /nfs/dbraw/zinc/11/99/17/373119917.db2.gz FLCARHRGCRQNIB-MRVPVSSYSA-N 2 2 262.310 -2.554 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000595901534 373119927 /nfs/dbraw/zinc/11/99/27/373119927.db2.gz FLCARHRGCRQNIB-MRVPVSSYSA-N 2 2 262.310 -2.554 20 0 CAADLP COC(=O)CCN1CCC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595891558 373120457 /nfs/dbraw/zinc/12/04/57/373120457.db2.gz IUXNOZSOJHYSKT-GHMZBOCLSA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)CCN1CCC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595891558 373120463 /nfs/dbraw/zinc/12/04/63/373120463.db2.gz IUXNOZSOJHYSKT-GHMZBOCLSA-N 2 2 287.360 -1.208 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893105 373120910 /nfs/dbraw/zinc/12/09/10/373120910.db2.gz PFGQZABDYLLOTL-MNOVXSKESA-N 2 2 297.355 -1.129 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893105 373120912 /nfs/dbraw/zinc/12/09/12/373120912.db2.gz PFGQZABDYLLOTL-MNOVXSKESA-N 2 2 297.355 -1.129 20 0 CAADLP CCCNC(=O)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902208 373122495 /nfs/dbraw/zinc/12/24/95/373122495.db2.gz MOAFMPLFXYZHMQ-UHFFFAOYSA-N 2 2 272.349 -1.074 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902691 373122749 /nfs/dbraw/zinc/12/27/49/373122749.db2.gz GCZXHRMSAHTVJO-SDDRHHMPSA-N 3 2 280.372 -1.249 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902691 373122758 /nfs/dbraw/zinc/12/27/58/373122758.db2.gz GCZXHRMSAHTVJO-SDDRHHMPSA-N 3 2 280.372 -1.249 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595941375 373127268 /nfs/dbraw/zinc/12/72/68/373127268.db2.gz NDVSJAMKRYVUFB-QWRGUYRKSA-N 2 2 285.344 -1.190 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595941374 373127883 /nfs/dbraw/zinc/12/78/83/373127883.db2.gz NDVSJAMKRYVUFB-MNOVXSKESA-N 2 2 285.344 -1.190 20 0 CAADLP COc1c(N)[nH+]cnc1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596013645 373129323 /nfs/dbraw/zinc/12/93/23/373129323.db2.gz ISPIRHRBCVRTGB-SFYZADRCSA-N 2 2 278.316 -1.184 20 0 CAADLP COc1c(N)nc[nH+]c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596013645 373129327 /nfs/dbraw/zinc/12/93/27/373129327.db2.gz ISPIRHRBCVRTGB-SFYZADRCSA-N 2 2 278.316 -1.184 20 0 CAADLP COc1c(N)[nH+]cnc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596013643 373130930 /nfs/dbraw/zinc/13/09/30/373130930.db2.gz ISPIRHRBCVRTGB-HTQZYQBOSA-N 2 2 278.316 -1.184 20 0 CAADLP COc1c(N)nc[nH+]c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596013643 373130941 /nfs/dbraw/zinc/13/09/41/373130941.db2.gz ISPIRHRBCVRTGB-HTQZYQBOSA-N 2 2 278.316 -1.184 20 0 CAADLP C[N@H+](CCCC(=O)NC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000602989471 373210358 /nfs/dbraw/zinc/21/03/58/373210358.db2.gz QBXGSZAOBWSPGW-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP C[N@@H+](CCCC(=O)NC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000602989471 373210362 /nfs/dbraw/zinc/21/03/62/373210362.db2.gz QBXGSZAOBWSPGW-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP COC(=O)[C@@](C)(O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989111 373210394 /nfs/dbraw/zinc/21/03/94/373210394.db2.gz DHXCCJRTRNPQSB-ZDUSSCGKSA-N 2 2 287.360 -1.384 20 0 CAADLP COC(=O)[C@@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989111 373210398 /nfs/dbraw/zinc/21/03/98/373210398.db2.gz DHXCCJRTRNPQSB-ZDUSSCGKSA-N 2 2 287.360 -1.384 20 0 CAADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910160 373216423 /nfs/dbraw/zinc/21/64/23/373216423.db2.gz LARNATPRBWTCIK-BBBLOLIVSA-N 2 2 255.318 -1.185 20 0 CAADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910160 373216433 /nfs/dbraw/zinc/21/64/33/373216433.db2.gz LARNATPRBWTCIK-BBBLOLIVSA-N 2 2 255.318 -1.185 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563103337 373216622 /nfs/dbraw/zinc/21/66/22/373216622.db2.gz HDHKRRNNHQXAPJ-MNOVXSKESA-N 2 2 266.345 -1.229 20 0 CAADLP COC(=O)CCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603833388 373217138 /nfs/dbraw/zinc/21/71/38/373217138.db2.gz JUKJLBLZAQIQNX-UWVGGRQHSA-N 2 2 255.318 -1.183 20 0 CAADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910163 373217481 /nfs/dbraw/zinc/21/74/81/373217481.db2.gz LARNATPRBWTCIK-LPEHRKFASA-N 2 2 255.318 -1.185 20 0 CAADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910163 373217484 /nfs/dbraw/zinc/21/74/84/373217484.db2.gz LARNATPRBWTCIK-LPEHRKFASA-N 2 2 255.318 -1.185 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563117724 373219726 /nfs/dbraw/zinc/21/97/26/373219726.db2.gz SUJDSMYOVNYNDK-IWIIMEHWSA-N 2 2 268.361 -1.223 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563117724 373219728 /nfs/dbraw/zinc/21/97/28/373219728.db2.gz SUJDSMYOVNYNDK-IWIIMEHWSA-N 2 2 268.361 -1.223 20 0 CAADLP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000563109524 373219868 /nfs/dbraw/zinc/21/98/68/373219868.db2.gz JMBZSTZBBAVOCX-ZJUUUORDSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563139702 373222575 /nfs/dbraw/zinc/22/25/75/373222575.db2.gz BRFRDQKMJJDXFO-SYLRKERUSA-N 2 2 276.377 -1.212 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H](C[NH3+])C1 ZINC000563152520 373224990 /nfs/dbraw/zinc/22/49/90/373224990.db2.gz CHPXGEDSJRQOOX-JTQLQIEISA-N 2 2 297.359 -1.580 20 0 CAADLP C[N@H+]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H](C[NH3+])C1 ZINC000563152520 373224998 /nfs/dbraw/zinc/22/49/98/373224998.db2.gz CHPXGEDSJRQOOX-JTQLQIEISA-N 2 2 297.359 -1.580 20 0 CAADLP COC(=O)c1cnn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000602435737 373197240 /nfs/dbraw/zinc/19/72/40/373197240.db2.gz SYJFBNSZUVYIQK-NSHDSACASA-N 2 2 295.343 -1.229 20 0 CAADLP COC(=O)c1cnn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000602435737 373197252 /nfs/dbraw/zinc/19/72/52/373197252.db2.gz SYJFBNSZUVYIQK-NSHDSACASA-N 2 2 295.343 -1.229 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889893 373205194 /nfs/dbraw/zinc/20/51/94/373205194.db2.gz FSWNZXOPDYFLDO-CABZTGNLSA-N 2 2 272.349 -1.042 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889893 373205200 /nfs/dbraw/zinc/20/52/00/373205200.db2.gz FSWNZXOPDYFLDO-CABZTGNLSA-N 2 2 272.349 -1.042 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889894 373206968 /nfs/dbraw/zinc/20/69/68/373206968.db2.gz FSWNZXOPDYFLDO-JOYOIKCWSA-N 2 2 272.349 -1.042 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889894 373206977 /nfs/dbraw/zinc/20/69/77/373206977.db2.gz FSWNZXOPDYFLDO-JOYOIKCWSA-N 2 2 272.349 -1.042 20 0 CAADLP COC(=O)CNC(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000602750273 373207277 /nfs/dbraw/zinc/20/72/77/373207277.db2.gz OTDFBUZKJDBLMM-UHFFFAOYSA-N 2 2 283.332 -1.135 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000637439650 373256955 /nfs/dbraw/zinc/25/69/55/373256955.db2.gz BDKSOLHIZZHKMW-RYUDHWBXSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000637439650 373256960 /nfs/dbraw/zinc/25/69/60/373256960.db2.gz BDKSOLHIZZHKMW-RYUDHWBXSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637439650 373256965 /nfs/dbraw/zinc/25/69/65/373256965.db2.gz BDKSOLHIZZHKMW-RYUDHWBXSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637439650 373256971 /nfs/dbraw/zinc/25/69/71/373256971.db2.gz BDKSOLHIZZHKMW-RYUDHWBXSA-N 2 2 286.376 -1.317 20 0 CAADLP CC[N@H+](CCO)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000637443147 373258888 /nfs/dbraw/zinc/25/88/88/373258888.db2.gz KOTCQCYZQPGELW-LBPRGKRZSA-N 2 2 288.392 -1.070 20 0 CAADLP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000637443147 373258892 /nfs/dbraw/zinc/25/88/92/373258892.db2.gz KOTCQCYZQPGELW-LBPRGKRZSA-N 2 2 288.392 -1.070 20 0 CAADLP CC[NH+](CCO)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443147 373258896 /nfs/dbraw/zinc/25/88/96/373258896.db2.gz KOTCQCYZQPGELW-LBPRGKRZSA-N 2 2 288.392 -1.070 20 0 CAADLP CC[NH+](CCO)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443147 373258901 /nfs/dbraw/zinc/25/89/01/373258901.db2.gz KOTCQCYZQPGELW-LBPRGKRZSA-N 2 2 288.392 -1.070 20 0 CAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443276 373259516 /nfs/dbraw/zinc/25/95/16/373259516.db2.gz LPRWFVJFBHNEMX-YPMHNXCESA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443276 373259519 /nfs/dbraw/zinc/25/95/19/373259519.db2.gz LPRWFVJFBHNEMX-YPMHNXCESA-N 2 2 288.392 -1.071 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000563198258 373268391 /nfs/dbraw/zinc/26/83/91/373268391.db2.gz LQCCJJLFUYJGGD-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000563198258 373268404 /nfs/dbraw/zinc/26/84/04/373268404.db2.gz LQCCJJLFUYJGGD-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@H]1CC[NH2+]C1 ZINC000571044991 373281148 /nfs/dbraw/zinc/28/11/48/373281148.db2.gz SDOYHWRCBOEHBU-SNVBAGLBSA-N 2 2 254.334 -1.466 20 0 CAADLP C[C@@H](C(=O)NCC[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638047952 373374016 /nfs/dbraw/zinc/37/40/16/373374016.db2.gz LAKGPSNYDXZTHA-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H](C(=O)NCCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638046921 373374235 /nfs/dbraw/zinc/37/42/35/373374235.db2.gz GVDICRYEIPUPRU-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP CC[NH2+][C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000638081860 373379205 /nfs/dbraw/zinc/37/92/05/373379205.db2.gz DHNPXJMNVATGOW-NSHDSACASA-N 2 2 286.376 -1.451 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638069616 373377439 /nfs/dbraw/zinc/37/74/39/373377439.db2.gz LLSGDBACDQWULW-AWEZNQCLSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637803718 373350282 /nfs/dbraw/zinc/35/02/82/373350282.db2.gz GWXFSMCVSTUMJO-ZJUUUORDSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637803717 373351023 /nfs/dbraw/zinc/35/10/23/373351023.db2.gz GWXFSMCVSTUMJO-VHSXEESVSA-N 2 2 254.334 -1.325 20 0 CAADLP C[NH2+][C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637801732 373351965 /nfs/dbraw/zinc/35/19/65/373351965.db2.gz MUQKSJMGZQGDOU-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)NC1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637797607 373351980 /nfs/dbraw/zinc/35/19/80/373351980.db2.gz PRUKOBUAVUYLBY-SECBINFHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H](C(=O)N1CCC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637801125 373351995 /nfs/dbraw/zinc/35/19/95/373351995.db2.gz IMODHRQVKIBMJG-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP CC[NH2+]CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637809154 373352054 /nfs/dbraw/zinc/35/20/54/373352054.db2.gz RAPRZODDDJKTNQ-SNVBAGLBSA-N 2 2 256.350 -1.078 20 0 CAADLP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637798181 373352411 /nfs/dbraw/zinc/35/24/11/373352411.db2.gz MSOKFJJPTLACES-LBPRGKRZSA-N 2 2 297.403 -1.782 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637826403 373354323 /nfs/dbraw/zinc/35/43/23/373354323.db2.gz CJPIHGWUOBKSGG-VHSXEESVSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637814913 373354508 /nfs/dbraw/zinc/35/45/08/373354508.db2.gz QZVJYTGELFFAMM-MNOVXSKESA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637833088 373354672 /nfs/dbraw/zinc/35/46/72/373354672.db2.gz MXWPWMLHUVBUSH-GHMZBOCLSA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637821640 373354706 /nfs/dbraw/zinc/35/47/06/373354706.db2.gz DHEOQFZDIZOIHA-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](C(=O)NCCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637811118 373354846 /nfs/dbraw/zinc/35/48/46/373354846.db2.gz NCSACHYFEGTVAV-LLVKDONJSA-N 2 2 283.376 -2.172 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000637819844 373355266 /nfs/dbraw/zinc/35/52/66/373355266.db2.gz YKHCYTBBIVUMMQ-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637833090 373355316 /nfs/dbraw/zinc/35/53/16/373355316.db2.gz MXWPWMLHUVBUSH-MNOVXSKESA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842794 373355930 /nfs/dbraw/zinc/35/59/30/373355930.db2.gz RYYLNZIXUJUJMW-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637865052 373356201 /nfs/dbraw/zinc/35/62/01/373356201.db2.gz ZMYNPDMGBJDTTI-GHMZBOCLSA-N 2 2 283.376 -2.092 20 0 CAADLP C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637865053 373356339 /nfs/dbraw/zinc/35/63/39/373356339.db2.gz ZMYNPDMGBJDTTI-MNOVXSKESA-N 2 2 283.376 -2.092 20 0 CAADLP C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@H](C[NH3+])C1 ZINC000637863604 373356860 /nfs/dbraw/zinc/35/68/60/373356860.db2.gz CXCDBKPKYQOEMD-MRVPVSSYSA-N 2 2 251.290 -1.103 20 0 CAADLP C[N@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@H](C[NH3+])C1 ZINC000637863604 373356867 /nfs/dbraw/zinc/35/68/67/373356867.db2.gz CXCDBKPKYQOEMD-MRVPVSSYSA-N 2 2 251.290 -1.103 20 0 CAADLP C[C@H](C(=O)N[C@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637854305 373357085 /nfs/dbraw/zinc/35/70/85/373357085.db2.gz GIINZWNYZKYTOU-PSASIEDQSA-N 2 2 254.334 -1.340 20 0 CAADLP C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@@H](C[NH3+])C1 ZINC000637863605 373357472 /nfs/dbraw/zinc/35/74/72/373357472.db2.gz CXCDBKPKYQOEMD-QMMMGPOBSA-N 2 2 251.290 -1.103 20 0 CAADLP C[N@H+]1CCN(C(=O)c2cc(=O)[nH]cn2)[C@@H](C[NH3+])C1 ZINC000637863605 373357476 /nfs/dbraw/zinc/35/74/76/373357476.db2.gz CXCDBKPKYQOEMD-QMMMGPOBSA-N 2 2 251.290 -1.103 20 0 CAADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637847414 373357524 /nfs/dbraw/zinc/35/75/24/373357524.db2.gz NPUCFBOTOFQHBM-UWVGGRQHSA-N 2 2 256.350 -1.094 20 0 CAADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637835683 373357652 /nfs/dbraw/zinc/35/76/52/373357652.db2.gz PYCKKUBCJRMBFD-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637835540 373357847 /nfs/dbraw/zinc/35/78/47/373357847.db2.gz HLMVZQYGDSRZSE-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP CN1C(=O)CN(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000637864965 373358019 /nfs/dbraw/zinc/35/80/19/373358019.db2.gz YPOXCDSQPBZGMS-VIFPVBQESA-N 2 2 283.332 -2.018 20 0 CAADLP CN1C(=O)CN(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000637864965 373358030 /nfs/dbraw/zinc/35/80/30/373358030.db2.gz YPOXCDSQPBZGMS-VIFPVBQESA-N 2 2 283.332 -2.018 20 0 CAADLP [NH3+][C@H]1CC=C(C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000638085416 373378704 /nfs/dbraw/zinc/37/87/04/373378704.db2.gz YZGYNCPGRHSCCI-LBPRGKRZSA-N 2 2 296.371 -1.402 20 0 CAADLP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071704 373378952 /nfs/dbraw/zinc/37/89/52/373378952.db2.gz HWIDACBGBRESDA-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071704 373378958 /nfs/dbraw/zinc/37/89/58/373378958.db2.gz HWIDACBGBRESDA-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP COC[C@@]1(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC000638228996 373401962 /nfs/dbraw/zinc/40/19/62/373401962.db2.gz JRVOVKUWQGPDQW-RISCZKNCSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)N1CC[NH2+]CC1=O ZINC000638256508 373403073 /nfs/dbraw/zinc/40/30/73/373403073.db2.gz RKHNIGDGNULBDP-SFYZADRCSA-N 2 2 278.303 -1.095 20 0 CAADLP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)N1CC[NH2+]CC1=O ZINC000638256499 373403681 /nfs/dbraw/zinc/40/36/81/373403681.db2.gz RKHNIGDGNULBDP-HTQZYQBOSA-N 2 2 278.303 -1.095 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1=O ZINC000638245325 373404260 /nfs/dbraw/zinc/40/42/60/373404260.db2.gz OTOFACCRHAMNQA-WYOJIJJFSA-N 2 2 252.318 -1.859 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1=O ZINC000638264715 373404609 /nfs/dbraw/zinc/40/46/09/373404609.db2.gz JSTRJPCDDYILLC-QWRGUYRKSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638276996 373405597 /nfs/dbraw/zinc/40/55/97/373405597.db2.gz WBBIIBPBUWLLPS-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638277389 373405718 /nfs/dbraw/zinc/40/57/18/373405718.db2.gz YPKCSFYZALQFFT-WDEREUQCSA-N 2 2 257.334 -1.107 20 0 CAADLP C[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638343872 373417258 /nfs/dbraw/zinc/41/72/58/373417258.db2.gz MMIRIQXPQIGXPD-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)N1CC[NH2+]CC1=O ZINC000638338532 373417269 /nfs/dbraw/zinc/41/72/69/373417269.db2.gz YKOMXRLFVDURDV-VHSXEESVSA-N 2 2 270.333 -2.089 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)N1CC[NH2+]CC1=O ZINC000638338530 373417758 /nfs/dbraw/zinc/41/77/58/373417758.db2.gz YKOMXRLFVDURDV-NXEZZACHSA-N 2 2 270.333 -2.089 20 0 CAADLP C[C@H](C(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1=O ZINC000638426543 373421928 /nfs/dbraw/zinc/42/19/28/373421928.db2.gz DJJOBABCWAKIKG-TTXORMCVSA-N 2 2 266.345 -1.325 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(O)C[NH2+]C1 ZINC000638445005 373422746 /nfs/dbraw/zinc/42/27/46/373422746.db2.gz DGFWBZFSAJSNGQ-SNVBAGLBSA-N 2 2 273.333 -2.528 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CC1 ZINC000638445706 373422969 /nfs/dbraw/zinc/42/29/69/373422969.db2.gz HXZFUHGLFBDIHY-JTQLQIEISA-N 2 2 257.334 -1.371 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000638446938 373423336 /nfs/dbraw/zinc/42/33/36/373423336.db2.gz XCRGREGODZCKPG-GHMZBOCLSA-N 2 2 289.401 -1.200 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638444838 373423522 /nfs/dbraw/zinc/42/35/22/373423522.db2.gz AVYUYOMRYBHHCT-WUHRBBMRSA-N 2 2 283.372 -1.397 20 0 CAADLP C[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638435028 373423657 /nfs/dbraw/zinc/42/36/57/373423657.db2.gz AMIDCOITLZUDID-BXKDBHETSA-N 2 2 254.334 -1.325 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000638446940 373425671 /nfs/dbraw/zinc/42/56/71/373425671.db2.gz XCRGREGODZCKPG-QWRGUYRKSA-N 2 2 289.401 -1.200 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497709 373427564 /nfs/dbraw/zinc/42/75/64/373427564.db2.gz HJSRTXOTEGUUAN-SNVBAGLBSA-N 2 2 266.345 -1.181 20 0 CAADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638080184 373379564 /nfs/dbraw/zinc/37/95/64/373379564.db2.gz LNXWDRHBKMFASW-ZJUUUORDSA-N 2 2 256.350 -1.127 20 0 CAADLP COCC[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638091430 373382855 /nfs/dbraw/zinc/38/28/55/373382855.db2.gz NYQTUTVUQUZEEL-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638091430 373382861 /nfs/dbraw/zinc/38/28/61/373382861.db2.gz NYQTUTVUQUZEEL-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP C[C@@H](C(=O)NCc1[nH+]ccn1C)N1CC[NH2+]CC1=O ZINC000638102520 373383995 /nfs/dbraw/zinc/38/39/95/373383995.db2.gz IHKGYRLWVLENBA-VIFPVBQESA-N 2 2 265.317 -1.143 20 0 CAADLP C[C@H](C(=O)NCCc1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000638113933 373384061 /nfs/dbraw/zinc/38/40/61/373384061.db2.gz RBXMHWPRENYUGU-SECBINFHSA-N 2 2 265.317 -1.111 20 0 CAADLP COCC[N@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284014309 373384934 /nfs/dbraw/zinc/38/49/34/373384934.db2.gz PTANSDVMQKNRNM-UHFFFAOYSA-N 2 2 297.359 -1.306 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284014309 373384954 /nfs/dbraw/zinc/38/49/54/373384954.db2.gz PTANSDVMQKNRNM-UHFFFAOYSA-N 2 2 297.359 -1.306 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098510 373385050 /nfs/dbraw/zinc/38/50/50/373385050.db2.gz BGFJZTDMJMJFHO-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098510 373385056 /nfs/dbraw/zinc/38/50/56/373385056.db2.gz BGFJZTDMJMJFHO-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638099303 373385773 /nfs/dbraw/zinc/38/57/73/373385773.db2.gz SJSKQZRFPQXYCJ-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638099303 373385783 /nfs/dbraw/zinc/38/57/83/373385783.db2.gz SJSKQZRFPQXYCJ-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140084 373388729 /nfs/dbraw/zinc/38/87/29/373388729.db2.gz UECYSUMLIONUNF-NEPJUHHUSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140084 373388739 /nfs/dbraw/zinc/38/87/39/373388739.db2.gz UECYSUMLIONUNF-NEPJUHHUSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140085 373388955 /nfs/dbraw/zinc/38/89/55/373388955.db2.gz UECYSUMLIONUNF-NWDGAFQWSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140085 373388964 /nfs/dbraw/zinc/38/89/64/373388964.db2.gz UECYSUMLIONUNF-NWDGAFQWSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638155715 373390260 /nfs/dbraw/zinc/39/02/60/373390260.db2.gz YAMALEABKKYTAQ-WCBMZHEXSA-N 2 2 254.334 -1.340 20 0 CAADLP COCC[NH2+]CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638153486 373390328 /nfs/dbraw/zinc/39/03/28/373390328.db2.gz KNSJXDVBUMTZCH-JTQLQIEISA-N 2 2 272.349 -1.841 20 0 CAADLP CCC[NH2+]CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638148312 373390482 /nfs/dbraw/zinc/39/04/82/373390482.db2.gz UTFVBZONMOISOX-SNVBAGLBSA-N 2 2 256.350 -1.078 20 0 CAADLP CCC[NH2+]CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638148311 373390615 /nfs/dbraw/zinc/39/06/15/373390615.db2.gz UTFVBZONMOISOX-JTQLQIEISA-N 2 2 256.350 -1.078 20 0 CAADLP C[C@@H](C(=O)NCC1([NH3+])CCC1)N1CC[NH2+]CC1=O ZINC000638161995 373391642 /nfs/dbraw/zinc/39/16/42/373391642.db2.gz YDKMCGUNVTXAQN-VIFPVBQESA-N 2 2 254.334 -1.196 20 0 CAADLP C[C@@H](C(=O)N1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638149210 373391697 /nfs/dbraw/zinc/39/16/97/373391697.db2.gz GQHRZSGBOPCVMJ-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000638139383 373392422 /nfs/dbraw/zinc/39/24/22/373392422.db2.gz CXVMYESAEXTMNK-CYBMUJFWSA-N 2 2 283.420 -1.356 20 0 CAADLP COCC[NH2+]CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638153495 373392633 /nfs/dbraw/zinc/39/26/33/373392633.db2.gz KNSJXDVBUMTZCH-SNVBAGLBSA-N 2 2 272.349 -1.841 20 0 CAADLP C[C@H](C(=O)NCC1=CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638176076 373394770 /nfs/dbraw/zinc/39/47/70/373394770.db2.gz UDCGRWVVZVPYGZ-SNVBAGLBSA-N 2 2 266.345 -1.157 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638181895 373395352 /nfs/dbraw/zinc/39/53/52/373395352.db2.gz ZGLFQZCWZIBVKN-OUAUKWLOSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638181894 373395998 /nfs/dbraw/zinc/39/59/98/373395998.db2.gz ZGLFQZCWZIBVKN-MXWKQRLJSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)NCC(F)(F)C[NH3+])N1CC[NH2+]CC1=O ZINC000638175563 373396217 /nfs/dbraw/zinc/39/62/17/373396217.db2.gz GIHCOEWGXWXSPY-SSDOTTSWSA-N 2 2 264.276 -1.483 20 0 CAADLP CC[NH2+][C@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638212066 373397787 /nfs/dbraw/zinc/39/77/87/373397787.db2.gz DRSNHKODHHUJQU-ZJUUUORDSA-N 2 2 256.350 -1.079 20 0 CAADLP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638212065 373398918 /nfs/dbraw/zinc/39/89/18/373398918.db2.gz DRSNHKODHHUJQU-NXEZZACHSA-N 2 2 256.350 -1.079 20 0 CAADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638202873 373399059 /nfs/dbraw/zinc/39/90/59/373399059.db2.gz RPHYQNMRVLSLAL-MXWKQRLJSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)N1CC[NH2+]CC1=O ZINC000638226438 373399885 /nfs/dbraw/zinc/39/98/85/373399885.db2.gz GIQVVLCAZVOUQF-LLVKDONJSA-N 2 2 284.360 -2.057 20 0 CAADLP COC[C@]1(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC000638228994 373400250 /nfs/dbraw/zinc/40/02/50/373400250.db2.gz JRVOVKUWQGPDQW-BXUZGUMPSA-N 2 2 298.387 -1.309 20 0 CAADLP COC[C@]1(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC000638228997 373400272 /nfs/dbraw/zinc/40/02/72/373400272.db2.gz JRVOVKUWQGPDQW-SMDDNHRTSA-N 2 2 298.387 -1.309 20 0 CAADLP [NH3+]C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCCOC1 ZINC000638227245 373401129 /nfs/dbraw/zinc/40/11/29/373401129.db2.gz OLHGLOUZYYNOGH-ZDUSSCGKSA-N 2 2 271.361 -1.122 20 0 CAADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000638226400 373401459 /nfs/dbraw/zinc/40/14/59/373401459.db2.gz GCOJJEBVIFURQA-WCQYABFASA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)N1CC[NH2+]CC1=O ZINC000638226439 373401717 /nfs/dbraw/zinc/40/17/17/373401717.db2.gz GIQVVLCAZVOUQF-NSHDSACASA-N 2 2 284.360 -2.057 20 0 CAADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000638568307 373439123 /nfs/dbraw/zinc/43/91/23/373439123.db2.gz ZJFDDHBEXDWRFT-VHSXEESVSA-N 2 2 254.334 -1.325 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638609199 373441203 /nfs/dbraw/zinc/44/12/03/373441203.db2.gz FMEIVJRFUAVJMK-JQWIXIFHSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638609199 373441210 /nfs/dbraw/zinc/44/12/10/373441210.db2.gz FMEIVJRFUAVJMK-JQWIXIFHSA-N 2 2 257.334 -1.188 20 0 CAADLP C[NH2+]CCOCCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638594855 373441488 /nfs/dbraw/zinc/44/14/88/373441488.db2.gz SVQJZNGWHZVGJJ-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638609099 373442530 /nfs/dbraw/zinc/44/25/30/373442530.db2.gz DSGAJVDPKIRNDE-MNOVXSKESA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638609099 373442541 /nfs/dbraw/zinc/44/25/41/373442541.db2.gz DSGAJVDPKIRNDE-MNOVXSKESA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1COCCN1C)N1CC[NH2+]CC1=O ZINC000638608812 373442571 /nfs/dbraw/zinc/44/25/71/373442571.db2.gz BXGMJQIAVGRAOS-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638608812 373442577 /nfs/dbraw/zinc/44/25/77/373442577.db2.gz BXGMJQIAVGRAOS-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638608812 373442585 /nfs/dbraw/zinc/44/25/85/373442585.db2.gz BXGMJQIAVGRAOS-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1COCCN1C)N1CC[NH2+]CC1=O ZINC000638608813 373442680 /nfs/dbraw/zinc/44/26/80/373442680.db2.gz BXGMJQIAVGRAOS-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638608813 373442688 /nfs/dbraw/zinc/44/26/88/373442688.db2.gz BXGMJQIAVGRAOS-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638608813 373442695 /nfs/dbraw/zinc/44/26/95/373442695.db2.gz BXGMJQIAVGRAOS-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638609211 373442720 /nfs/dbraw/zinc/44/27/20/373442720.db2.gz FMOYCHBUVWNDBY-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000638609913 373442949 /nfs/dbraw/zinc/44/29/49/373442949.db2.gz HQEPKBLLOITYNJ-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638609178 373443192 /nfs/dbraw/zinc/44/31/92/373443192.db2.gz FHHPECCDFCPDKX-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638609178 373443200 /nfs/dbraw/zinc/44/32/00/373443200.db2.gz FHHPECCDFCPDKX-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638611258 373443218 /nfs/dbraw/zinc/44/32/18/373443218.db2.gz NGYLGVWYFNLECD-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638609103 373443301 /nfs/dbraw/zinc/44/33/01/373443301.db2.gz DSGAJVDPKIRNDE-WDEREUQCSA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638609103 373443308 /nfs/dbraw/zinc/44/33/08/373443308.db2.gz DSGAJVDPKIRNDE-WDEREUQCSA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638609175 373443492 /nfs/dbraw/zinc/44/34/92/373443492.db2.gz FHHPECCDFCPDKX-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638609175 373443498 /nfs/dbraw/zinc/44/34/98/373443498.db2.gz FHHPECCDFCPDKX-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638609205 373443510 /nfs/dbraw/zinc/44/35/10/373443510.db2.gz FMOYCHBUVWNDBY-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638609180 373443540 /nfs/dbraw/zinc/44/35/40/373443540.db2.gz FHHPECCDFCPDKX-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638609180 373443543 /nfs/dbraw/zinc/44/35/43/373443543.db2.gz FHHPECCDFCPDKX-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638612021 373444367 /nfs/dbraw/zinc/44/43/67/373444367.db2.gz RTYBTLNHABLHSP-AXFHLTTASA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000638612021 373444373 /nfs/dbraw/zinc/44/43/73/373444373.db2.gz RTYBTLNHABLHSP-AXFHLTTASA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638612025 373444588 /nfs/dbraw/zinc/44/45/88/373444588.db2.gz RTYBTLNHABLHSP-HBNTYKKESA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638612025 373444593 /nfs/dbraw/zinc/44/45/93/373444593.db2.gz RTYBTLNHABLHSP-HBNTYKKESA-N 2 2 257.334 -1.203 20 0 CAADLP C[C@H](C(=O)NC[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638613579 373444999 /nfs/dbraw/zinc/44/49/99/373444999.db2.gz YRMAXKMKNQGFHM-ZJUUUORDSA-N 2 2 270.333 -2.089 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638612023 373445651 /nfs/dbraw/zinc/44/56/51/373445651.db2.gz RTYBTLNHABLHSP-GARJFASQSA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000638612023 373445658 /nfs/dbraw/zinc/44/56/58/373445658.db2.gz RTYBTLNHABLHSP-GARJFASQSA-N 2 2 257.334 -1.203 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638611666 373445755 /nfs/dbraw/zinc/44/57/55/373445755.db2.gz PFUNRIMIRNUKSC-SNVBAGLBSA-N 2 2 270.333 -2.135 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000638611666 373445763 /nfs/dbraw/zinc/44/57/63/373445763.db2.gz PFUNRIMIRNUKSC-SNVBAGLBSA-N 2 2 270.333 -2.135 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638613577 373445984 /nfs/dbraw/zinc/44/59/84/373445984.db2.gz YRMAXKMKNQGFHM-UWVGGRQHSA-N 2 2 270.333 -2.089 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CC[NH2+]CC1=O ZINC000638772497 373472821 /nfs/dbraw/zinc/47/28/21/373472821.db2.gz BIRDGMHSEVWFDI-LPEHRKFASA-N 2 2 254.334 -1.327 20 0 CAADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000342394138 373477572 /nfs/dbraw/zinc/47/75/72/373477572.db2.gz XBQHLKQUQVOLJC-NSHDSACASA-N 2 2 279.406 -1.089 20 0 CAADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000342394138 373477579 /nfs/dbraw/zinc/47/75/79/373477579.db2.gz XBQHLKQUQVOLJC-NSHDSACASA-N 2 2 279.406 -1.089 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC000638854044 373479882 /nfs/dbraw/zinc/47/98/82/373479882.db2.gz MSPJPRYYHAKHFA-LBPRGKRZSA-N 2 2 280.372 -1.029 20 0 CAADLP CC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000574449973 335020380 /nfs/dbraw/zinc/02/03/80/335020380.db2.gz WCCCYTIWAIEAPH-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP CN(Cc1[nH]cc[nH+]1)C(=O)CN1CC[NH2+]CC1=O ZINC000639013970 373494334 /nfs/dbraw/zinc/49/43/34/373494334.db2.gz UIPNMGNQJHYOAO-UHFFFAOYSA-N 2 2 251.290 -1.200 20 0 CAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000563888171 373504885 /nfs/dbraw/zinc/50/48/85/373504885.db2.gz NZBLAWZMYKXRNE-VIFPVBQESA-N 2 2 272.374 -1.461 20 0 CAADLP C[C@@H](C[NH3+])[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000346598760 373535847 /nfs/dbraw/zinc/53/58/47/373535847.db2.gz YFJTYGFBOPEKLK-VIFPVBQESA-N 2 2 294.359 -1.287 20 0 CAADLP C[C@@H](C[NH3+])[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000346598760 373535855 /nfs/dbraw/zinc/53/58/55/373535855.db2.gz YFJTYGFBOPEKLK-VIFPVBQESA-N 2 2 294.359 -1.287 20 0 CAADLP Cn1cc(C[N@@H+]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000346655594 373536606 /nfs/dbraw/zinc/53/66/06/373536606.db2.gz SGEQUKVSZJRKPZ-UHFFFAOYSA-N 2 2 252.318 -1.121 20 0 CAADLP Cn1cc(C[N@H+]2CCC[NH2+]CC2)c(=O)n(C)c1=O ZINC000346655594 373536613 /nfs/dbraw/zinc/53/66/13/373536613.db2.gz SGEQUKVSZJRKPZ-UHFFFAOYSA-N 2 2 252.318 -1.121 20 0 CAADLP C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638929580 373484149 /nfs/dbraw/zinc/48/41/49/373484149.db2.gz GVQZWRXQYLXISS-BBBLOLIVSA-N 2 2 254.334 -1.245 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000617764154 373588537 /nfs/dbraw/zinc/58/85/37/373588537.db2.gz KXRWPROHXFASEM-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000617764154 373588542 /nfs/dbraw/zinc/58/85/42/373588542.db2.gz KXRWPROHXFASEM-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CC(=O)NC1=O ZINC000617766533 373588640 /nfs/dbraw/zinc/58/86/40/373588640.db2.gz OAASYSBAWZQUIV-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CC(=O)NC1=O ZINC000617766533 373588649 /nfs/dbraw/zinc/58/86/49/373588649.db2.gz OAASYSBAWZQUIV-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582230797 373592652 /nfs/dbraw/zinc/59/26/52/373592652.db2.gz DCQYZRFIGPNINQ-QWHCGFSZSA-N 2 2 299.419 -1.009 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582230797 373592661 /nfs/dbraw/zinc/59/26/61/373592661.db2.gz DCQYZRFIGPNINQ-QWHCGFSZSA-N 2 2 299.419 -1.009 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348176954 373544462 /nfs/dbraw/zinc/54/44/62/373544462.db2.gz DWFPMQHDYIDDKJ-RISCZKNCSA-N 2 2 298.387 -1.539 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348176954 373544470 /nfs/dbraw/zinc/54/44/70/373544470.db2.gz DWFPMQHDYIDDKJ-RISCZKNCSA-N 2 2 298.387 -1.539 20 0 CAADLP O=C(CCOC1C[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000348986194 373550474 /nfs/dbraw/zinc/55/04/74/373550474.db2.gz BWBXSSWTDQNOJP-UHFFFAOYSA-N 2 2 257.334 -1.187 20 0 CAADLP C[NH2+][C@@H](C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000583510126 373553265 /nfs/dbraw/zinc/55/32/65/373553265.db2.gz HSLLEHYKUJHJJM-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000583573383 373558193 /nfs/dbraw/zinc/55/81/93/373558193.db2.gz SCLCAUVWLUNLER-VXGBXAGGSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000583573383 373558201 /nfs/dbraw/zinc/55/82/01/373558201.db2.gz SCLCAUVWLUNLER-VXGBXAGGSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000583573383 373558207 /nfs/dbraw/zinc/55/82/07/373558207.db2.gz SCLCAUVWLUNLER-VXGBXAGGSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000583573383 373558211 /nfs/dbraw/zinc/55/82/11/373558211.db2.gz SCLCAUVWLUNLER-VXGBXAGGSA-N 2 2 273.377 -1.007 20 0 CAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536548527 373561245 /nfs/dbraw/zinc/56/12/45/373561245.db2.gz JLCRIIZYVTZYIT-KBPBESRZSA-N 2 2 293.415 -1.508 20 0 CAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000536548527 373561253 /nfs/dbraw/zinc/56/12/53/373561253.db2.gz JLCRIIZYVTZYIT-KBPBESRZSA-N 2 2 293.415 -1.508 20 0 CAADLP CN(C)C(=O)C[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623959898 373565976 /nfs/dbraw/zinc/56/59/76/373565976.db2.gz CDKXOHWIZHBJRW-UHFFFAOYSA-N 2 2 294.363 -1.917 20 0 CAADLP CN(C)C(=O)C[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623959898 373565985 /nfs/dbraw/zinc/56/59/85/373565985.db2.gz CDKXOHWIZHBJRW-UHFFFAOYSA-N 2 2 294.363 -1.917 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000583629703 373571036 /nfs/dbraw/zinc/57/10/36/373571036.db2.gz XSJVVICHTJJPIB-JTQLQIEISA-N 2 2 273.333 -1.285 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000583629703 373571054 /nfs/dbraw/zinc/57/10/54/373571054.db2.gz XSJVVICHTJJPIB-JTQLQIEISA-N 2 2 273.333 -1.285 20 0 CAADLP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000351542306 373574648 /nfs/dbraw/zinc/57/46/48/373574648.db2.gz QYJHSJVWLDDCFX-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000351542305 373574880 /nfs/dbraw/zinc/57/48/80/373574880.db2.gz QYJHSJVWLDDCFX-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](CO)C1 ZINC000639871252 373624919 /nfs/dbraw/zinc/62/49/19/373624919.db2.gz JERCADYOCLFQKS-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](CO)C1 ZINC000639871252 373624936 /nfs/dbraw/zinc/62/49/36/373624936.db2.gz JERCADYOCLFQKS-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[NH+]1CCN(C(=O)CCN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639871252 373624953 /nfs/dbraw/zinc/62/49/53/373624953.db2.gz JERCADYOCLFQKS-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000639871179 373625921 /nfs/dbraw/zinc/62/59/21/373625921.db2.gz YTDRJBJVYDHPLA-LBPRGKRZSA-N 2 2 270.377 -1.631 20 0 CAADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639871179 373625927 /nfs/dbraw/zinc/62/59/27/373625927.db2.gz YTDRJBJVYDHPLA-LBPRGKRZSA-N 2 2 270.377 -1.631 20 0 CAADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374572805 373632743 /nfs/dbraw/zinc/63/27/43/373632743.db2.gz RBZSEHRODJHHEX-NWDGAFQWSA-N 2 2 299.371 -1.241 20 0 CAADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374572805 373632759 /nfs/dbraw/zinc/63/27/59/373632759.db2.gz RBZSEHRODJHHEX-NWDGAFQWSA-N 2 2 299.371 -1.241 20 0 CAADLP Nc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(N)[nH+]1 ZINC000623937023 373635285 /nfs/dbraw/zinc/63/52/85/373635285.db2.gz RLTLDATWOCSVIM-RKDXNWHRSA-N 2 2 279.348 -1.268 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000431002989 373636473 /nfs/dbraw/zinc/63/64/73/373636473.db2.gz FCGIFHYEJGIAAO-QWHCGFSZSA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000431002989 373636491 /nfs/dbraw/zinc/63/64/91/373636491.db2.gz FCGIFHYEJGIAAO-QWHCGFSZSA-N 2 2 284.404 -1.026 20 0 CAADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCN(C(C)=O)CC2)C1 ZINC000583205755 373637837 /nfs/dbraw/zinc/63/78/37/373637837.db2.gz BKOUNAWIRKPDIR-CHWSQXEVSA-N 2 2 298.387 -1.356 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000583813509 373641355 /nfs/dbraw/zinc/64/13/55/373641355.db2.gz WLPQSBVHLLAICO-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP COC[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000639955193 373643970 /nfs/dbraw/zinc/64/39/70/373643970.db2.gz KTCYPQZBOZJWKQ-GFCCVEGCSA-N 2 2 259.350 -1.253 20 0 CAADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818483 373647645 /nfs/dbraw/zinc/64/76/45/373647645.db2.gz VOPGEIMAHDMBRO-UHFFFAOYSA-N 2 2 291.355 -1.199 20 0 CAADLP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394391683 373649906 /nfs/dbraw/zinc/64/99/06/373649906.db2.gz LDNFIQPYALATHE-CYBMUJFWSA-N 2 2 281.404 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394391683 373649912 /nfs/dbraw/zinc/64/99/12/373649912.db2.gz LDNFIQPYALATHE-CYBMUJFWSA-N 2 2 281.404 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394391684 373650161 /nfs/dbraw/zinc/65/01/61/373650161.db2.gz LDNFIQPYALATHE-ZDUSSCGKSA-N 2 2 281.404 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394391684 373650162 /nfs/dbraw/zinc/65/01/62/373650162.db2.gz LDNFIQPYALATHE-ZDUSSCGKSA-N 2 2 281.404 -1.602 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)Cn1cccn1 ZINC000640060091 373650506 /nfs/dbraw/zinc/65/05/06/373650506.db2.gz ZRNQRALFFSCABD-ZDUSSCGKSA-N 2 2 295.387 -1.050 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)Cn1cccn1 ZINC000640060091 373650509 /nfs/dbraw/zinc/65/05/09/373650509.db2.gz ZRNQRALFFSCABD-ZDUSSCGKSA-N 2 2 295.387 -1.050 20 0 CAADLP C[N@H+](CCCS(N)(=O)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640058397 373650853 /nfs/dbraw/zinc/65/08/53/373650853.db2.gz MFWMKZOCXIMICD-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP C[N@@H+](CCCS(N)(=O)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640058397 373650862 /nfs/dbraw/zinc/65/08/62/373650862.db2.gz MFWMKZOCXIMICD-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643472971 373655571 /nfs/dbraw/zinc/65/55/71/373655571.db2.gz YWSAUJXULVTKHW-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154716 373598008 /nfs/dbraw/zinc/59/80/08/373598008.db2.gz AWNZPESPLOXGGI-MFKMUULPSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154716 373598011 /nfs/dbraw/zinc/59/80/11/373598011.db2.gz AWNZPESPLOXGGI-MFKMUULPSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154716 373598014 /nfs/dbraw/zinc/59/80/14/373598014.db2.gz AWNZPESPLOXGGI-MFKMUULPSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000565154716 373598017 /nfs/dbraw/zinc/59/80/17/373598017.db2.gz AWNZPESPLOXGGI-MFKMUULPSA-N 2 2 284.360 -1.027 20 0 CAADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000639761721 373600619 /nfs/dbraw/zinc/60/06/19/373600619.db2.gz ITOOTSMAGWFHOC-ZDUSSCGKSA-N 2 2 284.360 -1.073 20 0 CAADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000639761721 373600621 /nfs/dbraw/zinc/60/06/21/373600621.db2.gz ITOOTSMAGWFHOC-ZDUSSCGKSA-N 2 2 284.360 -1.073 20 0 CAADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000639761719 373600924 /nfs/dbraw/zinc/60/09/24/373600924.db2.gz ITOOTSMAGWFHOC-CYBMUJFWSA-N 2 2 284.360 -1.073 20 0 CAADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000639761719 373600934 /nfs/dbraw/zinc/60/09/34/373600934.db2.gz ITOOTSMAGWFHOC-CYBMUJFWSA-N 2 2 284.360 -1.073 20 0 CAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353083042 373601299 /nfs/dbraw/zinc/60/12/99/373601299.db2.gz CYYCIEXIHMCUSV-GHMZBOCLSA-N 2 2 286.376 -1.338 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783378 373606902 /nfs/dbraw/zinc/60/69/02/373606902.db2.gz RWEKQPIDERSSKH-JHJVBQTASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783378 373606912 /nfs/dbraw/zinc/60/69/12/373606912.db2.gz RWEKQPIDERSSKH-JHJVBQTASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783379 373606948 /nfs/dbraw/zinc/60/69/48/373606948.db2.gz RWEKQPIDERSSKH-UPJWGTAASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783379 373606957 /nfs/dbraw/zinc/60/69/57/373606957.db2.gz RWEKQPIDERSSKH-UPJWGTAASA-N 2 2 276.377 -1.257 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643472973 373656445 /nfs/dbraw/zinc/65/64/45/373656445.db2.gz YWSAUJXULVTKHW-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639852634 373614537 /nfs/dbraw/zinc/61/45/37/373614537.db2.gz VCWPFOVDOWZCLI-YPMHNXCESA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639852634 373614545 /nfs/dbraw/zinc/61/45/45/373614545.db2.gz VCWPFOVDOWZCLI-YPMHNXCESA-N 2 2 271.361 -1.422 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639850728 373614854 /nfs/dbraw/zinc/61/48/54/373614854.db2.gz WUXUZMITAGIJCN-FRRDWIJNSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639850728 373614862 /nfs/dbraw/zinc/61/48/62/373614862.db2.gz WUXUZMITAGIJCN-FRRDWIJNSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850728 373614868 /nfs/dbraw/zinc/61/48/68/373614868.db2.gz WUXUZMITAGIJCN-FRRDWIJNSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850728 373614873 /nfs/dbraw/zinc/61/48/73/373614873.db2.gz WUXUZMITAGIJCN-FRRDWIJNSA-N 2 2 276.377 -1.257 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000036192956 373665068 /nfs/dbraw/zinc/66/50/68/373665068.db2.gz DDKJBGRASRZXII-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097985 373669059 /nfs/dbraw/zinc/66/90/59/373669059.db2.gz DQGDLZNPTQPABI-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097985 373669064 /nfs/dbraw/zinc/66/90/64/373669064.db2.gz DQGDLZNPTQPABI-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097985 373669071 /nfs/dbraw/zinc/66/90/71/373669071.db2.gz DQGDLZNPTQPABI-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097985 373669074 /nfs/dbraw/zinc/66/90/74/373669074.db2.gz DQGDLZNPTQPABI-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000623942762 373676948 /nfs/dbraw/zinc/67/69/48/373676948.db2.gz SIBTVCUYCVXQRU-HTQZYQBOSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](O)CO)C[C@@H](C)O1 ZINC000571869818 373678701 /nfs/dbraw/zinc/67/87/01/373678701.db2.gz UBOGGBLCCQXXLL-DDHJBXDOSA-N 2 2 262.350 -1.601 20 0 CAADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000262406876 373682821 /nfs/dbraw/zinc/68/28/21/373682821.db2.gz QCSHFJNXLVKBBY-VIFPVBQESA-N 2 2 256.350 -1.011 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)[N@H+]1CCO ZINC000423587578 373694322 /nfs/dbraw/zinc/69/43/22/373694322.db2.gz CTZIVFOPGXHIBM-TXEJJXNPSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H](C)[N@@H+]1CCO ZINC000423587578 373694331 /nfs/dbraw/zinc/69/43/31/373694331.db2.gz CTZIVFOPGXHIBM-TXEJJXNPSA-N 2 2 298.387 -1.668 20 0 CAADLP Cn1cc(C[NH+]2CCN(c3nc(N)[nH+]c(N)n3)CC2)cn1 ZINC000623950841 373724011 /nfs/dbraw/zinc/72/40/11/373724011.db2.gz RGBBMMSYQMSZJT-UHFFFAOYSA-N 2 2 289.347 -1.248 20 0 CAADLP OC(C[NH+]1C[C@@H]2C[C@]2(O)C1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640484173 373774288 /nfs/dbraw/zinc/77/42/88/373774288.db2.gz ZEMXQEPTQBKQRE-UKJIMTQDSA-N 2 2 254.330 -1.520 20 0 CAADLP OC(C[NH+]1C[C@@H]2C[C@]2(O)C1)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640484173 373774295 /nfs/dbraw/zinc/77/42/95/373774295.db2.gz ZEMXQEPTQBKQRE-UKJIMTQDSA-N 2 2 254.330 -1.520 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626934177 373728138 /nfs/dbraw/zinc/72/81/38/373728138.db2.gz CKEFFUFCSHGNNE-NEPJUHHUSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429673710 373736534 /nfs/dbraw/zinc/73/65/34/373736534.db2.gz WGDHSZSWODMKRJ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429673710 373736544 /nfs/dbraw/zinc/73/65/44/373736544.db2.gz WGDHSZSWODMKRJ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)COC1C[NH2+]C1 ZINC000430757000 373738968 /nfs/dbraw/zinc/73/89/68/373738968.db2.gz DSZJMXCSMZOWQD-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+](CCN1CCCC1=O)CC(=O)N1CC[NH2+]CC1 ZINC000430633202 373739256 /nfs/dbraw/zinc/73/92/56/373739256.db2.gz ZDPLWDPDZVEJRT-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP C[N@@H+](CCN1CCCC1=O)CC(=O)N1CC[NH2+]CC1 ZINC000430633202 373739261 /nfs/dbraw/zinc/73/92/61/373739261.db2.gz ZDPLWDPDZVEJRT-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000628918576 373750014 /nfs/dbraw/zinc/75/00/14/373750014.db2.gz NJVNEUBFAXSHEL-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000628918576 373750021 /nfs/dbraw/zinc/75/00/21/373750021.db2.gz NJVNEUBFAXSHEL-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628918576 373750028 /nfs/dbraw/zinc/75/00/28/373750028.db2.gz NJVNEUBFAXSHEL-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628918576 373750034 /nfs/dbraw/zinc/75/00/34/373750034.db2.gz NJVNEUBFAXSHEL-QWRGUYRKSA-N 2 2 257.334 -1.236 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000628917001 373750358 /nfs/dbraw/zinc/75/03/58/373750358.db2.gz IPGOMKTYWNQWAC-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000628917001 373750367 /nfs/dbraw/zinc/75/03/67/373750367.db2.gz IPGOMKTYWNQWAC-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000628917001 373750378 /nfs/dbraw/zinc/75/03/78/373750378.db2.gz IPGOMKTYWNQWAC-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628917001 373750384 /nfs/dbraw/zinc/75/03/84/373750384.db2.gz IPGOMKTYWNQWAC-CHWSQXEVSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCN(CC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628919114 373750641 /nfs/dbraw/zinc/75/06/41/373750641.db2.gz RZWHWRGITUBVOZ-GFCCVEGCSA-N 2 2 270.377 -1.319 20 0 CAADLP C[NH+]1CCN(CC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628919114 373750650 /nfs/dbraw/zinc/75/06/50/373750650.db2.gz RZWHWRGITUBVOZ-GFCCVEGCSA-N 2 2 270.377 -1.319 20 0 CAADLP CC[N@H+](CC[NH3+])CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000629556955 373777144 /nfs/dbraw/zinc/77/71/44/373777144.db2.gz SKAHWSMHMYXWHW-UHFFFAOYSA-N 2 2 294.359 -1.286 20 0 CAADLP CC[N@@H+](CC[NH3+])CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000629556955 373777149 /nfs/dbraw/zinc/77/71/49/373777149.db2.gz SKAHWSMHMYXWHW-UHFFFAOYSA-N 2 2 294.359 -1.286 20 0 CAADLP C[NH+]1CCN(CC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628919119 373754240 /nfs/dbraw/zinc/75/42/40/373754240.db2.gz RZWHWRGITUBVOZ-LBPRGKRZSA-N 2 2 270.377 -1.319 20 0 CAADLP C[NH+]1CCN(CC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628919119 373754250 /nfs/dbraw/zinc/75/42/50/373754250.db2.gz RZWHWRGITUBVOZ-LBPRGKRZSA-N 2 2 270.377 -1.319 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172699 373758672 /nfs/dbraw/zinc/75/86/72/373758672.db2.gz HYMWLYOGJSNFGE-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172699 373758681 /nfs/dbraw/zinc/75/86/81/373758681.db2.gz HYMWLYOGJSNFGE-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629172699 373758693 /nfs/dbraw/zinc/75/86/93/373758693.db2.gz HYMWLYOGJSNFGE-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629172699 373758702 /nfs/dbraw/zinc/75/87/02/373758702.db2.gz HYMWLYOGJSNFGE-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H]1CC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000572486812 373764381 /nfs/dbraw/zinc/76/43/81/373764381.db2.gz KXQCTJQWOYQIJT-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000629552556 373776554 /nfs/dbraw/zinc/77/65/54/373776554.db2.gz MGXGRHSNQOIQKV-GFCCVEGCSA-N 2 2 266.349 -1.036 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000629406629 373767419 /nfs/dbraw/zinc/76/74/19/373767419.db2.gz PPHBTAXLCQFWJX-WCBMZHEXSA-N 2 2 252.318 -1.076 20 0 CAADLP COCC[NH2+]CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627082433 373839140 /nfs/dbraw/zinc/83/91/40/373839140.db2.gz ILYRNHXWZONRFV-LLVKDONJSA-N 2 2 274.365 -1.148 20 0 CAADLP COCC[NH2+]CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627082433 373839150 /nfs/dbraw/zinc/83/91/50/373839150.db2.gz ILYRNHXWZONRFV-LLVKDONJSA-N 2 2 274.365 -1.148 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094947 373839250 /nfs/dbraw/zinc/83/92/50/373839250.db2.gz QKQSMJCSPBEZAF-UKKRHICBSA-N 2 2 254.334 -1.166 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094947 373839262 /nfs/dbraw/zinc/83/92/62/373839262.db2.gz QKQSMJCSPBEZAF-UKKRHICBSA-N 2 2 254.334 -1.166 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623600684 373826141 /nfs/dbraw/zinc/82/61/41/373826141.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623600684 373826147 /nfs/dbraw/zinc/82/61/47/373826147.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623600684 373826151 /nfs/dbraw/zinc/82/61/51/373826151.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623600684 373826155 /nfs/dbraw/zinc/82/61/55/373826155.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 2 299.419 -1.138 20 0 CAADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000631954806 373827715 /nfs/dbraw/zinc/82/77/15/373827715.db2.gz XEXMQOVYZUPAOZ-SNVBAGLBSA-N 2 2 277.390 -1.012 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626972925 373828766 /nfs/dbraw/zinc/82/87/66/373828766.db2.gz RDACCWVTNJHDSP-CHWSQXEVSA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626969959 373828882 /nfs/dbraw/zinc/82/88/82/373828882.db2.gz IRPDZHQLAMSTSP-NEPJUHHUSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626969959 373828885 /nfs/dbraw/zinc/82/88/85/373828885.db2.gz IRPDZHQLAMSTSP-NEPJUHHUSA-N 2 2 286.376 -1.005 20 0 CAADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000626974678 373829019 /nfs/dbraw/zinc/82/90/19/373829019.db2.gz KEEVRFYGDARDCS-GFCCVEGCSA-N 2 2 287.408 -1.103 20 0 CAADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCOCCC[NH3+])C1 ZINC000626974678 373829024 /nfs/dbraw/zinc/82/90/24/373829024.db2.gz KEEVRFYGDARDCS-GFCCVEGCSA-N 2 2 287.408 -1.103 20 0 CAADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000631954805 373829064 /nfs/dbraw/zinc/82/90/64/373829064.db2.gz XEXMQOVYZUPAOZ-JTQLQIEISA-N 2 2 277.390 -1.012 20 0 CAADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1C[N@H+](C)CCO1 ZINC000627003680 373830043 /nfs/dbraw/zinc/83/00/43/373830043.db2.gz TYMZPZNVUJGFML-SDDRHHMPSA-N 2 2 286.376 -1.007 20 0 CAADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003680 373830050 /nfs/dbraw/zinc/83/00/50/373830050.db2.gz TYMZPZNVUJGFML-SDDRHHMPSA-N 2 2 286.376 -1.007 20 0 CAADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000627003682 373830377 /nfs/dbraw/zinc/83/03/77/373830377.db2.gz TYMZPZNVUJGFML-TUAOUCFPSA-N 2 2 286.376 -1.007 20 0 CAADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003682 373830383 /nfs/dbraw/zinc/83/03/83/373830383.db2.gz TYMZPZNVUJGFML-TUAOUCFPSA-N 2 2 286.376 -1.007 20 0 CAADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@H+](C)CCO1 ZINC000627003679 373830442 /nfs/dbraw/zinc/83/04/42/373830442.db2.gz TYMZPZNVUJGFML-QJPTWQEYSA-N 2 2 286.376 -1.007 20 0 CAADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000627003679 373830447 /nfs/dbraw/zinc/83/04/47/373830447.db2.gz TYMZPZNVUJGFML-QJPTWQEYSA-N 2 2 286.376 -1.007 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000627062821 373836076 /nfs/dbraw/zinc/83/60/76/373836076.db2.gz DWSHJQXICNVHSE-ZDUSSCGKSA-N 2 2 299.419 -1.089 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000627062821 373836087 /nfs/dbraw/zinc/83/60/87/373836087.db2.gz DWSHJQXICNVHSE-ZDUSSCGKSA-N 2 2 299.419 -1.089 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000627065544 373836674 /nfs/dbraw/zinc/83/66/74/373836674.db2.gz CAPLDELTWGIMQA-LBPRGKRZSA-N 2 2 285.392 -1.479 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000627065544 373836683 /nfs/dbraw/zinc/83/66/83/373836683.db2.gz CAPLDELTWGIMQA-LBPRGKRZSA-N 2 2 285.392 -1.479 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)[NH3+] ZINC000629606237 373778515 /nfs/dbraw/zinc/77/85/15/373778515.db2.gz AQMKLWWQXHZEBN-SNVBAGLBSA-N 2 2 259.350 -1.125 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)[NH3+] ZINC000629606236 373778920 /nfs/dbraw/zinc/77/89/20/373778920.db2.gz AQMKLWWQXHZEBN-JTQLQIEISA-N 2 2 259.350 -1.125 20 0 CAADLP C[C@H](C[NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606141 373778948 /nfs/dbraw/zinc/77/89/48/373778948.db2.gz DDGJAZFEOPRFBX-MNOVXSKESA-N 2 2 259.350 -1.267 20 0 CAADLP C[C@@H]([NH3+])CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607027 373780912 /nfs/dbraw/zinc/78/09/12/373780912.db2.gz JGPYIBLYIFRZMC-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606435 373781194 /nfs/dbraw/zinc/78/11/94/373781194.db2.gz DLCJOIDPXDOQDM-NEPJUHHUSA-N 2 2 273.377 -1.007 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C)C[NH2+]C1 ZINC000629606892 373782289 /nfs/dbraw/zinc/78/22/89/373782289.db2.gz OUKGYFXCUILMQJ-NSHDSACASA-N 2 2 271.361 -1.253 20 0 CAADLP C[C@H]([NH3+])CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607030 373782395 /nfs/dbraw/zinc/78/23/95/373782395.db2.gz JGPYIBLYIFRZMC-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP C[NH2+][C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606888 373782433 /nfs/dbraw/zinc/78/24/33/373782433.db2.gz OOBKUOSQWGOJJZ-WDEREUQCSA-N 2 2 259.350 -1.254 20 0 CAADLP COCC[NH2+]CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606870 373782477 /nfs/dbraw/zinc/78/24/77/373782477.db2.gz NUSSSBRVSXQVPT-LBPRGKRZSA-N 2 2 289.376 -1.626 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000629789699 373783966 /nfs/dbraw/zinc/78/39/66/373783966.db2.gz WRGNUSAHTZOGMR-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000629789230 373784313 /nfs/dbraw/zinc/78/43/13/373784313.db2.gz ZWMPQRXJUHCWBC-UHFFFAOYSA-N 2 2 298.387 -1.273 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000629805226 373786738 /nfs/dbraw/zinc/78/67/38/373786738.db2.gz LJIRYFJYOZOMBP-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000629816158 373788742 /nfs/dbraw/zinc/78/87/42/373788742.db2.gz IJCAWBYJDLSBCR-UHFFFAOYSA-N 2 2 286.376 -1.545 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629913606 373790875 /nfs/dbraw/zinc/79/08/75/373790875.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629913606 373790880 /nfs/dbraw/zinc/79/08/80/373790880.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629913606 373790884 /nfs/dbraw/zinc/79/08/84/373790884.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913606 373790889 /nfs/dbraw/zinc/79/08/89/373790889.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000165047174 373793957 /nfs/dbraw/zinc/79/39/57/373793957.db2.gz HXYRLCYJAZULAC-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@H+](CCO)Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837281 373799954 /nfs/dbraw/zinc/79/99/54/373799954.db2.gz NSHRBRYXIGNLFN-UHFFFAOYSA-N 2 2 296.375 -1.524 20 0 CAADLP C[N@@H+](CCO)Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837281 373799963 /nfs/dbraw/zinc/79/99/63/373799963.db2.gz NSHRBRYXIGNLFN-UHFFFAOYSA-N 2 2 296.375 -1.524 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000129074392 373903985 /nfs/dbraw/zinc/90/39/85/373903985.db2.gz SZPLRSYFAPGYLC-NSHDSACASA-N 2 2 259.350 -1.301 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627103212 373840946 /nfs/dbraw/zinc/84/09/46/373840946.db2.gz GMUKSPIIHWPFNQ-MNOVXSKESA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103292 373840991 /nfs/dbraw/zinc/84/09/91/373840991.db2.gz OMLPTNYDSHWWCN-VXGBXAGGSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103292 373840994 /nfs/dbraw/zinc/84/09/94/373840994.db2.gz OMLPTNYDSHWWCN-VXGBXAGGSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103287 373841504 /nfs/dbraw/zinc/84/15/04/373841504.db2.gz OMLPTNYDSHWWCN-NEPJUHHUSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103287 373841507 /nfs/dbraw/zinc/84/15/07/373841507.db2.gz OMLPTNYDSHWWCN-NEPJUHHUSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627103210 373841609 /nfs/dbraw/zinc/84/16/09/373841609.db2.gz GMUKSPIIHWPFNQ-GHMZBOCLSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627103213 373841681 /nfs/dbraw/zinc/84/16/81/373841681.db2.gz GMUKSPIIHWPFNQ-QWRGUYRKSA-N 2 2 272.349 -1.395 20 0 CAADLP C[NH2+]CCOCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627169930 373842945 /nfs/dbraw/zinc/84/29/45/373842945.db2.gz XGWSHEGBYRNLKU-LLVKDONJSA-N 2 2 274.365 -1.148 20 0 CAADLP C[NH2+]CCOCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627169930 373842949 /nfs/dbraw/zinc/84/29/49/373842949.db2.gz XGWSHEGBYRNLKU-LLVKDONJSA-N 2 2 274.365 -1.148 20 0 CAADLP C[NH2+]CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627171551 373843811 /nfs/dbraw/zinc/84/38/11/373843811.db2.gz YQIIWNAWIJETCR-LLVKDONJSA-N 3 2 273.381 -1.493 20 0 CAADLP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627171551 373843819 /nfs/dbraw/zinc/84/38/19/373843819.db2.gz YQIIWNAWIJETCR-LLVKDONJSA-N 3 2 273.381 -1.493 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627182873 373845086 /nfs/dbraw/zinc/84/50/86/373845086.db2.gz LNKDZJDHMKGWSU-MNOVXSKESA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627182873 373845087 /nfs/dbraw/zinc/84/50/87/373845087.db2.gz LNKDZJDHMKGWSU-MNOVXSKESA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000627183588 373845408 /nfs/dbraw/zinc/84/54/08/373845408.db2.gz UWNLRZYLGGNISY-NSHDSACASA-N 2 2 274.365 -1.018 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000627183588 373845412 /nfs/dbraw/zinc/84/54/12/373845412.db2.gz UWNLRZYLGGNISY-NSHDSACASA-N 2 2 274.365 -1.018 20 0 CAADLP Nc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000623800752 373854600 /nfs/dbraw/zinc/85/46/00/373854600.db2.gz ZGUXPKGGOIVEKD-VIFPVBQESA-N 2 2 279.348 -1.002 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@@H]1[NH3+] ZINC000566201232 373943276 /nfs/dbraw/zinc/94/32/76/373943276.db2.gz CXDZUBNCJWVJPO-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000566204568 373944150 /nfs/dbraw/zinc/94/41/50/373944150.db2.gz PBXXPMPWHSYBQU-ZJUUUORDSA-N 2 2 254.334 -1.468 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1[NH3+] ZINC000566201231 373944456 /nfs/dbraw/zinc/94/44/56/373944456.db2.gz CXDZUBNCJWVJPO-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP CN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000567892564 373964235 /nfs/dbraw/zinc/96/42/35/373964235.db2.gz OZNZTTDVGPCUCL-QMMMGPOBSA-N 2 2 297.315 -2.492 20 0 CAADLP CN1C(=O)C(=O)N(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000567892564 373964242 /nfs/dbraw/zinc/96/42/42/373964242.db2.gz OZNZTTDVGPCUCL-QMMMGPOBSA-N 2 2 297.315 -2.492 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566351470 373946150 /nfs/dbraw/zinc/94/61/50/373946150.db2.gz KNHTWMKRRKZOGW-OCCSQVGLSA-N 3 2 284.404 -1.147 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566351470 373946164 /nfs/dbraw/zinc/94/61/64/373946164.db2.gz KNHTWMKRRKZOGW-OCCSQVGLSA-N 3 2 284.404 -1.147 20 0 CAADLP CN(C)S(=O)(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566915721 373951093 /nfs/dbraw/zinc/95/10/93/373951093.db2.gz OQOZKIGDTGIUHB-SNVBAGLBSA-N 2 2 292.405 -1.631 20 0 CAADLP CN(C)S(=O)(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566915721 373951101 /nfs/dbraw/zinc/95/11/01/373951101.db2.gz OQOZKIGDTGIUHB-SNVBAGLBSA-N 2 2 292.405 -1.631 20 0 CAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089187 373964799 /nfs/dbraw/zinc/96/47/99/373964799.db2.gz KNDSYYOIEREONB-AWEZNQCLSA-N 3 2 295.431 -1.212 20 0 CAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089187 373964812 /nfs/dbraw/zinc/96/48/12/373964812.db2.gz KNDSYYOIEREONB-AWEZNQCLSA-N 3 2 295.431 -1.212 20 0 CAADLP COCCN1CC[N@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000566856348 373951774 /nfs/dbraw/zinc/95/17/74/373951774.db2.gz YNZGBVOKCGDZPL-UHFFFAOYSA-N 2 2 270.377 -1.318 20 0 CAADLP COCCN1CC[N@@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000566856348 373951780 /nfs/dbraw/zinc/95/17/80/373951780.db2.gz YNZGBVOKCGDZPL-UHFFFAOYSA-N 2 2 270.377 -1.318 20 0 CAADLP CCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567292375 373957044 /nfs/dbraw/zinc/95/70/44/373957044.db2.gz ONLLYEPRUBBBEF-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C[NH3+])C1 ZINC000567587023 373958121 /nfs/dbraw/zinc/95/81/21/373958121.db2.gz RCRVUGWSVIUGMI-SNVBAGLBSA-N 2 2 290.389 -1.877 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](C[NH3+])C1 ZINC000567587023 373958125 /nfs/dbraw/zinc/95/81/25/373958125.db2.gz RCRVUGWSVIUGMI-SNVBAGLBSA-N 2 2 290.389 -1.877 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000567587022 373958251 /nfs/dbraw/zinc/95/82/51/373958251.db2.gz RCRVUGWSVIUGMI-JTQLQIEISA-N 2 2 290.389 -1.877 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](C[NH3+])C1 ZINC000567587022 373958260 /nfs/dbraw/zinc/95/82/60/373958260.db2.gz RCRVUGWSVIUGMI-JTQLQIEISA-N 2 2 290.389 -1.877 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567817091 373961541 /nfs/dbraw/zinc/96/15/41/373961541.db2.gz KJURVEDZIHPCJG-GHMZBOCLSA-N 2 2 266.345 -1.514 20 0 CAADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000567838068 373961969 /nfs/dbraw/zinc/96/19/69/373961969.db2.gz LCMGZXJVQVQWHN-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)[C@](C)(C[NH3+])C1 ZINC000630375352 373910175 /nfs/dbraw/zinc/91/01/75/373910175.db2.gz NHHHFBMVEKDNMW-SUNKGSAMSA-N 2 2 298.387 -1.229 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)[C@@](C)(C[NH3+])C1 ZINC000630375353 373910466 /nfs/dbraw/zinc/91/04/66/373910466.db2.gz NHHHFBMVEKDNMW-UHIISALHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@](C)(O)CO)C[C@H](C)O1 ZINC000567876981 373962705 /nfs/dbraw/zinc/96/27/05/373962705.db2.gz DHTLIYJUFNEVJR-XQHKEYJVSA-N 2 2 276.377 -1.211 20 0 CAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)COC3C[NH2+]C3)C[C@@H]21 ZINC000564566169 373929540 /nfs/dbraw/zinc/92/95/40/373929540.db2.gz BELQUWGDWVBSAB-NWDGAFQWSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)COC3C[NH2+]C3)C[C@@H]21 ZINC000564566169 373929545 /nfs/dbraw/zinc/92/95/45/373929545.db2.gz BELQUWGDWVBSAB-NWDGAFQWSA-N 2 2 269.345 -1.094 20 0 CAADLP COCCN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000568091055 373963482 /nfs/dbraw/zinc/96/34/82/373963482.db2.gz IQOVUYQCMDNIDZ-UHFFFAOYSA-N 2 2 286.376 -1.545 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000564593879 373931409 /nfs/dbraw/zinc/93/14/09/373931409.db2.gz LKETXAXTIPFUKX-GHMZBOCLSA-N 2 2 257.334 -1.548 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000564593879 373931415 /nfs/dbraw/zinc/93/14/15/373931415.db2.gz LKETXAXTIPFUKX-GHMZBOCLSA-N 2 2 257.334 -1.548 20 0 CAADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000564993232 373933200 /nfs/dbraw/zinc/93/32/00/373933200.db2.gz RECDPDOKQXBBLO-SDDRHHMPSA-N 2 2 299.371 -1.195 20 0 CAADLP Cn1cnn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1=O ZINC000564944460 373933436 /nfs/dbraw/zinc/93/34/36/373933436.db2.gz XHBIOJMTEHAJPR-SECBINFHSA-N 2 2 268.321 -2.317 20 0 CAADLP Cn1cnn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1=O ZINC000564944460 373933438 /nfs/dbraw/zinc/93/34/38/373933438.db2.gz XHBIOJMTEHAJPR-SECBINFHSA-N 2 2 268.321 -2.317 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564933674 373934205 /nfs/dbraw/zinc/93/42/05/373934205.db2.gz XGLUNTKMTSRHNQ-GFCCVEGCSA-N 2 2 295.387 -2.076 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000565361752 373936201 /nfs/dbraw/zinc/93/62/01/373936201.db2.gz BGUAAIHQCIESDY-VXGBXAGGSA-N 3 2 297.403 -1.654 20 0 CAADLP C[N@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000565361752 373936208 /nfs/dbraw/zinc/93/62/08/373936208.db2.gz BGUAAIHQCIESDY-VXGBXAGGSA-N 3 2 297.403 -1.654 20 0 CAADLP C[C@H]1C[C@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000565154920 373936621 /nfs/dbraw/zinc/93/66/21/373936621.db2.gz CFIHXELPPRYWET-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000565714500 373938047 /nfs/dbraw/zinc/93/80/47/373938047.db2.gz LKFSDTMTIUVGQP-MNOVXSKESA-N 2 2 287.360 -1.039 20 0 CAADLP CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565479915 373938651 /nfs/dbraw/zinc/93/86/51/373938651.db2.gz QETXCXFIENHPNV-VIFPVBQESA-N 2 2 278.378 -1.973 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000565708020 373938795 /nfs/dbraw/zinc/93/87/95/373938795.db2.gz ZKYYMTXVRPIKSH-UHFFFAOYSA-N 2 2 284.360 -1.745 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000567912772 373963973 /nfs/dbraw/zinc/96/39/73/373963973.db2.gz UNLYTPZHTUDNLS-QWRGUYRKSA-N 2 2 282.344 -1.993 20 0 CAADLP C[C@]1(C[NH3+])CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000565891015 373940746 /nfs/dbraw/zinc/94/07/46/373940746.db2.gz FWTPLWOOSBVPJL-GFCCVEGCSA-N 2 2 254.334 -1.385 20 0 CAADLP CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578906382 373995079 /nfs/dbraw/zinc/99/50/79/373995079.db2.gz NVOOLAOGQMDFNE-DTWKUNHWSA-N 2 2 283.332 -1.924 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000578742605 373995144 /nfs/dbraw/zinc/99/51/44/373995144.db2.gz AXYDALOIPWHJMB-CHWSQXEVSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000578742605 373995149 /nfs/dbraw/zinc/99/51/49/373995149.db2.gz AXYDALOIPWHJMB-CHWSQXEVSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000578742605 373995160 /nfs/dbraw/zinc/99/51/60/373995160.db2.gz AXYDALOIPWHJMB-CHWSQXEVSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000578742605 373995166 /nfs/dbraw/zinc/99/51/66/373995166.db2.gz AXYDALOIPWHJMB-CHWSQXEVSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996322 /nfs/dbraw/zinc/99/63/22/373996322.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996329 /nfs/dbraw/zinc/99/63/29/373996329.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996337 /nfs/dbraw/zinc/99/63/37/373996337.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996344 /nfs/dbraw/zinc/99/63/44/373996344.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 3 2 299.419 -1.009 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000578994964 373996478 /nfs/dbraw/zinc/99/64/78/373996478.db2.gz GEAJOIXOOWYSJL-LBPRGKRZSA-N 2 2 297.403 -1.748 20 0 CAADLP CN1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579215909 373998086 /nfs/dbraw/zinc/99/80/86/373998086.db2.gz OKPVMLQHTVWRRD-UWVGGRQHSA-N 2 2 269.349 -1.499 20 0 CAADLP CN1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579215909 373998091 /nfs/dbraw/zinc/99/80/91/373998091.db2.gz OKPVMLQHTVWRRD-UWVGGRQHSA-N 2 2 269.349 -1.499 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000579142476 373998661 /nfs/dbraw/zinc/99/86/61/373998661.db2.gz PYZLMDKPZFUGBI-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000579354915 374000318 /nfs/dbraw/zinc/00/03/18/374000318.db2.gz ILHAIZVCXMZLEV-WDEREUQCSA-N 2 2 283.376 -1.122 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000579354915 374000325 /nfs/dbraw/zinc/00/03/25/374000325.db2.gz ILHAIZVCXMZLEV-WDEREUQCSA-N 2 2 283.376 -1.122 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000579596630 374003371 /nfs/dbraw/zinc/00/33/71/374003371.db2.gz HIMVNAIFXLMINM-JTQLQIEISA-N 2 2 273.333 -1.333 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579593627 374003562 /nfs/dbraw/zinc/00/35/62/374003562.db2.gz XGACWIJPRNBFMI-ZJUUUORDSA-N 2 2 254.334 -1.434 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579593627 374003566 /nfs/dbraw/zinc/00/35/66/374003566.db2.gz XGACWIJPRNBFMI-ZJUUUORDSA-N 2 2 254.334 -1.434 20 0 CAADLP CCO[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405893676 374004172 /nfs/dbraw/zinc/00/41/72/374004172.db2.gz XVZYZNSVOHCINE-RKDXNWHRSA-N 2 2 258.322 -1.262 20 0 CAADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405893676 374004183 /nfs/dbraw/zinc/00/41/83/374004183.db2.gz XVZYZNSVOHCINE-RKDXNWHRSA-N 2 2 258.322 -1.262 20 0 CAADLP COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579853316 374005398 /nfs/dbraw/zinc/00/53/98/374005398.db2.gz MBAWHIJJWCUPLJ-NXEZZACHSA-N 2 2 298.343 -2.091 20 0 CAADLP COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579853316 374005403 /nfs/dbraw/zinc/00/54/03/374005403.db2.gz MBAWHIJJWCUPLJ-NXEZZACHSA-N 2 2 298.343 -2.091 20 0 CAADLP COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579853317 374006011 /nfs/dbraw/zinc/00/60/11/374006011.db2.gz MBAWHIJJWCUPLJ-UWVGGRQHSA-N 2 2 298.343 -2.091 20 0 CAADLP COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579853317 374006015 /nfs/dbraw/zinc/00/60/15/374006015.db2.gz MBAWHIJJWCUPLJ-UWVGGRQHSA-N 2 2 298.343 -2.091 20 0 CAADLP [NH3+]C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000579831728 374006432 /nfs/dbraw/zinc/00/64/32/374006432.db2.gz JNUKINPERIWJHF-SECBINFHSA-N 2 2 256.306 -2.396 20 0 CAADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000193567437 374007818 /nfs/dbraw/zinc/00/78/18/374007818.db2.gz PRTDVFDLDDLDQE-CMPLNLGQSA-N 2 2 268.361 -1.125 20 0 CAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000037800582 374014583 /nfs/dbraw/zinc/01/45/83/374014583.db2.gz YIPSTJHWNHPJCV-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568166859 373966011 /nfs/dbraw/zinc/96/60/11/373966011.db2.gz VTBMVEOCNBZOBS-KGLIPLIRSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568166859 373966014 /nfs/dbraw/zinc/96/60/14/373966014.db2.gz VTBMVEOCNBZOBS-KGLIPLIRSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000568166859 373966019 /nfs/dbraw/zinc/96/60/19/373966019.db2.gz VTBMVEOCNBZOBS-KGLIPLIRSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000568166859 373966024 /nfs/dbraw/zinc/96/60/24/373966024.db2.gz VTBMVEOCNBZOBS-KGLIPLIRSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000568182649 373966255 /nfs/dbraw/zinc/96/62/55/373966255.db2.gz WXHINEQKHVZPPR-QJPTWQEYSA-N 2 2 262.350 -1.071 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000568182649 373966272 /nfs/dbraw/zinc/96/62/72/373966272.db2.gz WXHINEQKHVZPPR-QJPTWQEYSA-N 2 2 262.350 -1.071 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000568182648 373967368 /nfs/dbraw/zinc/96/73/68/373967368.db2.gz WXHINEQKHVZPPR-IJLUTSLNSA-N 2 2 262.350 -1.071 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000568182648 373967377 /nfs/dbraw/zinc/96/73/77/373967377.db2.gz WXHINEQKHVZPPR-IJLUTSLNSA-N 2 2 262.350 -1.071 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)CC1 ZINC000568163599 373967469 /nfs/dbraw/zinc/96/74/69/373967469.db2.gz FCOHKLCDGPRIIT-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)CC1 ZINC000568163599 373967477 /nfs/dbraw/zinc/96/74/77/373967477.db2.gz FCOHKLCDGPRIIT-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000568163599 373967484 /nfs/dbraw/zinc/96/74/84/373967484.db2.gz FCOHKLCDGPRIIT-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)CC1 ZINC000568163599 373967490 /nfs/dbraw/zinc/96/74/90/373967490.db2.gz FCOHKLCDGPRIIT-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267191 373969949 /nfs/dbraw/zinc/96/99/49/373969949.db2.gz CDJJXRKZWWLMPT-KXUCPTDWSA-N 2 2 254.334 -1.293 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267191 373969954 /nfs/dbraw/zinc/96/99/54/373969954.db2.gz CDJJXRKZWWLMPT-KXUCPTDWSA-N 2 2 254.334 -1.293 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000568521885 373970122 /nfs/dbraw/zinc/97/01/22/373970122.db2.gz MXNQDDYSIBYISY-NXEZZACHSA-N 2 2 265.379 -1.420 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000568521885 373970129 /nfs/dbraw/zinc/97/01/29/373970129.db2.gz MXNQDDYSIBYISY-NXEZZACHSA-N 2 2 265.379 -1.420 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(C)=O ZINC000568659490 373971297 /nfs/dbraw/zinc/97/12/97/373971297.db2.gz BDUKQPPXFFQADT-LBPRGKRZSA-N 2 2 261.366 -1.007 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(C)=O ZINC000568659490 373971304 /nfs/dbraw/zinc/97/13/04/373971304.db2.gz BDUKQPPXFFQADT-LBPRGKRZSA-N 2 2 261.366 -1.007 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCNC(C)=O ZINC000568659490 373971312 /nfs/dbraw/zinc/97/13/12/373971312.db2.gz BDUKQPPXFFQADT-LBPRGKRZSA-N 2 2 261.366 -1.007 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(C)=O ZINC000568659490 373971320 /nfs/dbraw/zinc/97/13/20/373971320.db2.gz BDUKQPPXFFQADT-LBPRGKRZSA-N 2 2 261.366 -1.007 20 0 CAADLP COCCOCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568769335 373972777 /nfs/dbraw/zinc/97/27/77/373972777.db2.gz FUOXYVNNPGLXDU-WDEREUQCSA-N 2 2 257.334 -1.107 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH2+]C1CC1 ZINC000568885633 373972900 /nfs/dbraw/zinc/97/29/00/373972900.db2.gz KYAHGPVOLHBKAH-UHFFFAOYSA-N 2 2 254.334 -1.324 20 0 CAADLP CC(C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000568966815 373974428 /nfs/dbraw/zinc/97/44/28/373974428.db2.gz BXVQJBCRAOBCMC-GFCCVEGCSA-N 2 2 298.387 -1.453 20 0 CAADLP CC(C)(C)[NH2+]CCNC(=O)CN1CC[NH2+]CC1=O ZINC000568981651 373975095 /nfs/dbraw/zinc/97/50/95/373975095.db2.gz ZAYNVSWVTZMAJE-UHFFFAOYSA-N 2 2 256.350 -1.078 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569202523 373975223 /nfs/dbraw/zinc/97/52/23/373975223.db2.gz HMVHNNQVFDNOHZ-OLZOCXBDSA-N 2 2 299.419 -1.009 20 0 CAADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000568982087 373975571 /nfs/dbraw/zinc/97/55/71/373975571.db2.gz FMLUQXPLEKRNPU-WDEREUQCSA-N 2 2 287.360 -1.039 20 0 CAADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000568982087 373975583 /nfs/dbraw/zinc/97/55/83/373975583.db2.gz FMLUQXPLEKRNPU-WDEREUQCSA-N 2 2 287.360 -1.039 20 0 CAADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000568982084 373975622 /nfs/dbraw/zinc/97/56/22/373975622.db2.gz FMLUQXPLEKRNPU-GHMZBOCLSA-N 2 2 287.360 -1.039 20 0 CAADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH3+])OC)C1 ZINC000568982084 373975630 /nfs/dbraw/zinc/97/56/30/373975630.db2.gz FMLUQXPLEKRNPU-GHMZBOCLSA-N 2 2 287.360 -1.039 20 0 CAADLP CC(=O)N1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000572958840 373976732 /nfs/dbraw/zinc/97/67/32/373976732.db2.gz NEXMESZPEKQXPR-NEPJUHHUSA-N 2 2 268.361 -1.044 20 0 CAADLP CC(=O)N1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000572958840 373976742 /nfs/dbraw/zinc/97/67/42/373976742.db2.gz NEXMESZPEKQXPR-NEPJUHHUSA-N 2 2 268.361 -1.044 20 0 CAADLP CCOCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572618047 373977048 /nfs/dbraw/zinc/97/70/48/373977048.db2.gz PLHUDKLTPRGYLB-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP CCOCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572618047 373977055 /nfs/dbraw/zinc/97/70/55/373977055.db2.gz PLHUDKLTPRGYLB-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP CCOCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572618045 373977079 /nfs/dbraw/zinc/97/70/79/373977079.db2.gz PLHUDKLTPRGYLB-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP CCOCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572618045 373977081 /nfs/dbraw/zinc/97/70/81/373977081.db2.gz PLHUDKLTPRGYLB-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP CN(CC[N@H+](C)C1CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000572959047 373977302 /nfs/dbraw/zinc/97/73/02/373977302.db2.gz ZWEIPKHJOXHVOD-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP CN(CC[N@@H+](C)C1CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000572959047 373977313 /nfs/dbraw/zinc/97/73/13/373977313.db2.gz ZWEIPKHJOXHVOD-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP CC(=O)N1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000572958841 373977721 /nfs/dbraw/zinc/97/77/21/373977721.db2.gz NEXMESZPEKQXPR-NWDGAFQWSA-N 2 2 268.361 -1.044 20 0 CAADLP CC(=O)N1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000572958841 373977727 /nfs/dbraw/zinc/97/77/27/373977727.db2.gz NEXMESZPEKQXPR-NWDGAFQWSA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000572840230 373977837 /nfs/dbraw/zinc/97/78/37/373977837.db2.gz XZZGRYDYKUBQJT-QWRGUYRKSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000572840230 373977845 /nfs/dbraw/zinc/97/78/45/373977845.db2.gz XZZGRYDYKUBQJT-QWRGUYRKSA-N 3 2 256.350 -1.534 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574055399 373983567 /nfs/dbraw/zinc/98/35/67/373983567.db2.gz WDEOQECZZODSAQ-LPEHRKFASA-N 2 2 297.359 -1.536 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574055399 373983574 /nfs/dbraw/zinc/98/35/74/373983574.db2.gz WDEOQECZZODSAQ-LPEHRKFASA-N 2 2 297.359 -1.536 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574055397 373984155 /nfs/dbraw/zinc/98/41/55/373984155.db2.gz WDEOQECZZODSAQ-IVZWLZJFSA-N 2 2 297.359 -1.536 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574055397 373984157 /nfs/dbraw/zinc/98/41/57/373984157.db2.gz WDEOQECZZODSAQ-IVZWLZJFSA-N 2 2 297.359 -1.536 20 0 CAADLP COC(=O)c1cn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nn1 ZINC000573967098 373985229 /nfs/dbraw/zinc/98/52/29/373985229.db2.gz QSBJERGPIMWGLD-SECBINFHSA-N 2 2 296.331 -1.834 20 0 CAADLP COC(=O)c1cn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nn1 ZINC000573967098 373985233 /nfs/dbraw/zinc/98/52/33/373985233.db2.gz QSBJERGPIMWGLD-SECBINFHSA-N 2 2 296.331 -1.834 20 0 CAADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000578530113 373993601 /nfs/dbraw/zinc/99/36/01/373993601.db2.gz QUHBFCDXHSODTK-VXGBXAGGSA-N 2 2 298.387 -1.451 20 0 CAADLP C[NH+](C)CC(=O)NCC1(NC(=O)C[NH+](C)C)CC1 ZINC000578424224 373993914 /nfs/dbraw/zinc/99/39/14/373993914.db2.gz OHWOHFQKVIBVDY-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000578530111 373993951 /nfs/dbraw/zinc/99/39/51/373993951.db2.gz QUHBFCDXHSODTK-NWDGAFQWSA-N 2 2 298.387 -1.451 20 0 CAADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000621683827 374077517 /nfs/dbraw/zinc/07/75/17/374077517.db2.gz CCBAWEHOKXVPOX-MFKMUULPSA-N 2 2 266.345 -1.242 20 0 CAADLP CC(C)(CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000627289998 374046505 /nfs/dbraw/zinc/04/65/05/374046505.db2.gz AOYOMRFDNGVMLO-LLVKDONJSA-N 2 2 298.387 -1.309 20 0 CAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000627300086 374053679 /nfs/dbraw/zinc/05/36/79/374053679.db2.gz OJSWVYXXUADPFQ-UHFFFAOYSA-N 2 2 297.359 -1.306 20 0 CAADLP CN(CCOCC[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000631002270 374061862 /nfs/dbraw/zinc/06/18/62/374061862.db2.gz WUPOOTGHZHDVKF-UHFFFAOYSA-N 2 2 274.365 -1.065 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC000312075670 374076511 /nfs/dbraw/zinc/07/65/11/374076511.db2.gz QAEFLMAVEKRRHA-GFCCVEGCSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC000312075670 374076517 /nfs/dbraw/zinc/07/65/17/374076517.db2.gz QAEFLMAVEKRRHA-GFCCVEGCSA-N 2 2 271.361 -1.110 20 0 CAADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000621683825 374076806 /nfs/dbraw/zinc/07/68/06/374076806.db2.gz CCBAWEHOKXVPOX-GWCFXTLKSA-N 2 2 266.345 -1.242 20 0 CAADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000621683826 374077189 /nfs/dbraw/zinc/07/71/89/374077189.db2.gz CCBAWEHOKXVPOX-GXFFZTMASA-N 2 2 266.345 -1.242 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](C)[N@H+]1CCO ZINC000624256563 374110347 /nfs/dbraw/zinc/11/03/47/374110347.db2.gz ZDXMHZHDZGPOMT-OCAPTIKFSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H](C)[N@@H+]1CCO ZINC000624256563 374110354 /nfs/dbraw/zinc/11/03/54/374110354.db2.gz ZDXMHZHDZGPOMT-OCAPTIKFSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624286463 374110938 /nfs/dbraw/zinc/11/09/38/374110938.db2.gz YNGTVBZPJHUQAE-HTQZYQBOSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624286463 374110945 /nfs/dbraw/zinc/11/09/45/374110945.db2.gz YNGTVBZPJHUQAE-HTQZYQBOSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624286464 374112248 /nfs/dbraw/zinc/11/22/48/374112248.db2.gz YNGTVBZPJHUQAE-JGVFFNPUSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624286464 374112258 /nfs/dbraw/zinc/11/22/58/374112258.db2.gz YNGTVBZPJHUQAE-JGVFFNPUSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627358949 374116484 /nfs/dbraw/zinc/11/64/84/374116484.db2.gz WIYIRCFIKQKKTG-GRYCIOLGSA-N 2 2 298.387 -1.310 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000627358260 374117155 /nfs/dbraw/zinc/11/71/55/374117155.db2.gz FAKJRCOJSGJMOR-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627385721 374118179 /nfs/dbraw/zinc/11/81/79/374118179.db2.gz TYSXUJGZNMHMRJ-LLVKDONJSA-N 2 2 297.359 -1.179 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627385722 374119003 /nfs/dbraw/zinc/11/90/03/374119003.db2.gz TYSXUJGZNMHMRJ-NSHDSACASA-N 2 2 297.359 -1.179 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627385501 374119040 /nfs/dbraw/zinc/11/90/40/374119040.db2.gz MWDZNJFOYVSBJU-VHSXEESVSA-N 2 2 265.317 -1.134 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453138 374124180 /nfs/dbraw/zinc/12/41/80/374124180.db2.gz DRALJHRLZWXPFE-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000627501202 374134865 /nfs/dbraw/zinc/13/48/65/374134865.db2.gz AMWLEGDKEWPXCN-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473908 374131131 /nfs/dbraw/zinc/13/11/31/374131131.db2.gz ZIFUIVFRYSHEIP-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000622659205 374089384 /nfs/dbraw/zinc/08/93/84/374089384.db2.gz ZMAJAEPRVOSHPO-LBPRGKRZSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000622659205 374089390 /nfs/dbraw/zinc/08/93/90/374089390.db2.gz ZMAJAEPRVOSHPO-LBPRGKRZSA-N 2 2 271.361 -1.110 20 0 CAADLP CN1CC[NH+](CCCCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623853700 374090943 /nfs/dbraw/zinc/09/09/43/374090943.db2.gz DXXDNOBCLQNWJF-UHFFFAOYSA-N 2 2 280.380 -1.442 20 0 CAADLP C[C@@H]1C[N@H+](CCNc2nc(N)[nH+]c(N)n2)CCO1 ZINC000623924795 374095800 /nfs/dbraw/zinc/09/58/00/374095800.db2.gz MWBSSVZFOBVBNL-SSDOTTSWSA-N 2 2 253.310 -1.749 20 0 CAADLP C[C@@H]1C[N@@H+](CCNc2nc(N)[nH+]c(N)n2)CCO1 ZINC000623924795 374095811 /nfs/dbraw/zinc/09/58/11/374095811.db2.gz MWBSSVZFOBVBNL-SSDOTTSWSA-N 2 2 253.310 -1.749 20 0 CAADLP Nc1nc(NCCCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000623864002 374096387 /nfs/dbraw/zinc/09/63/87/374096387.db2.gz CYUJAPPIYAMXJS-UHFFFAOYSA-N 2 2 267.337 -1.357 20 0 CAADLP Nc1nc(N)[nH+]c(NCCCC[NH+]2CCOCC2)n1 ZINC000623864002 374096401 /nfs/dbraw/zinc/09/64/01/374096401.db2.gz CYUJAPPIYAMXJS-UHFFFAOYSA-N 2 2 267.337 -1.357 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623936135 374096443 /nfs/dbraw/zinc/09/64/43/374096443.db2.gz FIRLIODCTBAUIP-SSDOTTSWSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@H](CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCOCC1 ZINC000623985022 374098127 /nfs/dbraw/zinc/09/81/27/374098127.db2.gz BLNFYAFVRVDDJE-MRVPVSSYSA-N 2 2 267.337 -1.501 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000623966333 374099403 /nfs/dbraw/zinc/09/94/03/374099403.db2.gz MYEZDAPIESWYLT-VIFPVBQESA-N 3 2 292.391 -1.301 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000623966333 374099408 /nfs/dbraw/zinc/09/94/08/374099408.db2.gz MYEZDAPIESWYLT-VIFPVBQESA-N 3 2 292.391 -1.301 20 0 CAADLP CN(C)C(=O)CC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624037021 374102157 /nfs/dbraw/zinc/10/21/57/374102157.db2.gz JCEBLWLDEHBWAH-UHFFFAOYSA-N 2 2 294.363 -1.703 20 0 CAADLP Nc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000623997182 374102737 /nfs/dbraw/zinc/10/27/37/374102737.db2.gz DQLYSTZYJICICV-SECBINFHSA-N 2 2 279.348 -1.145 20 0 CAADLP Nc1nc(N2CC(C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000624235631 374107136 /nfs/dbraw/zinc/10/71/36/374107136.db2.gz NNVQIYCHTZRNRZ-UHFFFAOYSA-N 2 2 265.321 -1.535 20 0 CAADLP Nc1nc(N2CCC[C@H]([NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000624248530 374109062 /nfs/dbraw/zinc/10/90/62/374109062.db2.gz QVZMTBJUBJYYGS-VIFPVBQESA-N 2 2 279.348 -1.002 20 0 CAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627507401 374136441 /nfs/dbraw/zinc/13/64/41/374136441.db2.gz QWIHRGRMBLRLPV-NEPJUHHUSA-N 2 2 296.371 -1.602 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627506390 374136595 /nfs/dbraw/zinc/13/65/95/374136595.db2.gz OFTSFIMETLTPIN-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506881 374136841 /nfs/dbraw/zinc/13/68/41/374136841.db2.gz OMCZATBPRYUIJT-GHMZBOCLSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627506881 374136848 /nfs/dbraw/zinc/13/68/48/374136848.db2.gz OMCZATBPRYUIJT-GHMZBOCLSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505929 374136866 /nfs/dbraw/zinc/13/68/66/374136866.db2.gz PYZLMDKPZFUGBI-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631640233 374149724 /nfs/dbraw/zinc/14/97/24/374149724.db2.gz VVAVNFFFQXMYGF-JTQLQIEISA-N 2 2 265.379 -1.202 20 0 CAADLP C[NH+](C)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631640233 374149727 /nfs/dbraw/zinc/14/97/27/374149727.db2.gz VVAVNFFFQXMYGF-JTQLQIEISA-N 2 2 265.379 -1.202 20 0 CAADLP C[NH+](C)C1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632182003 374164631 /nfs/dbraw/zinc/16/46/31/374164631.db2.gz WCYSQCLKCXFTIY-LLVKDONJSA-N 2 2 277.390 -1.107 20 0 CAADLP C[NH+](C)C1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632182003 374164642 /nfs/dbraw/zinc/16/46/42/374164642.db2.gz WCYSQCLKCXFTIY-LLVKDONJSA-N 2 2 277.390 -1.107 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000633112831 374185331 /nfs/dbraw/zinc/18/53/31/374185331.db2.gz HXLRJEQVZMVJTR-GHMZBOCLSA-N 2 2 268.361 -1.186 20 0 CAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633114141 374185933 /nfs/dbraw/zinc/18/59/33/374185933.db2.gz UEAOHLJAMLZLRA-IUCAKERBSA-N 2 2 263.301 -1.059 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116499 374187032 /nfs/dbraw/zinc/18/70/32/374187032.db2.gz UPPXTCVIQZPONK-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633116497 374187231 /nfs/dbraw/zinc/18/72/31/374187231.db2.gz UPPXTCVIQZPONK-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000574735106 335043281 /nfs/dbraw/zinc/04/32/81/335043281.db2.gz UFTUVMLLKHGHTP-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP Cn1cc([C@H](CO)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000330880508 252109455 /nfs/dbraw/zinc/10/94/55/252109455.db2.gz MYWSFFDUSAWCRX-LBPRGKRZSA-N 2 2 281.360 -1.183 20 0 CAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(CC[NH3+])CC2)CC1 ZINC000263003962 252079911 /nfs/dbraw/zinc/07/99/11/252079911.db2.gz OZNRLVCWAFRCCU-UHFFFAOYSA-N 2 2 291.421 -1.945 20 0 CAADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000357094471 252146192 /nfs/dbraw/zinc/14/61/92/252146192.db2.gz ZVBLLZQLWUHKAR-MNOVXSKESA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000357094471 252146194 /nfs/dbraw/zinc/14/61/94/252146194.db2.gz ZVBLLZQLWUHKAR-MNOVXSKESA-N 2 2 266.345 -1.514 20 0 CAADLP CCS(=O)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357031627 252146367 /nfs/dbraw/zinc/14/63/67/252146367.db2.gz QTBNEDPSDNWPPZ-UHFFFAOYSA-N 2 2 265.379 -1.071 20 0 CAADLP C[NH2+][C@H](C(=O)N1CC[NH+](CCO)CC1)c1cnn(C)c1 ZINC000357255670 252147979 /nfs/dbraw/zinc/14/79/79/252147979.db2.gz MGHZQEWDUUXFIY-LBPRGKRZSA-N 2 2 281.360 -1.183 20 0 CAADLP CNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645154 252149175 /nfs/dbraw/zinc/14/91/75/252149175.db2.gz FSSRZRJSQYFBBB-UHFFFAOYSA-N 2 2 272.349 -1.170 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645154 252149178 /nfs/dbraw/zinc/14/91/78/252149178.db2.gz FSSRZRJSQYFBBB-UHFFFAOYSA-N 2 2 272.349 -1.170 20 0 CAADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH+](CCO)CC1 ZINC000357648266 252150208 /nfs/dbraw/zinc/15/02/08/252150208.db2.gz LHRCXKNCERROGC-UHFFFAOYSA-N 2 2 298.387 -1.667 20 0 CAADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH+](CCO)CC1 ZINC000357648266 252150211 /nfs/dbraw/zinc/15/02/11/252150211.db2.gz LHRCXKNCERROGC-UHFFFAOYSA-N 2 2 298.387 -1.667 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000357845387 252152472 /nfs/dbraw/zinc/15/24/72/252152472.db2.gz CIHWIDIDPOMMBG-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000357919279 252153166 /nfs/dbraw/zinc/15/31/66/252153166.db2.gz JWEQMGPSEHGTCE-FVCCEPFGSA-N 2 2 283.372 -1.112 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357903980 252153758 /nfs/dbraw/zinc/15/37/58/252153758.db2.gz AZDWKSGZUUEDRP-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000357905002 252153811 /nfs/dbraw/zinc/15/38/11/252153811.db2.gz BUJRDOPKFQKTNS-USZNOCQGSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000357919141 252154046 /nfs/dbraw/zinc/15/40/46/252154046.db2.gz JQEQOPIEXQJXON-OUAUKWLOSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000358506829 252154966 /nfs/dbraw/zinc/15/49/66/252154966.db2.gz CLAUGIARASGQLF-QWRGUYRKSA-N 2 2 257.334 -1.107 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1O ZINC000359418575 252160854 /nfs/dbraw/zinc/16/08/54/252160854.db2.gz VJKCLQIRMRGLJG-RYUDHWBXSA-N 2 2 286.376 -1.365 20 0 CAADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000359311000 252160946 /nfs/dbraw/zinc/16/09/46/252160946.db2.gz RMFRPURORDGBEU-NXEZZACHSA-N 2 2 252.318 -1.904 20 0 CAADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359303249 252161152 /nfs/dbraw/zinc/16/11/52/252161152.db2.gz JIQOQQXDANVEMQ-DCAQKATOSA-N 2 2 284.360 -1.002 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000359549960 252163235 /nfs/dbraw/zinc/16/32/35/252163235.db2.gz FSODQDOHDWHGOR-UHFFFAOYSA-N 2 2 256.350 -1.044 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000360489576 252168586 /nfs/dbraw/zinc/16/85/86/252168586.db2.gz GUURMVJFZZUWDX-WDEREUQCSA-N 2 2 257.334 -1.812 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000360489576 252168589 /nfs/dbraw/zinc/16/85/89/252168589.db2.gz GUURMVJFZZUWDX-WDEREUQCSA-N 2 2 257.334 -1.812 20 0 CAADLP CS(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037891364 184543339 /nfs/dbraw/zinc/54/33/39/184543339.db2.gz RKYIAHGKSKSCOX-JTQLQIEISA-N 2 2 265.379 -1.418 20 0 CAADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857738 252136262 /nfs/dbraw/zinc/13/62/62/252136262.db2.gz YJNSSNLAJYKUGP-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857738 252136264 /nfs/dbraw/zinc/13/62/64/252136264.db2.gz YJNSSNLAJYKUGP-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828954 252178291 /nfs/dbraw/zinc/17/82/91/252178291.db2.gz FMTJIUAPAWWPDE-ZJUUUORDSA-N 2 2 297.359 -1.534 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828954 252178294 /nfs/dbraw/zinc/17/82/94/252178294.db2.gz FMTJIUAPAWWPDE-ZJUUUORDSA-N 2 2 297.359 -1.534 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828951 252178510 /nfs/dbraw/zinc/17/85/10/252178510.db2.gz FMTJIUAPAWWPDE-NXEZZACHSA-N 2 2 297.359 -1.534 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828951 252178511 /nfs/dbraw/zinc/17/85/11/252178511.db2.gz FMTJIUAPAWWPDE-NXEZZACHSA-N 2 2 297.359 -1.534 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824538 252178570 /nfs/dbraw/zinc/17/85/70/252178570.db2.gz AOBGUSYNXAFMSI-SNVBAGLBSA-N 2 2 297.359 -1.662 20 0 CAADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824538 252178572 /nfs/dbraw/zinc/17/85/72/252178572.db2.gz AOBGUSYNXAFMSI-SNVBAGLBSA-N 2 2 297.359 -1.662 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361560678 252173535 /nfs/dbraw/zinc/17/35/35/252173535.db2.gz ASWPDPOCKATYFU-CYBMUJFWSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361560678 252173537 /nfs/dbraw/zinc/17/35/37/252173537.db2.gz ASWPDPOCKATYFU-CYBMUJFWSA-N 2 2 268.361 -1.042 20 0 CAADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C(N)=O)O1 ZINC000369814303 252190615 /nfs/dbraw/zinc/19/06/15/252190615.db2.gz OZICLHIHVZZUAL-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C(N)=O)O1 ZINC000369814303 252190617 /nfs/dbraw/zinc/19/06/17/252190617.db2.gz OZICLHIHVZZUAL-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000375242458 252201311 /nfs/dbraw/zinc/20/13/11/252201311.db2.gz OIAQWZLEEILEBN-ZDUSSCGKSA-N 2 2 282.388 -1.223 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000375242458 252201313 /nfs/dbraw/zinc/20/13/13/252201313.db2.gz OIAQWZLEEILEBN-ZDUSSCGKSA-N 2 2 282.388 -1.223 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000376719540 252203626 /nfs/dbraw/zinc/20/36/26/252203626.db2.gz DKQNZHJPWRRGQS-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000376719540 252203629 /nfs/dbraw/zinc/20/36/29/252203629.db2.gz DKQNZHJPWRRGQS-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000376719543 252203907 /nfs/dbraw/zinc/20/39/07/252203907.db2.gz DKQNZHJPWRRGQS-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000376719543 252203910 /nfs/dbraw/zinc/20/39/10/252203910.db2.gz DKQNZHJPWRRGQS-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000408087360 252222313 /nfs/dbraw/zinc/22/23/13/252222313.db2.gz CZXFLQZBSXFRBI-JTQLQIEISA-N 2 2 290.389 -1.877 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000408087360 252222316 /nfs/dbraw/zinc/22/23/16/252222316.db2.gz CZXFLQZBSXFRBI-JTQLQIEISA-N 2 2 290.389 -1.877 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000168034190 532949837 /nfs/dbraw/zinc/94/98/37/532949837.db2.gz XBOXSGMWWJBDDD-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP COCC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000168034190 532949838 /nfs/dbraw/zinc/94/98/38/532949838.db2.gz XBOXSGMWWJBDDD-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000168034116 532949894 /nfs/dbraw/zinc/94/98/94/532949894.db2.gz XBOXSGMWWJBDDD-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP COCC[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000168034116 532949896 /nfs/dbraw/zinc/94/98/96/532949896.db2.gz XBOXSGMWWJBDDD-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@H]([NH3+])CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261897377 532951736 /nfs/dbraw/zinc/95/17/36/532951736.db2.gz UPVRCKCVBFUETC-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000408093709 252221464 /nfs/dbraw/zinc/22/14/64/252221464.db2.gz WLBVHJHOSXOHLD-JTQLQIEISA-N 2 2 269.349 -1.497 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000408093709 252221470 /nfs/dbraw/zinc/22/14/70/252221470.db2.gz WLBVHJHOSXOHLD-JTQLQIEISA-N 2 2 269.349 -1.497 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000408093710 252221906 /nfs/dbraw/zinc/22/19/06/252221906.db2.gz WLBVHJHOSXOHLD-SNVBAGLBSA-N 2 2 269.349 -1.497 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000408093710 252221909 /nfs/dbraw/zinc/22/19/09/252221909.db2.gz WLBVHJHOSXOHLD-SNVBAGLBSA-N 2 2 269.349 -1.497 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000408087363 252221933 /nfs/dbraw/zinc/22/19/33/252221933.db2.gz CZXFLQZBSXFRBI-SNVBAGLBSA-N 2 2 290.389 -1.877 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000408087363 252221936 /nfs/dbraw/zinc/22/19/36/252221936.db2.gz CZXFLQZBSXFRBI-SNVBAGLBSA-N 2 2 290.389 -1.877 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@H]1C ZINC000353680621 532955231 /nfs/dbraw/zinc/95/52/31/532955231.db2.gz OMFHBJBXJPCIGF-ZJUUUORDSA-N 2 2 272.349 -1.632 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@H]1C ZINC000353680621 532955238 /nfs/dbraw/zinc/95/52/38/532955238.db2.gz OMFHBJBXJPCIGF-ZJUUUORDSA-N 2 2 272.349 -1.632 20 0 CAADLP [NH3+]CCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000516185661 252254093 /nfs/dbraw/zinc/25/40/93/252254093.db2.gz IHVKVYGTRGHDDM-UHFFFAOYSA-N 2 2 270.377 -1.188 20 0 CAADLP CC(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516088412 252255034 /nfs/dbraw/zinc/25/50/34/252255034.db2.gz FNPPVZNJMIPDGG-VHSXEESVSA-N 2 2 254.334 -1.245 20 0 CAADLP CC(C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516088412 252255036 /nfs/dbraw/zinc/25/50/36/252255036.db2.gz FNPPVZNJMIPDGG-VHSXEESVSA-N 2 2 254.334 -1.245 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](C)C1 ZINC000413894662 252246319 /nfs/dbraw/zinc/24/63/19/252246319.db2.gz CXNCPCAJDCASRK-VXGBXAGGSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](C)C1 ZINC000413894662 252246325 /nfs/dbraw/zinc/24/63/25/252246325.db2.gz CXNCPCAJDCASRK-VXGBXAGGSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894662 252246328 /nfs/dbraw/zinc/24/63/28/252246328.db2.gz CXNCPCAJDCASRK-VXGBXAGGSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894662 252246332 /nfs/dbraw/zinc/24/63/32/252246332.db2.gz CXNCPCAJDCASRK-VXGBXAGGSA-N 2 2 299.371 -1.120 20 0 CAADLP COCCN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000514789994 252251162 /nfs/dbraw/zinc/25/11/62/252251162.db2.gz XJPOMEFSQKFULU-NEPJUHHUSA-N 2 2 298.387 -1.417 20 0 CAADLP COCCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000514789994 252251164 /nfs/dbraw/zinc/25/11/64/252251164.db2.gz XJPOMEFSQKFULU-NEPJUHHUSA-N 2 2 298.387 -1.417 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000514947653 252252950 /nfs/dbraw/zinc/25/29/50/252252950.db2.gz GYXNZWQGOVKWGT-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000514947653 252252953 /nfs/dbraw/zinc/25/29/53/252252953.db2.gz GYXNZWQGOVKWGT-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000514947653 252252957 /nfs/dbraw/zinc/25/29/57/252252957.db2.gz GYXNZWQGOVKWGT-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000514947653 252252959 /nfs/dbraw/zinc/25/29/59/252252959.db2.gz GYXNZWQGOVKWGT-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP COCCN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420383390 532964192 /nfs/dbraw/zinc/96/41/92/532964192.db2.gz ZOFZPEGRVXIKFM-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP COCCN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420383390 532964197 /nfs/dbraw/zinc/96/41/97/532964197.db2.gz ZOFZPEGRVXIKFM-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP COCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000194620254 532966101 /nfs/dbraw/zinc/96/61/01/532966101.db2.gz LKLNABFSIOLRTH-CQSZACIVSA-N 2 2 287.404 -1.057 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000262443100 285045536 /nfs/dbraw/zinc/04/55/36/285045536.db2.gz TVLCSMQCDKWJIN-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000262443100 285045541 /nfs/dbraw/zinc/04/55/41/285045541.db2.gz TVLCSMQCDKWJIN-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420183458 533020379 /nfs/dbraw/zinc/02/03/79/533020379.db2.gz MGLCZXVUCWSSFV-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756860 781977539 /nfs/dbraw/zinc/97/75/39/781977539.db2.gz UPQUBNZFKFBCRI-FRRDWIJNSA-N 2 2 295.387 -1.006 20 0 CAADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756860 781977545 /nfs/dbraw/zinc/97/75/45/781977545.db2.gz UPQUBNZFKFBCRI-FRRDWIJNSA-N 2 2 295.387 -1.006 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805383 781978377 /nfs/dbraw/zinc/97/83/77/781978377.db2.gz OBYLIJAMGCCVOI-MVWJERBFSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805383 781978391 /nfs/dbraw/zinc/97/83/91/781978391.db2.gz OBYLIJAMGCCVOI-MVWJERBFSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805383 781978385 /nfs/dbraw/zinc/97/83/85/781978385.db2.gz OBYLIJAMGCCVOI-MVWJERBFSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805383 781978399 /nfs/dbraw/zinc/97/83/99/781978399.db2.gz OBYLIJAMGCCVOI-MVWJERBFSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805384 781978496 /nfs/dbraw/zinc/97/84/96/781978496.db2.gz OBYLIJAMGCCVOI-YUSALJHKSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805384 781978507 /nfs/dbraw/zinc/97/85/07/781978507.db2.gz OBYLIJAMGCCVOI-YUSALJHKSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193805384 781978517 /nfs/dbraw/zinc/97/85/17/781978517.db2.gz OBYLIJAMGCCVOI-YUSALJHKSA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193805384 781978525 /nfs/dbraw/zinc/97/85/25/781978525.db2.gz OBYLIJAMGCCVOI-YUSALJHKSA-N 2 2 298.387 -1.494 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000423752351 533495675 /nfs/dbraw/zinc/49/56/75/533495675.db2.gz FWTVJSYRONWIPN-LBPRGKRZSA-N 2 2 299.371 -1.070 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424180719 533495728 /nfs/dbraw/zinc/49/57/28/533495728.db2.gz PFMRUEAVBIJVTD-MNOVXSKESA-N 2 2 285.344 -1.333 20 0 CAADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000427603533 533662411 /nfs/dbraw/zinc/66/24/11/533662411.db2.gz VHMOORIEGWXNCJ-UWVGGRQHSA-N 2 2 254.334 -1.468 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC000682093351 545616326 /nfs/dbraw/zinc/61/63/26/545616326.db2.gz NIYXQGYCDDCNFQ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC000682093351 545616330 /nfs/dbraw/zinc/61/63/30/545616330.db2.gz NIYXQGYCDDCNFQ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@]1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261894734 289164756 /nfs/dbraw/zinc/16/47/56/289164756.db2.gz UQOAYALMWUIJOB-ZWNOBZJWSA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@@]1(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC[NH2+]C1 ZINC000261894734 289164758 /nfs/dbraw/zinc/16/47/58/289164758.db2.gz UQOAYALMWUIJOB-ZWNOBZJWSA-N 2 2 266.345 -1.371 20 0 CAADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCNC(=O)C1 ZINC000683895145 545619790 /nfs/dbraw/zinc/61/97/90/545619790.db2.gz GIOXGWIKIKUYED-UHFFFAOYSA-N 2 2 292.343 -1.510 20 0 CAADLP C[NH+](C)C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000105904415 289218115 /nfs/dbraw/zinc/21/81/15/289218115.db2.gz OKKGRUOPNBRHHY-KGLIPLIRSA-N 2 2 287.404 -1.058 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001195128903 782002261 /nfs/dbraw/zinc/00/22/61/782002261.db2.gz PCXFJWNDYBPKHZ-GHMZBOCLSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195128903 782002277 /nfs/dbraw/zinc/00/22/77/782002277.db2.gz PCXFJWNDYBPKHZ-GHMZBOCLSA-N 2 2 268.317 -1.573 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419431281 286848264 /nfs/dbraw/zinc/84/82/64/286848264.db2.gz XELAPZKVGCNRJV-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419431283 286848325 /nfs/dbraw/zinc/84/83/25/286848325.db2.gz XELAPZKVGCNRJV-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055429 409330370 /nfs/dbraw/zinc/33/03/70/409330370.db2.gz ZDVVIKXQPGXASP-JTQLQIEISA-N 2 2 266.345 -1.324 20 0 CAADLP CCN1C(=O)[C@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259625 409320444 /nfs/dbraw/zinc/32/04/44/409320444.db2.gz ZRMWLZANLXKRRM-GHMZBOCLSA-N 2 2 282.344 -1.057 20 0 CAADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259625 409320446 /nfs/dbraw/zinc/32/04/46/409320446.db2.gz ZRMWLZANLXKRRM-GHMZBOCLSA-N 2 2 282.344 -1.057 20 0 CAADLP O=C1C[NH2+]CCN1[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662266751 409320518 /nfs/dbraw/zinc/32/05/18/409320518.db2.gz LYCFEJDROHZWLZ-OLZOCXBDSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278759 409321487 /nfs/dbraw/zinc/32/14/87/409321487.db2.gz ABTBQABSGAQHND-QWRGUYRKSA-N 2 2 294.355 -1.850 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278759 409321494 /nfs/dbraw/zinc/32/14/94/409321494.db2.gz ABTBQABSGAQHND-QWRGUYRKSA-N 2 2 294.355 -1.850 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278758 409322598 /nfs/dbraw/zinc/32/25/98/409322598.db2.gz ABTBQABSGAQHND-MNOVXSKESA-N 2 2 294.355 -1.850 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278758 409322602 /nfs/dbraw/zinc/32/26/02/409322602.db2.gz ABTBQABSGAQHND-MNOVXSKESA-N 2 2 294.355 -1.850 20 0 CAADLP Cc1noc(CCC[N@H+](CC[NH3+])C[C@@H](O)CO)n1 ZINC000662289311 409324377 /nfs/dbraw/zinc/32/43/77/409324377.db2.gz ZFIWVQUUGXWPHK-SNVBAGLBSA-N 2 2 258.322 -1.075 20 0 CAADLP Cc1noc(CCC[N@@H+](CC[NH3+])C[C@@H](O)CO)n1 ZINC000662289311 409324381 /nfs/dbraw/zinc/32/43/81/409324381.db2.gz ZFIWVQUUGXWPHK-SNVBAGLBSA-N 2 2 258.322 -1.075 20 0 CAADLP CCS(=O)(=O)NCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662289383 409325186 /nfs/dbraw/zinc/32/51/86/409325186.db2.gz ZZKBNUNWHUJWIZ-JTQLQIEISA-N 2 2 283.394 -2.070 20 0 CAADLP CCS(=O)(=O)NCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662289383 409325188 /nfs/dbraw/zinc/32/51/88/409325188.db2.gz ZZKBNUNWHUJWIZ-JTQLQIEISA-N 2 2 283.394 -2.070 20 0 CAADLP CC[C@H]([NH2+]C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000662527777 409327244 /nfs/dbraw/zinc/32/72/44/409327244.db2.gz YZRUYUJOLBNGST-NSHDSACASA-N 2 2 286.376 -1.451 20 0 CAADLP COC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050117843 409399822 /nfs/dbraw/zinc/39/98/22/409399822.db2.gz ZDZBDVPRHXHWKI-NSHDSACASA-N 2 2 259.350 -1.301 20 0 CAADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298281 409373331 /nfs/dbraw/zinc/37/33/31/409373331.db2.gz AWURPVCNIDBORS-UWVGGRQHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000653298281 409373332 /nfs/dbraw/zinc/37/33/32/409373332.db2.gz AWURPVCNIDBORS-UWVGGRQHSA-N 2 2 254.334 -1.244 20 0 CAADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000424149611 409378607 /nfs/dbraw/zinc/37/86/07/409378607.db2.gz WVNVRFAJZOEFGJ-WDEREUQCSA-N 2 2 279.344 -0.499 20 0 CAADLP [NH3+]C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)(F)F ZINC000655505314 409383850 /nfs/dbraw/zinc/38/38/50/409383850.db2.gz WGVBDKIEGVBHHQ-LURJTMIESA-N 2 2 268.239 -1.576 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@](C)(O)C[NH2+]C ZINC000652338433 409393089 /nfs/dbraw/zinc/39/30/89/409393089.db2.gz BZYSVXXODJSEPQ-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@](C)(O)C[NH2+]C ZINC000652338433 409393093 /nfs/dbraw/zinc/39/30/93/409393093.db2.gz BZYSVXXODJSEPQ-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000652337187 409393192 /nfs/dbraw/zinc/39/31/92/409393192.db2.gz QWONZZZCLJJYJX-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000652337187 409393195 /nfs/dbraw/zinc/39/31/95/409393195.db2.gz QWONZZZCLJJYJX-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000652337188 409394166 /nfs/dbraw/zinc/39/41/66/409394166.db2.gz QWONZZZCLJJYJX-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000652337188 409394171 /nfs/dbraw/zinc/39/41/71/409394171.db2.gz QWONZZZCLJJYJX-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@](C)(O)C[NH2+]C ZINC000652338432 409394821 /nfs/dbraw/zinc/39/48/21/409394821.db2.gz BZYSVXXODJSEPQ-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@](C)(O)C[NH2+]C ZINC000652338432 409394823 /nfs/dbraw/zinc/39/48/23/409394823.db2.gz BZYSVXXODJSEPQ-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055430 409331043 /nfs/dbraw/zinc/33/10/43/409331043.db2.gz ZDVVIKXQPGXASP-SNVBAGLBSA-N 2 2 266.345 -1.324 20 0 CAADLP CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1=O ZINC000653101674 409331290 /nfs/dbraw/zinc/33/12/90/409331290.db2.gz CFBAXCHRIGEBBI-NXEZZACHSA-N 2 2 284.360 -1.083 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124610 409331913 /nfs/dbraw/zinc/33/19/13/409331913.db2.gz BSEKPLIJODVCFR-YDHLFZDLSA-N 2 2 296.415 -1.026 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662680935 409332143 /nfs/dbraw/zinc/33/21/43/409332143.db2.gz OYHOSBHEAFINDO-UHFFFAOYSA-N 2 2 270.333 -2.399 20 0 CAADLP C[C@@H](CCNC(=O)CN1CC[NH2+]CC1=O)[NH+](C)C ZINC000662633542 409332321 /nfs/dbraw/zinc/33/23/21/409332321.db2.gz MKIIYQOQHLOKLT-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105469 409332566 /nfs/dbraw/zinc/33/25/66/409332566.db2.gz XDMRHKVVLKYWTP-AAEUAGOBSA-N 2 2 269.345 -1.329 20 0 CAADLP CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1=O ZINC000653101676 409333118 /nfs/dbraw/zinc/33/31/18/409333118.db2.gz CFBAXCHRIGEBBI-VHSXEESVSA-N 2 2 284.360 -1.083 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296302 409333161 /nfs/dbraw/zinc/33/31/61/409333161.db2.gz KIUXHQXRCABLSO-QJPTWQEYSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296302 409333165 /nfs/dbraw/zinc/33/31/65/409333165.db2.gz KIUXHQXRCABLSO-QJPTWQEYSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296302 409333169 /nfs/dbraw/zinc/33/31/69/409333169.db2.gz KIUXHQXRCABLSO-QJPTWQEYSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296302 409333172 /nfs/dbraw/zinc/33/31/72/409333172.db2.gz KIUXHQXRCABLSO-QJPTWQEYSA-N 2 2 269.345 -1.406 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000648150330 409333469 /nfs/dbraw/zinc/33/34/69/409333469.db2.gz XXAPZVXNWBIGEZ-UHFFFAOYSA-N 2 2 286.376 -1.368 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)COCC[NH3+])CC1 ZINC000648150330 409333473 /nfs/dbraw/zinc/33/34/73/409333473.db2.gz XXAPZVXNWBIGEZ-UHFFFAOYSA-N 2 2 286.376 -1.368 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662747292 409335795 /nfs/dbraw/zinc/33/57/95/409335795.db2.gz SDBUFEMHRPYUNI-WDEREUQCSA-N 2 2 298.387 -1.242 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662787904 409336074 /nfs/dbraw/zinc/33/60/74/409336074.db2.gz UZIMDLWOYXEROZ-UHFFFAOYSA-N 2 2 284.360 -2.009 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662787904 409336083 /nfs/dbraw/zinc/33/60/83/409336083.db2.gz UZIMDLWOYXEROZ-UHFFFAOYSA-N 2 2 284.360 -2.009 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000357905003 409341065 /nfs/dbraw/zinc/34/10/65/409341065.db2.gz BUJRDOPKFQKTNS-YFKTTZPYSA-N 2 2 271.361 -1.065 20 0 CAADLP [NH3+]CC1(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000653216203 409342413 /nfs/dbraw/zinc/34/24/13/409342413.db2.gz RTEAWOHZAVKKNL-UHFFFAOYSA-N 2 2 254.334 -1.337 20 0 CAADLP CCO[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000653243558 409342553 /nfs/dbraw/zinc/34/25/53/409342553.db2.gz HIFQOPCHBSVUSQ-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000237575325 409343244 /nfs/dbraw/zinc/34/32/44/409343244.db2.gz KKYATTWWBWSNBG-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000237440272 409344335 /nfs/dbraw/zinc/34/43/35/409344335.db2.gz KKYATTWWBWSNBG-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000653275445 409347427 /nfs/dbraw/zinc/34/74/27/409347427.db2.gz GDTNWEXDEFTUCH-UHFFFAOYSA-N 2 2 289.376 -1.231 20 0 CAADLP CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000405329584 409349893 /nfs/dbraw/zinc/34/98/93/409349893.db2.gz YQWFVEBMHWCJEE-NSHDSACASA-N 2 2 279.406 -1.076 20 0 CAADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000647535386 409351818 /nfs/dbraw/zinc/35/18/18/409351818.db2.gz FYGXYWGWLLSOBH-CHWSQXEVSA-N 2 2 281.356 -1.085 20 0 CAADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)C(N)=O ZINC000647535386 409351821 /nfs/dbraw/zinc/35/18/21/409351821.db2.gz FYGXYWGWLLSOBH-CHWSQXEVSA-N 2 2 281.356 -1.085 20 0 CAADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000647535387 409352831 /nfs/dbraw/zinc/35/28/31/409352831.db2.gz FYGXYWGWLLSOBH-OLZOCXBDSA-N 2 2 281.356 -1.085 20 0 CAADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)C(N)=O ZINC000647535387 409352837 /nfs/dbraw/zinc/35/28/37/409352837.db2.gz FYGXYWGWLLSOBH-OLZOCXBDSA-N 2 2 281.356 -1.085 20 0 CAADLP COC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050117843 409399817 /nfs/dbraw/zinc/39/98/17/409399817.db2.gz ZDZBDVPRHXHWKI-NSHDSACASA-N 2 2 259.350 -1.301 20 0 CAADLP Cn1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000107576939 409356192 /nfs/dbraw/zinc/35/61/92/409356192.db2.gz ZBUIKUPZWOZBAI-AOOOYVTPSA-N 2 2 264.329 -1.265 20 0 CAADLP Cn1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000107576939 409356197 /nfs/dbraw/zinc/35/61/97/409356197.db2.gz ZBUIKUPZWOZBAI-AOOOYVTPSA-N 2 2 264.329 -1.265 20 0 CAADLP CN(C)c1nc(N)nc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150267 409404005 /nfs/dbraw/zinc/40/40/05/409404005.db2.gz ABMFZCQZPFLXHM-UHFFFAOYSA-N 2 2 294.407 -1.143 20 0 CAADLP CN(C)c1nc(N)nc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150267 409404012 /nfs/dbraw/zinc/40/40/12/409404012.db2.gz ABMFZCQZPFLXHM-UHFFFAOYSA-N 2 2 294.407 -1.143 20 0 CAADLP C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000647778679 409407715 /nfs/dbraw/zinc/40/77/15/409407715.db2.gz UEOWMAIDGBNKMY-AWEZNQCLSA-N 2 2 297.447 -1.014 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C2CC2)CC1 ZINC000238083629 409407787 /nfs/dbraw/zinc/40/77/87/409407787.db2.gz MLEHZIAPPQHUHQ-UHFFFAOYSA-N 2 2 266.345 -1.275 20 0 CAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000645134606 409408039 /nfs/dbraw/zinc/40/80/39/409408039.db2.gz LGYVAYBMIVXHSN-UHFFFAOYSA-N 2 2 297.359 -2.692 20 0 CAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCC[NH3+] ZINC000647847170 409411933 /nfs/dbraw/zinc/41/19/33/409411933.db2.gz DMKXYNOQBXSTSM-QMMMGPOBSA-N 2 2 297.359 -1.482 20 0 CAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCC[NH3+] ZINC000647847170 409411940 /nfs/dbraw/zinc/41/19/40/409411940.db2.gz DMKXYNOQBXSTSM-QMMMGPOBSA-N 2 2 297.359 -1.482 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000182821637 409412113 /nfs/dbraw/zinc/41/21/13/409412113.db2.gz PRZWIMCIPWQVGA-GFCCVEGCSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCNC(=O)C1 ZINC000647835247 409412501 /nfs/dbraw/zinc/41/25/01/409412501.db2.gz RYRCLNYYLWSOTG-UHFFFAOYSA-N 2 2 283.376 -2.218 20 0 CAADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCNC(=O)C1 ZINC000647835247 409412504 /nfs/dbraw/zinc/41/25/04/409412504.db2.gz RYRCLNYYLWSOTG-UHFFFAOYSA-N 2 2 283.376 -2.218 20 0 CAADLP CN(CCCNC(=O)C[N@H+](C)CCC[NH3+])S(C)(=O)=O ZINC000647848147 409413170 /nfs/dbraw/zinc/41/31/70/409413170.db2.gz HJANLMWASCRYNL-UHFFFAOYSA-N 2 2 294.421 -1.335 20 0 CAADLP CN(CCCNC(=O)C[N@@H+](C)CCC[NH3+])S(C)(=O)=O ZINC000647848147 409413174 /nfs/dbraw/zinc/41/31/74/409413174.db2.gz HJANLMWASCRYNL-UHFFFAOYSA-N 2 2 294.421 -1.335 20 0 CAADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(=O)C1CC1 ZINC000647872612 409413746 /nfs/dbraw/zinc/41/37/46/409413746.db2.gz HMPBQEUAHBSHNW-LLVKDONJSA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@H+]1CCN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000647874463 409415848 /nfs/dbraw/zinc/41/58/48/409415848.db2.gz YSPDISYSEKLVFJ-JTQLQIEISA-N 3 2 256.350 -1.534 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000341711319 409420137 /nfs/dbraw/zinc/42/01/37/409420137.db2.gz ZIZZIRKGJBBAGB-AGIUHOORSA-N 2 2 285.388 -1.007 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000341711319 409420141 /nfs/dbraw/zinc/42/01/41/409420141.db2.gz ZIZZIRKGJBBAGB-AGIUHOORSA-N 2 2 285.388 -1.007 20 0 CAADLP CC[N@H+](CCO)CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000346247678 409433038 /nfs/dbraw/zinc/43/30/38/409433038.db2.gz YDCLXHSWOGDLCX-UHFFFAOYSA-N 2 2 284.360 -1.512 20 0 CAADLP CC[N@@H+](CCO)CC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000346247678 409433040 /nfs/dbraw/zinc/43/30/40/409433040.db2.gz YDCLXHSWOGDLCX-UHFFFAOYSA-N 2 2 284.360 -1.512 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000346965416 409435757 /nfs/dbraw/zinc/43/57/57/409435757.db2.gz IEPMVLGXXHEPAP-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000346965416 409435762 /nfs/dbraw/zinc/43/57/62/409435762.db2.gz IEPMVLGXXHEPAP-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346965416 409435766 /nfs/dbraw/zinc/43/57/66/409435766.db2.gz IEPMVLGXXHEPAP-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346965416 409435774 /nfs/dbraw/zinc/43/57/74/409435774.db2.gz IEPMVLGXXHEPAP-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346965413 409437001 /nfs/dbraw/zinc/43/70/01/409437001.db2.gz IEPMVLGXXHEPAP-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346965413 409437008 /nfs/dbraw/zinc/43/70/08/409437008.db2.gz IEPMVLGXXHEPAP-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346965413 409437012 /nfs/dbraw/zinc/43/70/12/409437012.db2.gz IEPMVLGXXHEPAP-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346965413 409437019 /nfs/dbraw/zinc/43/70/19/409437019.db2.gz IEPMVLGXXHEPAP-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000348986157 409442680 /nfs/dbraw/zinc/44/26/80/409442680.db2.gz BJNMHBUGHJYZRX-NSHDSACASA-N 2 2 270.377 -1.273 20 0 CAADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000348986157 409442685 /nfs/dbraw/zinc/44/26/85/409442685.db2.gz BJNMHBUGHJYZRX-NSHDSACASA-N 2 2 270.377 -1.273 20 0 CAADLP CC1(C)CN(C(=O)CN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000417833777 409443169 /nfs/dbraw/zinc/44/31/69/409443169.db2.gz MHRLCMXVKRRWKW-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000417845983 409443504 /nfs/dbraw/zinc/44/35/04/409443504.db2.gz SUSJNBMFGFQVCG-WDEREUQCSA-N 2 2 268.361 -1.139 20 0 CAADLP CC[N@H+](C)C[C@H](O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000519862500 409446621 /nfs/dbraw/zinc/44/66/21/409446621.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@H](O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000519862500 409446625 /nfs/dbraw/zinc/44/66/25/409446625.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)CN1CCOCC1 ZINC000519862500 409446630 /nfs/dbraw/zinc/44/66/30/409446630.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)CN1CCOCC1 ZINC000519862500 409446633 /nfs/dbraw/zinc/44/66/33/409446633.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000519862500 409446637 /nfs/dbraw/zinc/44/66/37/409446637.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000519862500 409446639 /nfs/dbraw/zinc/44/66/39/409446639.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@H+](CCO)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000519614448 409447504 /nfs/dbraw/zinc/44/75/04/409447504.db2.gz YFFKIJMIRRQQFL-ZDUSSCGKSA-N 2 2 275.393 -1.417 20 0 CAADLP CC[N@H+](C)C[C@H](O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000519862509 409447615 /nfs/dbraw/zinc/44/76/15/409447615.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000519862509 409447619 /nfs/dbraw/zinc/44/76/19/409447619.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862509 409447624 /nfs/dbraw/zinc/44/76/24/409447624.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862509 409447627 /nfs/dbraw/zinc/44/76/27/409447627.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862509 409447632 /nfs/dbraw/zinc/44/76/32/409447632.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862509 409447635 /nfs/dbraw/zinc/44/76/35/409447635.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 2 289.420 -1.076 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000519600110 409448314 /nfs/dbraw/zinc/44/83/14/409448314.db2.gz NUBAHOQJJUWGBM-WDEREUQCSA-N 3 2 283.376 -2.044 20 0 CAADLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659718115 409472007 /nfs/dbraw/zinc/47/20/07/409472007.db2.gz NHHANNFSQMZJAJ-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659718114 409472358 /nfs/dbraw/zinc/47/23/58/409472358.db2.gz NHHANNFSQMZJAJ-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659717021 409472561 /nfs/dbraw/zinc/47/25/61/409472561.db2.gz YZKSQVDUAAHQSK-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C[NH3+])C1 ZINC000653054966 409472863 /nfs/dbraw/zinc/47/28/63/409472863.db2.gz DIZJUEZZVFLDIZ-DTWKUNHWSA-N 2 2 276.362 -2.221 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C[NH3+])C1 ZINC000653054966 409472868 /nfs/dbraw/zinc/47/28/68/409472868.db2.gz DIZJUEZZVFLDIZ-DTWKUNHWSA-N 2 2 276.362 -2.221 20 0 CAADLP C[NH+](C)[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1O ZINC000653687636 409474483 /nfs/dbraw/zinc/47/44/83/409474483.db2.gz JHRKSVIXEJFTNH-AGIUHOORSA-N 2 2 273.377 -1.714 20 0 CAADLP CC(=O)N1CCN(C(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000123307838 409473639 /nfs/dbraw/zinc/47/36/39/409473639.db2.gz YPPUQADXBIJTLT-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000123307838 409473644 /nfs/dbraw/zinc/47/36/44/409473644.db2.gz YPPUQADXBIJTLT-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000653594201 409473702 /nfs/dbraw/zinc/47/37/02/409473702.db2.gz CULVNCQYEWGJJC-MNOVXSKESA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000653594201 409473707 /nfs/dbraw/zinc/47/37/07/409473707.db2.gz CULVNCQYEWGJJC-MNOVXSKESA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000653594201 409473709 /nfs/dbraw/zinc/47/37/09/409473709.db2.gz CULVNCQYEWGJJC-MNOVXSKESA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000653594201 409473712 /nfs/dbraw/zinc/47/37/12/409473712.db2.gz CULVNCQYEWGJJC-MNOVXSKESA-N 2 2 274.365 -1.332 20 0 CAADLP CC[N@H+](C)C[C@H](O)CN(CCO)CC[NH+]1CCOCC1 ZINC000653563804 409474517 /nfs/dbraw/zinc/47/45/17/409474517.db2.gz AWJHNNWPSIKPCF-AWEZNQCLSA-N 2 2 289.420 -1.075 20 0 CAADLP CC[N@@H+](C)C[C@H](O)CN(CCO)CC[NH+]1CCOCC1 ZINC000653563804 409474519 /nfs/dbraw/zinc/47/45/19/409474519.db2.gz AWJHNNWPSIKPCF-AWEZNQCLSA-N 2 2 289.420 -1.075 20 0 CAADLP COCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072222 409474582 /nfs/dbraw/zinc/47/45/82/409474582.db2.gz IZIJCWUVKDPUHQ-LLVKDONJSA-N 2 2 288.392 -1.171 20 0 CAADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659719415 409474589 /nfs/dbraw/zinc/47/45/89/409474589.db2.gz XBTLQLZHUATISA-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1[NH3+] ZINC000262043320 409476536 /nfs/dbraw/zinc/47/65/36/409476536.db2.gz PLSYBGPLVDMMLW-PSASIEDQSA-N 2 2 252.318 -1.137 20 0 CAADLP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1[NH3+] ZINC000262043320 409476540 /nfs/dbraw/zinc/47/65/40/409476540.db2.gz PLSYBGPLVDMMLW-PSASIEDQSA-N 2 2 252.318 -1.137 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000515350823 409478829 /nfs/dbraw/zinc/47/88/29/409478829.db2.gz DSILMRXEJNNNBS-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000515350823 409478835 /nfs/dbraw/zinc/47/88/35/409478835.db2.gz DSILMRXEJNNNBS-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000424186698 409479316 /nfs/dbraw/zinc/47/93/16/409479316.db2.gz SXFOJANYPAECOO-QJPTWQEYSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]21 ZINC000424186698 409479323 /nfs/dbraw/zinc/47/93/23/409479323.db2.gz SXFOJANYPAECOO-QJPTWQEYSA-N 2 2 269.345 -1.094 20 0 CAADLP CCOCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430631355 409480006 /nfs/dbraw/zinc/48/00/06/409480006.db2.gz AXRKUSFLIBBRML-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP CCOCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430631355 409480013 /nfs/dbraw/zinc/48/00/13/409480013.db2.gz AXRKUSFLIBBRML-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000246173234 409475963 /nfs/dbraw/zinc/47/59/63/409475963.db2.gz ZZQDWILAJCDZRJ-NWDGAFQWSA-N 2 2 268.361 -1.567 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000246173234 409475969 /nfs/dbraw/zinc/47/59/69/409475969.db2.gz ZZQDWILAJCDZRJ-NWDGAFQWSA-N 2 2 268.361 -1.567 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646335850 409487633 /nfs/dbraw/zinc/48/76/33/409487633.db2.gz AAHRDPAAFABPCQ-MNOVXSKESA-N 2 2 266.345 -1.371 20 0 CAADLP O[C@H](CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000653824852 409494954 /nfs/dbraw/zinc/49/49/54/409494954.db2.gz JKWSXRQNDRMSGA-MJBXVCDLSA-N 2 2 285.388 -1.570 20 0 CAADLP O[C@H](CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000653824852 409494958 /nfs/dbraw/zinc/49/49/58/409494958.db2.gz JKWSXRQNDRMSGA-MJBXVCDLSA-N 2 2 285.388 -1.570 20 0 CAADLP CN1C(=O)CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835326 409495133 /nfs/dbraw/zinc/49/51/33/409495133.db2.gz CSHAVYWQAKOSRI-VHSXEESVSA-N 2 2 254.334 -1.292 20 0 CAADLP CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835326 409495139 /nfs/dbraw/zinc/49/51/39/409495139.db2.gz CSHAVYWQAKOSRI-VHSXEESVSA-N 2 2 254.334 -1.292 20 0 CAADLP CN1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C[NH3+])C1 ZINC000646833194 409495346 /nfs/dbraw/zinc/49/53/46/409495346.db2.gz OUFVXQFOQBWBPT-SNVBAGLBSA-N 2 2 269.349 -2.481 20 0 CAADLP [NH3+]C1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000646664722 409492626 /nfs/dbraw/zinc/49/26/26/409492626.db2.gz RWXIOMZUTKXQKP-UHFFFAOYSA-N 2 2 254.334 -1.196 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000646634798 409493347 /nfs/dbraw/zinc/49/33/47/409493347.db2.gz KLGYTWICUQBIEY-JTQLQIEISA-N 2 2 256.350 -1.079 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000646634798 409493353 /nfs/dbraw/zinc/49/33/53/409493353.db2.gz KLGYTWICUQBIEY-JTQLQIEISA-N 2 2 256.350 -1.079 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659713612 409563333 /nfs/dbraw/zinc/56/33/33/409563333.db2.gz GCDUIJQJZAFCEK-NSHDSACASA-N 2 2 282.344 -1.993 20 0 CAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659704522 409564338 /nfs/dbraw/zinc/56/43/38/409564338.db2.gz ODIQGISTDQWWPE-RKDXNWHRSA-N 2 2 283.307 -1.066 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659713610 409564361 /nfs/dbraw/zinc/56/43/61/409564361.db2.gz GCDUIJQJZAFCEK-LLVKDONJSA-N 2 2 282.344 -1.993 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000659699271 409565780 /nfs/dbraw/zinc/56/57/80/409565780.db2.gz VBIVWGNSQLOLEA-MNOVXSKESA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000659699270 409565868 /nfs/dbraw/zinc/56/58/68/409565868.db2.gz VBIVWGNSQLOLEA-GHMZBOCLSA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000659699273 409566021 /nfs/dbraw/zinc/56/60/21/409566021.db2.gz VBIVWGNSQLOLEA-WDEREUQCSA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000659699272 409566327 /nfs/dbraw/zinc/56/63/27/409566327.db2.gz VBIVWGNSQLOLEA-QWRGUYRKSA-N 2 2 286.376 -1.453 20 0 CAADLP O[C@@H](CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000405381928 409512687 /nfs/dbraw/zinc/51/26/87/409512687.db2.gz JKWSXRQNDRMSGA-BFHYXJOUSA-N 2 2 285.388 -1.570 20 0 CAADLP O[C@@H](CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCOCC1 ZINC000405381928 409512689 /nfs/dbraw/zinc/51/26/89/409512689.db2.gz JKWSXRQNDRMSGA-BFHYXJOUSA-N 2 2 285.388 -1.570 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2nncn2C)CC1 ZINC000655946994 409519827 /nfs/dbraw/zinc/51/98/27/409519827.db2.gz PCMCVWJHLNDXGD-GFCCVEGCSA-N 2 2 268.365 -1.093 20 0 CAADLP C[N@@H+]1CCN(c2cncc(OCCO)n2)[C@H](C[NH3+])C1 ZINC000656606158 409533632 /nfs/dbraw/zinc/53/36/32/409533632.db2.gz OPQNANIUYLDAHP-SNVBAGLBSA-N 2 2 267.333 -1.073 20 0 CAADLP C[N@H+]1CCN(c2cncc(OCCO)n2)[C@H](C[NH3+])C1 ZINC000656606158 409533642 /nfs/dbraw/zinc/53/36/42/409533642.db2.gz OPQNANIUYLDAHP-SNVBAGLBSA-N 2 2 267.333 -1.073 20 0 CAADLP Nc1nc(N2CCC[C@H]2C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000624117175 409540345 /nfs/dbraw/zinc/54/03/45/409540345.db2.gz IMOFDYZBBSHIAK-VIFPVBQESA-N 2 2 279.348 -1.002 20 0 CAADLP C[C@H](O)C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624119016 409541149 /nfs/dbraw/zinc/54/11/49/409541149.db2.gz UZCOHHIRLXBWBR-YUMQZZPRSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@H](O)C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624119016 409541155 /nfs/dbraw/zinc/54/11/55/409541155.db2.gz UZCOHHIRLXBWBR-YUMQZZPRSA-N 2 2 267.337 -1.412 20 0 CAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000130296108 409544422 /nfs/dbraw/zinc/54/44/22/409544422.db2.gz ZNMABNLWGJHCCX-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659716640 409569495 /nfs/dbraw/zinc/56/94/95/409569495.db2.gz BNANQEHNACOOLR-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC000664002229 409628971 /nfs/dbraw/zinc/62/89/71/409628971.db2.gz HQLAPYHXXVNVLI-SRVKXCTJSA-N 2 2 286.376 -1.367 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC000664002229 409628980 /nfs/dbraw/zinc/62/89/80/409628980.db2.gz HQLAPYHXXVNVLI-SRVKXCTJSA-N 2 2 286.376 -1.367 20 0 CAADLP CO[C@@H]1C[NH+](CC(O)C[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777974 409632926 /nfs/dbraw/zinc/63/29/26/409632926.db2.gz JWVOPOQPFQVBFX-FDYHWXHSSA-N 2 2 290.360 -2.270 20 0 CAADLP CO[C@@H]1C[NH+](CC(O)C[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777974 409632937 /nfs/dbraw/zinc/63/29/37/409632937.db2.gz JWVOPOQPFQVBFX-FDYHWXHSSA-N 2 2 290.360 -2.270 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000659750350 409571691 /nfs/dbraw/zinc/57/16/91/409571691.db2.gz FWWQAYXGEXHECG-MNOVXSKESA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000659750350 409571697 /nfs/dbraw/zinc/57/16/97/409571697.db2.gz FWWQAYXGEXHECG-MNOVXSKESA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000659748937 409572307 /nfs/dbraw/zinc/57/23/07/409572307.db2.gz CFQFFENFLMLORF-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659753232 409573893 /nfs/dbraw/zinc/57/38/93/409573893.db2.gz MIMSVWDTMDBFBY-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000659750349 409574277 /nfs/dbraw/zinc/57/42/77/409574277.db2.gz FWWQAYXGEXHECG-GHMZBOCLSA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000659750349 409574284 /nfs/dbraw/zinc/57/42/84/409574284.db2.gz FWWQAYXGEXHECG-GHMZBOCLSA-N 2 2 286.376 -1.453 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000217776244 409579319 /nfs/dbraw/zinc/57/93/19/409579319.db2.gz QJKZVWWHBUQVJY-HBNTYKKESA-N 2 2 257.334 -1.190 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000217776244 409579322 /nfs/dbraw/zinc/57/93/22/409579322.db2.gz QJKZVWWHBUQVJY-HBNTYKKESA-N 2 2 257.334 -1.190 20 0 CAADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662277918 409586017 /nfs/dbraw/zinc/58/60/17/409586017.db2.gz VHKKHRLXIAUEOC-UWVGGRQHSA-N 2 2 263.363 -1.272 20 0 CAADLP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662277918 409586022 /nfs/dbraw/zinc/58/60/22/409586022.db2.gz VHKKHRLXIAUEOC-UWVGGRQHSA-N 2 2 263.363 -1.272 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259296 409586260 /nfs/dbraw/zinc/58/62/60/409586260.db2.gz UPWRHOFYBDTZDA-QWRGUYRKSA-N 2 2 277.390 -1.012 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259296 409586272 /nfs/dbraw/zinc/58/62/72/409586272.db2.gz UPWRHOFYBDTZDA-QWRGUYRKSA-N 2 2 277.390 -1.012 20 0 CAADLP CN1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662243618 409586441 /nfs/dbraw/zinc/58/64/41/409586441.db2.gz NPZDIOUWCHSSQC-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CN1CCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000662243618 409586448 /nfs/dbraw/zinc/58/64/48/409586448.db2.gz NPZDIOUWCHSSQC-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662444500 409595005 /nfs/dbraw/zinc/59/50/05/409595005.db2.gz HTRWZWDAVAPPBF-SNVBAGLBSA-N 2 2 282.348 -1.313 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662444500 409595013 /nfs/dbraw/zinc/59/50/13/409595013.db2.gz HTRWZWDAVAPPBF-SNVBAGLBSA-N 2 2 282.348 -1.313 20 0 CAADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000662516190 409597702 /nfs/dbraw/zinc/59/77/02/409597702.db2.gz BBAUJIMFMPVDQL-NSHDSACASA-N 2 2 259.350 -1.125 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)CN1CC[NH2+]CC1=O ZINC000662680237 409601396 /nfs/dbraw/zinc/60/13/96/409601396.db2.gz IDABWHRJEKMEID-UHFFFAOYSA-N 2 2 252.318 -1.632 20 0 CAADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)C1(O)C[NH2+]C1 ZINC000662676206 409601733 /nfs/dbraw/zinc/60/17/33/409601733.db2.gz ZZSQJPWYUAMZSY-UHFFFAOYSA-N 2 2 292.339 -1.131 20 0 CAADLP CC(C)[C@H](CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCOCC1 ZINC000662674083 409601925 /nfs/dbraw/zinc/60/19/25/409601925.db2.gz UQCXFAQZDIHSOT-NSHDSACASA-N 2 2 271.361 -1.206 20 0 CAADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1(O)C[NH2+]C1 ZINC000662670720 409602493 /nfs/dbraw/zinc/60/24/93/409602493.db2.gz HULMIPSDLYNCFX-UHFFFAOYSA-N 2 2 292.339 -1.131 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)C[NH3+])[C@H](C)CO1 ZINC000662632509 409603001 /nfs/dbraw/zinc/60/30/01/409603001.db2.gz DEWSCVPEPKBDPT-NXEZZACHSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])[C@H](C)CO1 ZINC000662632509 409603009 /nfs/dbraw/zinc/60/30/09/409603009.db2.gz DEWSCVPEPKBDPT-NXEZZACHSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)[C@@H](C)CO1 ZINC000662632051 409603621 /nfs/dbraw/zinc/60/36/21/409603621.db2.gz WZCBQJYOVYHQJM-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)[C@@H](C)CO1 ZINC000662632051 409603631 /nfs/dbraw/zinc/60/36/31/409603631.db2.gz WZCBQJYOVYHQJM-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000662660079 409603932 /nfs/dbraw/zinc/60/39/32/409603932.db2.gz XVLKXOGKCRXRDR-WDEREUQCSA-N 2 2 257.334 -1.201 20 0 CAADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662792081 409606726 /nfs/dbraw/zinc/60/67/26/409606726.db2.gz YUXYXFUVFLULIW-UHFFFAOYSA-N 2 2 270.377 -1.583 20 0 CAADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662792081 409606734 /nfs/dbraw/zinc/60/67/34/409606734.db2.gz YUXYXFUVFLULIW-UHFFFAOYSA-N 2 2 270.377 -1.583 20 0 CAADLP CC[NH+]1CCN(CCCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757798 409607805 /nfs/dbraw/zinc/60/78/05/409607805.db2.gz NVBBAAKARFLQPP-UHFFFAOYSA-N 2 2 284.404 -1.145 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662857380 409610148 /nfs/dbraw/zinc/61/01/48/409610148.db2.gz LJLYMCCAQBEEHD-UHFFFAOYSA-N 3 2 258.366 -1.680 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662857380 409610154 /nfs/dbraw/zinc/61/01/54/409610154.db2.gz LJLYMCCAQBEEHD-UHFFFAOYSA-N 3 2 258.366 -1.680 20 0 CAADLP Cn1cc[nH+]c1N1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662810422 409610448 /nfs/dbraw/zinc/61/04/48/409610448.db2.gz RGAYMVDQEBRURI-UHFFFAOYSA-N 2 2 279.344 -1.161 20 0 CAADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)C1(O)C[NH2+]C1 ZINC000662816107 409612270 /nfs/dbraw/zinc/61/22/70/409612270.db2.gz VZKKJRLVQBBLDG-UHFFFAOYSA-N 2 2 282.388 -1.347 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C2(O)C[NH2+]C2)[C@@H](C)CO1 ZINC000662861096 409612455 /nfs/dbraw/zinc/61/24/55/409612455.db2.gz XEONKJREBXWWJQ-VHSXEESVSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)[C@@H](C)CO1 ZINC000662861096 409612459 /nfs/dbraw/zinc/61/24/59/409612459.db2.gz XEONKJREBXWWJQ-VHSXEESVSA-N 2 2 257.334 -1.454 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662976290 409615795 /nfs/dbraw/zinc/61/57/95/409615795.db2.gz FIRWQJCVFATDGU-UHFFFAOYSA-N 2 2 266.345 -1.290 20 0 CAADLP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662956223 409615814 /nfs/dbraw/zinc/61/58/14/409615814.db2.gz XAWTYXPUQBMYRZ-NWDGAFQWSA-N 2 2 296.371 -1.521 20 0 CAADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2COCC[NH2+]2)n1 ZINC000430871917 409645633 /nfs/dbraw/zinc/64/56/33/409645633.db2.gz YNMWXNXJSXOXJR-JTQLQIEISA-N 2 2 267.333 -0.628 20 0 CAADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccon1 ZINC000647835259 409646560 /nfs/dbraw/zinc/64/65/60/409646560.db2.gz SFNXREMLWXHOPR-UHFFFAOYSA-N 2 2 267.333 -0.550 20 0 CAADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccon1 ZINC000647835259 409646567 /nfs/dbraw/zinc/64/65/67/409646567.db2.gz SFNXREMLWXHOPR-UHFFFAOYSA-N 2 2 267.333 -0.550 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000647828582 409668300 /nfs/dbraw/zinc/66/83/00/409668300.db2.gz WHNRSCNFBFVDNB-JTQLQIEISA-N 2 2 295.343 -0.600 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000647828582 409668306 /nfs/dbraw/zinc/66/83/06/409668306.db2.gz WHNRSCNFBFVDNB-JTQLQIEISA-N 2 2 295.343 -0.600 20 0 CAADLP Cc1nc(NC[C@@H]2C[NH2+]CCN2C)nc(N(C)C)[nH+]1 ZINC000420262124 409711495 /nfs/dbraw/zinc/71/14/95/409711495.db2.gz AEUKNZKJITXVQO-JTQLQIEISA-N 2 2 265.365 -0.438 20 0 CAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[NH2+]1 ZINC000444191726 409690794 /nfs/dbraw/zinc/69/07/94/409690794.db2.gz YIZJRNPEVSWRSZ-LLVKDONJSA-N 2 2 279.344 -0.484 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1C[C@@H](C)O ZINC000438885215 287165070 /nfs/dbraw/zinc/16/50/70/287165070.db2.gz SNCMNAVQEHVUOI-GMTAPVOTSA-N 2 2 286.376 -1.507 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000438885215 287165072 /nfs/dbraw/zinc/16/50/72/287165072.db2.gz SNCMNAVQEHVUOI-GMTAPVOTSA-N 2 2 286.376 -1.507 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001195701292 782014848 /nfs/dbraw/zinc/01/48/48/782014848.db2.gz LOEDJYNYZVWGFG-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001195701292 782014859 /nfs/dbraw/zinc/01/48/59/782014859.db2.gz LOEDJYNYZVWGFG-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701743 782015025 /nfs/dbraw/zinc/01/50/25/782015025.db2.gz QQENFWPTCZIHTI-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701743 782015034 /nfs/dbraw/zinc/01/50/34/782015034.db2.gz QQENFWPTCZIHTI-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195872430 782019369 /nfs/dbraw/zinc/01/93/69/782019369.db2.gz ZXKITVIPDKTUNW-IJLUTSLNSA-N 2 2 298.387 -1.670 20 0 CAADLP CN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195872430 782019381 /nfs/dbraw/zinc/01/93/81/782019381.db2.gz ZXKITVIPDKTUNW-IJLUTSLNSA-N 2 2 298.387 -1.670 20 0 CAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869987 782018965 /nfs/dbraw/zinc/01/89/65/782018965.db2.gz GQEUCCKAPMRJFP-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869987 782018973 /nfs/dbraw/zinc/01/89/73/782018973.db2.gz GQEUCCKAPMRJFP-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859950 782019335 /nfs/dbraw/zinc/01/93/35/782019335.db2.gz PHDIRGIYLXCRDP-GHMZBOCLSA-N 2 2 286.376 -1.812 20 0 CAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859950 782019344 /nfs/dbraw/zinc/01/93/44/782019344.db2.gz PHDIRGIYLXCRDP-GHMZBOCLSA-N 2 2 286.376 -1.812 20 0 CAADLP CN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195872427 782019904 /nfs/dbraw/zinc/01/99/04/782019904.db2.gz ZXKITVIPDKTUNW-GRYCIOLGSA-N 2 2 298.387 -1.670 20 0 CAADLP CN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001195872427 782019914 /nfs/dbraw/zinc/01/99/14/782019914.db2.gz ZXKITVIPDKTUNW-GRYCIOLGSA-N 2 2 298.387 -1.670 20 0 CAADLP CCCNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031349 174024863 /nfs/dbraw/zinc/02/48/63/174024863.db2.gz RYFJJVOJHGPHBA-UHFFFAOYSA-N 2 2 299.375 -1.414 20 0 CAADLP CCCNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031349 174024865 /nfs/dbraw/zinc/02/48/65/174024865.db2.gz RYFJJVOJHGPHBA-UHFFFAOYSA-N 2 2 299.375 -1.414 20 0 CAADLP CCNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031331 174024994 /nfs/dbraw/zinc/02/49/94/174024994.db2.gz FNDVVAARQIJGNE-UHFFFAOYSA-N 2 2 285.348 -1.804 20 0 CAADLP CCNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031331 174024995 /nfs/dbraw/zinc/02/49/95/174024995.db2.gz FNDVVAARQIJGNE-UHFFFAOYSA-N 2 2 285.348 -1.804 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031497 174025590 /nfs/dbraw/zinc/02/55/90/174025590.db2.gz UKJSXFPAGDGQLJ-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031497 174025593 /nfs/dbraw/zinc/02/55/93/174025593.db2.gz UKJSXFPAGDGQLJ-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP C[N@H+](CC(=O)NC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031508 174025694 /nfs/dbraw/zinc/02/56/94/174025694.db2.gz PZAMHOAIJCJHMF-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@@H+](CC(=O)NC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031508 174025697 /nfs/dbraw/zinc/02/56/97/174025697.db2.gz PZAMHOAIJCJHMF-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@H+](CCN1C(=O)CNC1=O)CC(=O)N1CC[NH2+]CC1 ZINC000038031422 174025863 /nfs/dbraw/zinc/02/58/63/174025863.db2.gz FXBXHASRKXLGRO-UHFFFAOYSA-N 2 2 283.332 -2.098 20 0 CAADLP C[N@@H+](CCN1C(=O)CNC1=O)CC(=O)N1CC[NH2+]CC1 ZINC000038031422 174025864 /nfs/dbraw/zinc/02/58/64/174025864.db2.gz FXBXHASRKXLGRO-UHFFFAOYSA-N 2 2 283.332 -2.098 20 0 CAADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031546 174026285 /nfs/dbraw/zinc/02/62/85/174026285.db2.gz KTKNZRLPSPMVLI-SECBINFHSA-N 2 2 285.348 -1.806 20 0 CAADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031546 174026286 /nfs/dbraw/zinc/02/62/86/174026286.db2.gz KTKNZRLPSPMVLI-SECBINFHSA-N 2 2 285.348 -1.806 20 0 CAADLP C[N@H+](CC(=O)NC(=O)NC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031433 174026296 /nfs/dbraw/zinc/02/62/96/174026296.db2.gz KRKYHMKSBWMNER-UHFFFAOYSA-N 2 2 297.359 -1.662 20 0 CAADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031433 174026298 /nfs/dbraw/zinc/02/62/98/174026298.db2.gz KRKYHMKSBWMNER-UHFFFAOYSA-N 2 2 297.359 -1.662 20 0 CAADLP C[N@H+](CC(=O)N1CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031506 174026405 /nfs/dbraw/zinc/02/64/05/174026405.db2.gz TYMZHWHSVFNZLG-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP C[N@@H+](CC(=O)N1CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031506 174026407 /nfs/dbraw/zinc/02/64/07/174026407.db2.gz TYMZHWHSVFNZLG-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC000352870697 227387931 /nfs/dbraw/zinc/38/79/31/227387931.db2.gz LGYNNTIAVAOQGN-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP C[C@H]([C@H](C)NC(=O)CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000347677199 226219991 /nfs/dbraw/zinc/21/99/91/226219991.db2.gz WMSMVHBNWVTEMA-VHSXEESVSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000347650655 226225149 /nfs/dbraw/zinc/22/51/49/226225149.db2.gz GYSLWADKSMGJFG-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000347650695 226225630 /nfs/dbraw/zinc/22/56/30/226225630.db2.gz GYSLWADKSMGJFG-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000347733509 226233958 /nfs/dbraw/zinc/23/39/58/226233958.db2.gz DJQLURNUUVZZBE-LLVKDONJSA-N 2 2 277.328 -1.395 20 0 CAADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000347733509 226233963 /nfs/dbraw/zinc/23/39/63/226233963.db2.gz DJQLURNUUVZZBE-LLVKDONJSA-N 2 2 277.328 -1.395 20 0 CAADLP NC(=O)[C@H]1C[NH+](CCCn2cc[nH+]c2)C[C@@H]1C(N)=O ZINC001196092540 782026548 /nfs/dbraw/zinc/02/65/48/782026548.db2.gz IHTHVCJNUSYISH-UWVGGRQHSA-N 2 2 265.317 -1.208 20 0 CAADLP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000048996818 230157999 /nfs/dbraw/zinc/15/79/99/230157999.db2.gz MENMDKIFLFOWOJ-UHFFFAOYSA-N 2 2 280.372 -1.028 20 0 CAADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000167266018 230187472 /nfs/dbraw/zinc/18/74/72/230187472.db2.gz SWUIXJMRAAYRQS-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000167266018 230187477 /nfs/dbraw/zinc/18/74/77/230187477.db2.gz SWUIXJMRAAYRQS-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP [NH3+]CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178804226 230196235 /nfs/dbraw/zinc/19/62/35/230196235.db2.gz XCZNGZYEAAWBAX-NSHDSACASA-N 2 2 284.360 -1.616 20 0 CAADLP C[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000189370069 230207344 /nfs/dbraw/zinc/20/73/44/230207344.db2.gz WMXSGNRNLDNJQP-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[NH+](C)C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCO1 ZINC000247194032 230215961 /nfs/dbraw/zinc/21/59/61/230215961.db2.gz OKKGRUOPNBRHHY-KBPBESRZSA-N 2 2 287.404 -1.058 20 0 CAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000261893430 230220446 /nfs/dbraw/zinc/22/04/46/230220446.db2.gz ALLCCROMDBSBDR-JTQLQIEISA-N 2 2 254.334 -1.114 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000261828915 230221542 /nfs/dbraw/zinc/22/15/42/230221542.db2.gz YQUBYZDGXZHDKG-NSHDSACASA-N 2 2 284.360 -1.697 20 0 CAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000262203571 230226433 /nfs/dbraw/zinc/22/64/33/230226433.db2.gz DIKAZIOLLAOKSX-SECBINFHSA-N 2 2 272.349 -1.632 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000262318274 230226688 /nfs/dbraw/zinc/22/66/88/230226688.db2.gz CMFNBUWDUALLPJ-PWSUYJOCSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262310531 230226754 /nfs/dbraw/zinc/22/67/54/230226754.db2.gz QJLUFEVJZIACPJ-YPMHNXCESA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262416609 230229736 /nfs/dbraw/zinc/22/97/36/230229736.db2.gz RFMMXGQBEUPUQF-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP [NH3+]C1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000262696640 230230072 /nfs/dbraw/zinc/23/00/72/230230072.db2.gz DYYJLHKEWZMAAF-NSHDSACASA-N 2 2 296.371 -1.473 20 0 CAADLP C[C@H](O)C[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336790189 230235717 /nfs/dbraw/zinc/23/57/17/230235717.db2.gz KXXDXQZRDXUMIP-NSHDSACASA-N 2 2 259.350 -1.565 20 0 CAADLP C[C@H](O)C[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336790189 230235723 /nfs/dbraw/zinc/23/57/23/230235723.db2.gz KXXDXQZRDXUMIP-NSHDSACASA-N 2 2 259.350 -1.565 20 0 CAADLP C[C@H](CC(N)=O)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358153418 230241262 /nfs/dbraw/zinc/24/12/62/230241262.db2.gz ITKYSAWSFHEAAD-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419420137 230254283 /nfs/dbraw/zinc/25/42/83/230254283.db2.gz JXMFINRONFPBSP-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419431282 230254688 /nfs/dbraw/zinc/25/46/88/230254688.db2.gz XELAPZKVGCNRJV-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423602434 230272628 /nfs/dbraw/zinc/27/26/28/230272628.db2.gz GCQBQAGOPXTIRH-NEPJUHHUSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423602441 230273368 /nfs/dbraw/zinc/27/33/68/230273368.db2.gz GCQBQAGOPXTIRH-RYUDHWBXSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000424199680 230282396 /nfs/dbraw/zinc/28/23/96/230282396.db2.gz ZFIPFTHASNNNHG-VWYCJHECSA-N 2 2 257.334 -1.190 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000424199680 230282400 /nfs/dbraw/zinc/28/24/00/230282400.db2.gz ZFIPFTHASNNNHG-VWYCJHECSA-N 2 2 257.334 -1.190 20 0 CAADLP C[C@H](C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000428651295 230294899 /nfs/dbraw/zinc/29/48/99/230294899.db2.gz LGKMKQZBOGZZLL-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCC(O)CC1 ZINC000430753825 230306678 /nfs/dbraw/zinc/30/66/78/230306678.db2.gz KFXHBWUUJSFDHA-UHFFFAOYSA-N 2 2 298.387 -1.619 20 0 CAADLP COCC[NH2+]CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430737053 230308395 /nfs/dbraw/zinc/30/83/95/230308395.db2.gz ABSSYQSQIRCARS-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000430924229 230310443 /nfs/dbraw/zinc/31/04/43/230310443.db2.gz IKBZKEVWFCEAHT-JTQLQIEISA-N 2 2 287.389 -1.021 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000430924229 230310445 /nfs/dbraw/zinc/31/04/45/230310445.db2.gz IKBZKEVWFCEAHT-JTQLQIEISA-N 2 2 287.389 -1.021 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000431012287 230310560 /nfs/dbraw/zinc/31/05/60/230310560.db2.gz ABFJCIIYIHKION-OLZOCXBDSA-N 2 2 284.404 -1.026 20 0 CAADLP [NH3+][C@H]1CC[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000431063557 230310750 /nfs/dbraw/zinc/31/07/50/230310750.db2.gz FPQUMMPJXPYGOT-RYUDHWBXSA-N 2 2 298.387 -1.322 20 0 CAADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756945 230330695 /nfs/dbraw/zinc/33/06/95/230330695.db2.gz LFLOWPLYIGAKJY-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756945 230330701 /nfs/dbraw/zinc/33/07/01/230330701.db2.gz LFLOWPLYIGAKJY-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[NH2+]CCO1 ZINC000521042580 260037218 /nfs/dbraw/zinc/03/72/18/260037218.db2.gz KZDWQGQJQJMEFG-SECBINFHSA-N 2 2 256.306 -2.477 20 0 CAADLP C[NH+]1CC2(CN(C[C@@H](O)C[NH+]3CCOCC3)C2)C1 ZINC001251024254 782037458 /nfs/dbraw/zinc/03/74/58/782037458.db2.gz RBAZRLYPBBBWAF-LBPRGKRZSA-N 2 2 255.362 -1.073 20 0 CAADLP CC(C)C[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000236841939 262620268 /nfs/dbraw/zinc/62/02/68/262620268.db2.gz YKNXGIUZVSTVIB-SNVBAGLBSA-N 2 2 256.350 -1.092 20 0 CAADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196501401 782038845 /nfs/dbraw/zinc/03/88/45/782038845.db2.gz YOOLGOVXORHWBE-IJLUTSLNSA-N 2 2 282.344 -1.012 20 0 CAADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196501401 782038853 /nfs/dbraw/zinc/03/88/53/782038853.db2.gz YOOLGOVXORHWBE-IJLUTSLNSA-N 2 2 282.344 -1.012 20 0 CAADLP CNC(=O)NC[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000530232041 269094736 /nfs/dbraw/zinc/09/47/36/269094736.db2.gz VSPQWFJICFSXNZ-SNVBAGLBSA-N 2 2 260.338 -1.409 20 0 CAADLP CNC(=O)NC[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000530232041 269094737 /nfs/dbraw/zinc/09/47/37/269094737.db2.gz VSPQWFJICFSXNZ-SNVBAGLBSA-N 2 2 260.338 -1.409 20 0 CAADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C[NH+]1CCOCC1 ZINC000237544064 269086983 /nfs/dbraw/zinc/08/69/83/269086983.db2.gz RATFIIBBXILSTL-LBPRGKRZSA-N 2 2 298.387 -1.497 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCOCC1 ZINC000238106752 269087025 /nfs/dbraw/zinc/08/70/25/269087025.db2.gz FMCNRLPRIFJILG-UHFFFAOYSA-N 2 2 270.333 -2.133 20 0 CAADLP C[NH+](C)CCn1ccc(NC(=O)CN2CC[NH2+]CC2=O)n1 ZINC000236998515 269087305 /nfs/dbraw/zinc/08/73/05/269087305.db2.gz NEAATRQHQMTIHI-UHFFFAOYSA-N 2 2 294.359 -1.185 20 0 CAADLP C[C@@H](CC[NH+](C)C)NC(=O)CN1CC[NH2+]CC1=O ZINC000237550430 269087360 /nfs/dbraw/zinc/08/73/60/269087360.db2.gz AASJMGNDEDCPKO-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237472639 269087438 /nfs/dbraw/zinc/08/74/38/269087438.db2.gz FCOLZRWYQKMYHW-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237396357 269087477 /nfs/dbraw/zinc/08/74/77/269087477.db2.gz HXPCUPBOOJCGQV-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCOCC1 ZINC000237544355 269087595 /nfs/dbraw/zinc/08/75/95/269087595.db2.gz GJCFUHBZMLHSQQ-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237395929 269087647 /nfs/dbraw/zinc/08/76/47/269087647.db2.gz FCOLZRWYQKMYHW-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP COCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237256608 269087658 /nfs/dbraw/zinc/08/76/58/269087658.db2.gz RJQZPAJOHPNJLL-UHFFFAOYSA-N 2 2 272.349 -1.887 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237256608 269087660 /nfs/dbraw/zinc/08/76/60/269087660.db2.gz RJQZPAJOHPNJLL-UHFFFAOYSA-N 2 2 272.349 -1.887 20 0 CAADLP CC(C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236827423 269087688 /nfs/dbraw/zinc/08/76/88/269087688.db2.gz ZAJJJZJJRBPKGT-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP COC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000311934192 269087936 /nfs/dbraw/zinc/08/79/36/269087936.db2.gz WKTIZLXRKWYEFX-CYBMUJFWSA-N 2 2 271.361 -1.251 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[NH+]2CCN(C(C)=O)CC2)C1 ZINC000517028373 269088859 /nfs/dbraw/zinc/08/88/59/269088859.db2.gz BKOUNAWIRKPDIR-QWHCGFSZSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH2+][C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000520838044 269089667 /nfs/dbraw/zinc/08/96/67/269089667.db2.gz OMOSUGBVJRFCGA-NSHDSACASA-N 2 2 287.360 -1.072 20 0 CAADLP CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000522001311 269090172 /nfs/dbraw/zinc/09/01/72/269090172.db2.gz PKYSRISQMMVKGF-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000528633635 269092480 /nfs/dbraw/zinc/09/24/80/269092480.db2.gz IHICSFUJQPMYAW-TUAOUCFPSA-N 2 2 298.387 -1.541 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000528633635 269092482 /nfs/dbraw/zinc/09/24/82/269092482.db2.gz IHICSFUJQPMYAW-TUAOUCFPSA-N 2 2 298.387 -1.541 20 0 CAADLP CN1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000529357525 269093529 /nfs/dbraw/zinc/09/35/29/269093529.db2.gz CQWYOTYZXQJWTR-WDEREUQCSA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000529357525 269093530 /nfs/dbraw/zinc/09/35/30/269093530.db2.gz CQWYOTYZXQJWTR-WDEREUQCSA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000529357522 269093729 /nfs/dbraw/zinc/09/37/29/269093729.db2.gz CQWYOTYZXQJWTR-GHMZBOCLSA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000529357522 269093731 /nfs/dbraw/zinc/09/37/31/269093731.db2.gz CQWYOTYZXQJWTR-GHMZBOCLSA-N 2 2 283.376 -1.109 20 0 CAADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000529389067 269093821 /nfs/dbraw/zinc/09/38/21/269093821.db2.gz QIWQTRBZPIUFPR-MNOVXSKESA-N 3 2 271.365 -1.741 20 0 CAADLP C[N@H+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000529389067 269093822 /nfs/dbraw/zinc/09/38/22/269093822.db2.gz QIWQTRBZPIUFPR-MNOVXSKESA-N 3 2 271.365 -1.741 20 0 CAADLP CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530223094 269094518 /nfs/dbraw/zinc/09/45/18/269094518.db2.gz MQXRYTAXCIZKME-NSHDSACASA-N 2 2 283.376 -1.107 20 0 CAADLP CC[C@H](C(N)=O)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530223091 269094618 /nfs/dbraw/zinc/09/46/18/269094618.db2.gz MQXRYTAXCIZKME-LLVKDONJSA-N 2 2 283.376 -1.107 20 0 CAADLP CN1CC[C@@H]([NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1=O ZINC000530222360 269094717 /nfs/dbraw/zinc/09/47/17/269094717.db2.gz JGEHGDWNRXMMJK-GFCCVEGCSA-N 2 2 295.387 -1.140 20 0 CAADLP CNC(=O)NC[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000530232040 269094823 /nfs/dbraw/zinc/09/48/23/269094823.db2.gz VSPQWFJICFSXNZ-JTQLQIEISA-N 2 2 260.338 -1.409 20 0 CAADLP CNC(=O)NC[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000530232040 269094824 /nfs/dbraw/zinc/09/48/24/269094824.db2.gz VSPQWFJICFSXNZ-JTQLQIEISA-N 2 2 260.338 -1.409 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000514947654 274023713 /nfs/dbraw/zinc/02/37/13/274023713.db2.gz GYXNZWQGOVKWGT-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000514947654 274023711 /nfs/dbraw/zinc/02/37/11/274023711.db2.gz GYXNZWQGOVKWGT-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000514947654 274023705 /nfs/dbraw/zinc/02/37/05/274023705.db2.gz GYXNZWQGOVKWGT-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(N)=O ZINC000514947654 274023709 /nfs/dbraw/zinc/02/37/09/274023709.db2.gz GYXNZWQGOVKWGT-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000104945817 276412512 /nfs/dbraw/zinc/41/25/12/276412512.db2.gz IPBFQWXHPVIOFI-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374572807 277106694 /nfs/dbraw/zinc/10/66/94/277106694.db2.gz RBZSEHRODJHHEX-RYUDHWBXSA-N 2 2 299.371 -1.241 20 0 CAADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374572807 277106696 /nfs/dbraw/zinc/10/66/96/277106696.db2.gz RBZSEHRODJHHEX-RYUDHWBXSA-N 2 2 299.371 -1.241 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000178725151 277126844 /nfs/dbraw/zinc/12/68/44/277126844.db2.gz ZZQDWILAJCDZRJ-NEPJUHHUSA-N 2 2 268.361 -1.567 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000178725151 277126845 /nfs/dbraw/zinc/12/68/45/277126845.db2.gz ZZQDWILAJCDZRJ-NEPJUHHUSA-N 2 2 268.361 -1.567 20 0 CAADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000431002987 278206869 /nfs/dbraw/zinc/20/68/69/278206869.db2.gz FCGIFHYEJGIAAO-CHWSQXEVSA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000431002987 278206870 /nfs/dbraw/zinc/20/68/70/278206870.db2.gz FCGIFHYEJGIAAO-CHWSQXEVSA-N 2 2 284.404 -1.026 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963745 280291642 /nfs/dbraw/zinc/29/16/42/280291642.db2.gz HJTIFTTYJJSAQN-GHMZBOCLSA-N 2 2 266.345 -1.371 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963745 280291644 /nfs/dbraw/zinc/29/16/44/280291644.db2.gz HJTIFTTYJJSAQN-GHMZBOCLSA-N 2 2 266.345 -1.371 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1C[C@H](C)O ZINC000438885216 280375983 /nfs/dbraw/zinc/37/59/83/280375983.db2.gz SNCMNAVQEHVUOI-HBNTYKKESA-N 2 2 286.376 -1.507 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1C[C@H](C)O ZINC000438885216 280375985 /nfs/dbraw/zinc/37/59/85/280375985.db2.gz SNCMNAVQEHVUOI-HBNTYKKESA-N 2 2 286.376 -1.507 20 0 CAADLP C[NH+](C)C/C=C\C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000492722793 289039829 /nfs/dbraw/zinc/03/98/29/289039829.db2.gz VNHDWDQNEWWEEL-QMAVJUDZSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)C/C=C\C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000492722793 289039830 /nfs/dbraw/zinc/03/98/30/289039830.db2.gz VNHDWDQNEWWEEL-QMAVJUDZSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000176483103 289076611 /nfs/dbraw/zinc/07/66/11/289076611.db2.gz HOECLYNAGYRLBJ-LBPRGKRZSA-N 2 2 259.350 -1.253 20 0 CAADLP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000351542308 289639897 /nfs/dbraw/zinc/63/98/97/289639897.db2.gz QYJHSJVWLDDCFX-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]([C@H](C)NC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419682831 290202508 /nfs/dbraw/zinc/20/25/08/290202508.db2.gz KGGQIJNYNRAZGF-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198021294 782060624 /nfs/dbraw/zinc/06/06/24/782060624.db2.gz WLYALNTUKRFCIW-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198021294 782060629 /nfs/dbraw/zinc/06/06/29/782060629.db2.gz WLYALNTUKRFCIW-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198021294 782060643 /nfs/dbraw/zinc/06/06/43/782060643.db2.gz WLYALNTUKRFCIW-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001198021294 782060655 /nfs/dbraw/zinc/06/06/55/782060655.db2.gz WLYALNTUKRFCIW-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198021295 782061610 /nfs/dbraw/zinc/06/16/10/782061610.db2.gz WLYALNTUKRFCIW-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198021295 782061616 /nfs/dbraw/zinc/06/16/16/782061616.db2.gz WLYALNTUKRFCIW-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198021295 782061618 /nfs/dbraw/zinc/06/16/18/782061618.db2.gz WLYALNTUKRFCIW-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001198021295 782061627 /nfs/dbraw/zinc/06/16/27/782061627.db2.gz WLYALNTUKRFCIW-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP [NH3+]CC(=O)NCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000125222796 295216989 /nfs/dbraw/zinc/21/69/89/295216989.db2.gz CQESHNCDRCVVGL-LBPRGKRZSA-N 2 2 298.387 -1.225 20 0 CAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423607994 297101564 /nfs/dbraw/zinc/10/15/64/297101564.db2.gz NDPAKIXZQJPGHR-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423624601 297112217 /nfs/dbraw/zinc/11/22/17/297112217.db2.gz DIEZDEXQOUZEAO-WDEREUQCSA-N 2 2 268.361 -1.031 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535269 298638452 /nfs/dbraw/zinc/63/84/52/298638452.db2.gz DZQMPTGXGMJEMX-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000575312920 335091962 /nfs/dbraw/zinc/09/19/62/335091962.db2.gz HKZKVXGUASUHNF-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000575312920 335091961 /nfs/dbraw/zinc/09/19/61/335091961.db2.gz HKZKVXGUASUHNF-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292182 782064149 /nfs/dbraw/zinc/06/41/49/782064149.db2.gz KQCLNDBBRSZVSD-RAIGVLPGSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292182 782064160 /nfs/dbraw/zinc/06/41/60/782064160.db2.gz KQCLNDBBRSZVSD-RAIGVLPGSA-N 2 2 296.371 -1.105 20 0 CAADLP [NH3+]CC(F)(F)CNC(=O)CN1CC[NH2+]CC1=O ZINC000570841957 327624666 /nfs/dbraw/zinc/62/46/66/327624666.db2.gz OZSJTVUUTPJYOC-UHFFFAOYSA-N 2 2 250.249 -1.872 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001199105009 782075328 /nfs/dbraw/zinc/07/53/28/782075328.db2.gz YKCOSZZVPGMBLG-GMTAPVOTSA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001199105009 782075338 /nfs/dbraw/zinc/07/53/38/782075338.db2.gz YKCOSZZVPGMBLG-GMTAPVOTSA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001199105009 782075342 /nfs/dbraw/zinc/07/53/42/782075342.db2.gz YKCOSZZVPGMBLG-GMTAPVOTSA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001199105009 782075347 /nfs/dbraw/zinc/07/53/47/782075347.db2.gz YKCOSZZVPGMBLG-GMTAPVOTSA-N 2 2 286.376 -1.638 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000574907252 327638139 /nfs/dbraw/zinc/63/81/39/327638139.db2.gz JCABKHIQKJYQFY-UHFFFAOYSA-N 2 2 270.333 -2.135 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199405646 782079362 /nfs/dbraw/zinc/07/93/62/782079362.db2.gz HVDLMKQXZPUBFD-VXGBXAGGSA-N 2 2 298.343 -1.947 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001199405646 782079373 /nfs/dbraw/zinc/07/93/73/782079373.db2.gz HVDLMKQXZPUBFD-VXGBXAGGSA-N 2 2 298.343 -1.947 20 0 CAADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NC[C@@H](O)CO)CC1 ZINC001199360943 782079645 /nfs/dbraw/zinc/07/96/45/782079645.db2.gz OHGLODHNIBLKLZ-LLVKDONJSA-N 2 2 294.355 -1.084 20 0 CAADLP O=C(CNC(=O)[C@]12C[C@H]1CC[NH2+]2)NCC[NH+]1CCOCC1 ZINC000580332134 327878572 /nfs/dbraw/zinc/87/85/72/327878572.db2.gz FXPPODPHJTVYTR-RISCZKNCSA-N 2 2 296.371 -1.697 20 0 CAADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CCO)CC1 ZINC000534268990 328042845 /nfs/dbraw/zinc/04/28/45/328042845.db2.gz PILFIMJRNXIRJD-CYBMUJFWSA-N 2 2 282.388 -1.487 20 0 CAADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CCO)CC1 ZINC000534268990 328042847 /nfs/dbraw/zinc/04/28/47/328042847.db2.gz PILFIMJRNXIRJD-CYBMUJFWSA-N 2 2 282.388 -1.487 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453549 328067488 /nfs/dbraw/zinc/06/74/88/328067488.db2.gz DGWVWFBHRUZMAF-QWRGUYRKSA-N 2 2 284.360 -1.699 20 0 CAADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563628559 328078535 /nfs/dbraw/zinc/07/85/35/328078535.db2.gz DAGLHTXOIJEUCP-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000563628559 328078537 /nfs/dbraw/zinc/07/85/37/328078537.db2.gz DAGLHTXOIJEUCP-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000571336850 328111442 /nfs/dbraw/zinc/11/14/42/328111442.db2.gz PLJXEWMLINZDBA-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000571336850 328111443 /nfs/dbraw/zinc/11/14/43/328111443.db2.gz PLJXEWMLINZDBA-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP CC1(CNC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]CC1 ZINC000582963805 329290698 /nfs/dbraw/zinc/29/06/98/329290698.db2.gz JHFWQKKVORLKRM-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP CCS(=O)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000582964543 329291861 /nfs/dbraw/zinc/29/18/61/329291861.db2.gz ADUMWPABZVOUPK-UHFFFAOYSA-N 2 2 290.433 -1.141 20 0 CAADLP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000583510125 328589150 /nfs/dbraw/zinc/58/91/50/328589150.db2.gz HSLLEHYKUJHJJM-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[NH+]1CCOCC1 ZINC000580431385 330131212 /nfs/dbraw/zinc/13/12/12/330131212.db2.gz KMCKLFDYHNUSBH-RYUDHWBXSA-N 2 2 261.366 -1.808 20 0 CAADLP CC[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000584051613 326907982 /nfs/dbraw/zinc/90/79/82/326907982.db2.gz HSDYLZOKCGJWEG-SNVBAGLBSA-N 2 2 272.349 -1.712 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297489 327000923 /nfs/dbraw/zinc/00/09/23/327000923.db2.gz UEUXBLPLZIEGRG-JTQLQIEISA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000584113338 327040367 /nfs/dbraw/zinc/04/03/67/327040367.db2.gz NGZSKGYWKSZROX-UONOGXRCSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000584113338 327040368 /nfs/dbraw/zinc/04/03/68/327040368.db2.gz NGZSKGYWKSZROX-UONOGXRCSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000584113338 327040369 /nfs/dbraw/zinc/04/03/69/327040369.db2.gz NGZSKGYWKSZROX-UONOGXRCSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000584113338 327040370 /nfs/dbraw/zinc/04/03/70/327040370.db2.gz NGZSKGYWKSZROX-UONOGXRCSA-N 2 2 287.404 -1.276 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000566175333 327155699 /nfs/dbraw/zinc/15/56/99/327155699.db2.gz NVLOZCZGZCWCSJ-JTQLQIEISA-N 2 2 295.343 -1.056 20 0 CAADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000569576815 327200740 /nfs/dbraw/zinc/20/07/40/327200740.db2.gz MWCZFBBDLGFGGG-VIFPVBQESA-N 2 2 283.332 -1.923 20 0 CAADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000569576815 327200741 /nfs/dbraw/zinc/20/07/41/327200741.db2.gz MWCZFBBDLGFGGG-VIFPVBQESA-N 2 2 283.332 -1.923 20 0 CAADLP CN1CC[NH2+]C[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000574451588 327334591 /nfs/dbraw/zinc/33/45/91/327334591.db2.gz CGQFOUXTOIWSGC-SNVBAGLBSA-N 2 2 269.349 -2.562 20 0 CAADLP CN1CC[NH2+]C[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000574451587 327334596 /nfs/dbraw/zinc/33/45/96/327334596.db2.gz CGQFOUXTOIWSGC-JTQLQIEISA-N 2 2 269.349 -2.562 20 0 CAADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000583412486 327350198 /nfs/dbraw/zinc/35/01/98/327350198.db2.gz HBJIWJQFWDZUGT-VIFPVBQESA-N 2 2 258.322 -1.118 20 0 CAADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000583412486 327350199 /nfs/dbraw/zinc/35/01/99/327350199.db2.gz HBJIWJQFWDZUGT-VIFPVBQESA-N 2 2 258.322 -1.118 20 0 CAADLP CCN1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000561217830 327376623 /nfs/dbraw/zinc/37/66/23/327376623.db2.gz SCDNAMYQRDRMMV-GHMZBOCLSA-N 2 2 283.376 -1.109 20 0 CAADLP CCN1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000561217830 327376624 /nfs/dbraw/zinc/37/66/24/327376624.db2.gz SCDNAMYQRDRMMV-GHMZBOCLSA-N 2 2 283.376 -1.109 20 0 CAADLP CCN1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000561217831 327376674 /nfs/dbraw/zinc/37/66/74/327376674.db2.gz SCDNAMYQRDRMMV-MNOVXSKESA-N 2 2 283.376 -1.109 20 0 CAADLP CCN1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000561217831 327376676 /nfs/dbraw/zinc/37/66/76/327376676.db2.gz SCDNAMYQRDRMMV-MNOVXSKESA-N 2 2 283.376 -1.109 20 0 CAADLP CCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494498 327398901 /nfs/dbraw/zinc/39/89/01/327398901.db2.gz ABIJYRONMVFECU-UWVGGRQHSA-N 2 2 297.359 -1.534 20 0 CAADLP CCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494498 327398903 /nfs/dbraw/zinc/39/89/03/327398903.db2.gz ABIJYRONMVFECU-UWVGGRQHSA-N 2 2 297.359 -1.534 20 0 CAADLP CCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494501 327398923 /nfs/dbraw/zinc/39/89/23/327398923.db2.gz ABIJYRONMVFECU-ZJUUUORDSA-N 2 2 297.359 -1.534 20 0 CAADLP CCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494501 327398925 /nfs/dbraw/zinc/39/89/25/327398925.db2.gz ABIJYRONMVFECU-ZJUUUORDSA-N 2 2 297.359 -1.534 20 0 CAADLP CCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494499 327398936 /nfs/dbraw/zinc/39/89/36/327398936.db2.gz ABIJYRONMVFECU-VHSXEESVSA-N 2 2 297.359 -1.534 20 0 CAADLP CCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494499 327398937 /nfs/dbraw/zinc/39/89/37/327398937.db2.gz ABIJYRONMVFECU-VHSXEESVSA-N 2 2 297.359 -1.534 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000569808042 327548066 /nfs/dbraw/zinc/54/80/66/327548066.db2.gz SRVMEFINOSQCQF-UHFFFAOYSA-N 2 2 254.334 -1.432 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582677421 329127243 /nfs/dbraw/zinc/12/72/43/329127243.db2.gz PWQRXXIYSDIIIQ-JHJVBQTASA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582677422 329127422 /nfs/dbraw/zinc/12/74/22/329127422.db2.gz PWQRXXIYSDIIIQ-UPJWGTAASA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582797387 329209462 /nfs/dbraw/zinc/20/94/62/329209462.db2.gz OMCZATBPRYUIJT-MNOVXSKESA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582797387 329209464 /nfs/dbraw/zinc/20/94/64/329209464.db2.gz OMCZATBPRYUIJT-MNOVXSKESA-N 2 2 284.360 -1.699 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582964004 329290976 /nfs/dbraw/zinc/29/09/76/329290976.db2.gz PSEHXJCRSFMXBD-TXEJJXNPSA-N 2 2 280.372 -1.124 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000583211928 329368305 /nfs/dbraw/zinc/36/83/05/329368305.db2.gz HODAKMPINNDAEW-AGIUHOORSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000583211928 329368307 /nfs/dbraw/zinc/36/83/07/329368307.db2.gz HODAKMPINNDAEW-AGIUHOORSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000583211928 329368309 /nfs/dbraw/zinc/36/83/09/329368309.db2.gz HODAKMPINNDAEW-AGIUHOORSA-N 2 2 276.377 -1.399 20 0 CAADLP CC(C)(CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000584519843 329509947 /nfs/dbraw/zinc/50/99/47/329509947.db2.gz HHBIALNNMXAERC-UHFFFAOYSA-N 2 2 284.360 -1.699 20 0 CAADLP CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162379549 330005966 /nfs/dbraw/zinc/00/59/66/330005966.db2.gz GBWJVZRZDYKWST-JTQLQIEISA-N 2 2 292.405 -1.631 20 0 CAADLP CCS(=O)(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162379549 330005967 /nfs/dbraw/zinc/00/59/67/330005967.db2.gz GBWJVZRZDYKWST-JTQLQIEISA-N 2 2 292.405 -1.631 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000572405465 330064113 /nfs/dbraw/zinc/06/41/13/330064113.db2.gz NENVSSJATZAQFC-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000572405465 330064115 /nfs/dbraw/zinc/06/41/15/330064115.db2.gz NENVSSJATZAQFC-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)CCN2C1=O ZINC000572424244 330067674 /nfs/dbraw/zinc/06/76/74/330067674.db2.gz AVOGWMPMOPFYPK-IJLUTSLNSA-N 2 2 296.371 -1.475 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)CCN2C1=O ZINC000572424244 330067675 /nfs/dbraw/zinc/06/76/75/330067675.db2.gz AVOGWMPMOPFYPK-IJLUTSLNSA-N 2 2 296.371 -1.475 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CSCC2=O)[C@@H](C[NH3+])C1 ZINC000162655865 330101342 /nfs/dbraw/zinc/10/13/42/330101342.db2.gz ZAXTXJQRHHDTRQ-VIFPVBQESA-N 2 2 272.374 -1.379 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CSCC2=O)[C@@H](C[NH3+])C1 ZINC000162655865 330101343 /nfs/dbraw/zinc/10/13/43/330101343.db2.gz ZAXTXJQRHHDTRQ-VIFPVBQESA-N 2 2 272.374 -1.379 20 0 CAADLP C[C@H]([C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000580467154 330143779 /nfs/dbraw/zinc/14/37/79/330143779.db2.gz UJIKCMOQFBBYOC-TUAOUCFPSA-N 2 2 298.387 -1.310 20 0 CAADLP CNC(=O)CC[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000575822508 335119317 /nfs/dbraw/zinc/11/93/17/335119317.db2.gz BYDBDIWGMJFXNX-NSHDSACASA-N 2 2 261.366 -1.007 20 0 CAADLP CNC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000575822508 335119318 /nfs/dbraw/zinc/11/93/18/335119318.db2.gz BYDBDIWGMJFXNX-NSHDSACASA-N 2 2 261.366 -1.007 20 0 CAADLP CNC(=O)CC[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000575822508 335119319 /nfs/dbraw/zinc/11/93/19/335119319.db2.gz BYDBDIWGMJFXNX-NSHDSACASA-N 2 2 261.366 -1.007 20 0 CAADLP CNC(=O)CC[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000575822508 335119321 /nfs/dbraw/zinc/11/93/21/335119321.db2.gz BYDBDIWGMJFXNX-NSHDSACASA-N 2 2 261.366 -1.007 20 0 CAADLP NC(=O)c1c[nH+]ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000516902445 333085814 /nfs/dbraw/zinc/08/58/14/333085814.db2.gz NNNAVIJVQZHOHD-UHFFFAOYSA-N 2 2 277.328 -1.164 20 0 CAADLP NC(=O)c1c[nH+]ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000516902445 333085815 /nfs/dbraw/zinc/08/58/15/333085815.db2.gz NNNAVIJVQZHOHD-UHFFFAOYSA-N 2 2 277.328 -1.164 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000572528982 333382677 /nfs/dbraw/zinc/38/26/77/333382677.db2.gz DMCSSOJEDQLONK-NEPJUHHUSA-N 3 2 272.393 -1.210 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000572528982 333382679 /nfs/dbraw/zinc/38/26/79/333382679.db2.gz DMCSSOJEDQLONK-NEPJUHHUSA-N 3 2 272.393 -1.210 20 0 CAADLP O=C1C[NH+](CCCC[N@@H+]2CCNC(=O)C2)CCN1 ZINC000077247190 334099974 /nfs/dbraw/zinc/09/99/74/334099974.db2.gz GDUCVBIAUJTNBZ-UHFFFAOYSA-N 2 2 254.334 -1.370 20 0 CAADLP O=C1C[NH+](CCCC[N@H+]2CCNC(=O)C2)CCN1 ZINC000077247190 334099979 /nfs/dbraw/zinc/09/99/79/334099979.db2.gz GDUCVBIAUJTNBZ-UHFFFAOYSA-N 2 2 254.334 -1.370 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564331224 334118924 /nfs/dbraw/zinc/11/89/24/334118924.db2.gz UAUSPVJNWVNZSH-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564331224 334118925 /nfs/dbraw/zinc/11/89/25/334118925.db2.gz UAUSPVJNWVNZSH-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564331227 334118952 /nfs/dbraw/zinc/11/89/52/334118952.db2.gz UAUSPVJNWVNZSH-UWVGGRQHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564331227 334118953 /nfs/dbraw/zinc/11/89/53/334118953.db2.gz UAUSPVJNWVNZSH-UWVGGRQHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564331229 334119025 /nfs/dbraw/zinc/11/90/25/334119025.db2.gz UAUSPVJNWVNZSH-ZJUUUORDSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000564331229 334119027 /nfs/dbraw/zinc/11/90/27/334119027.db2.gz UAUSPVJNWVNZSH-ZJUUUORDSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC000249505517 334334944 /nfs/dbraw/zinc/33/49/44/334334944.db2.gz KLVAJERBVNVDGL-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC000249505517 334334945 /nfs/dbraw/zinc/33/49/45/334334945.db2.gz KLVAJERBVNVDGL-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC000249505517 334334946 /nfs/dbraw/zinc/33/49/46/334334946.db2.gz KLVAJERBVNVDGL-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC000249505517 334334947 /nfs/dbraw/zinc/33/49/47/334334947.db2.gz KLVAJERBVNVDGL-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP [NH3+]C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000564796213 334521070 /nfs/dbraw/zinc/52/10/70/334521070.db2.gz BAXZEWMKILRSKU-SNVBAGLBSA-N 2 2 254.334 -1.385 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564933678 334529059 /nfs/dbraw/zinc/52/90/59/334529059.db2.gz XGLUNTKMTSRHNQ-LBPRGKRZSA-N 2 2 295.387 -2.076 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@@H]1[NH3+] ZINC000566201230 334635490 /nfs/dbraw/zinc/63/54/90/334635490.db2.gz CXDZUBNCJWVJPO-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567817092 334763972 /nfs/dbraw/zinc/76/39/72/334763972.db2.gz KJURVEDZIHPCJG-MNOVXSKESA-N 2 2 266.345 -1.514 20 0 CAADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000567838071 334766630 /nfs/dbraw/zinc/76/66/30/334766630.db2.gz LCMGZXJVQVQWHN-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000567912771 334775180 /nfs/dbraw/zinc/77/51/80/334775180.db2.gz UNLYTPZHTUDNLS-MNOVXSKESA-N 2 2 282.344 -1.993 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000576584238 335222291 /nfs/dbraw/zinc/22/22/91/335222291.db2.gz BQZTWIJTJPUWAT-MRVPVSSYSA-N 2 2 276.287 -1.516 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580560642 335281189 /nfs/dbraw/zinc/28/11/89/335281189.db2.gz QKRUPTZOALZITP-MNOVXSKESA-N 2 2 266.345 -1.371 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580563191 335286549 /nfs/dbraw/zinc/28/65/49/335286549.db2.gz GKGOTRYALVCOAC-NSHDSACASA-N 2 2 286.376 -1.453 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580563191 335286550 /nfs/dbraw/zinc/28/65/50/335286550.db2.gz GKGOTRYALVCOAC-NSHDSACASA-N 2 2 286.376 -1.453 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCOCC2)[C@H](C[NH3+])C1 ZINC000580564664 335287139 /nfs/dbraw/zinc/28/71/39/335287139.db2.gz CVXGHPUGFDQAPV-LLVKDONJSA-N 2 2 256.350 -1.580 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCOCC2)[C@H](C[NH3+])C1 ZINC000580564664 335287141 /nfs/dbraw/zinc/28/71/41/335287141.db2.gz CVXGHPUGFDQAPV-LLVKDONJSA-N 2 2 256.350 -1.580 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000580564665 335287203 /nfs/dbraw/zinc/28/72/03/335287203.db2.gz CVXGHPUGFDQAPV-NSHDSACASA-N 2 2 256.350 -1.580 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000580564665 335287204 /nfs/dbraw/zinc/28/72/04/335287204.db2.gz CVXGHPUGFDQAPV-NSHDSACASA-N 2 2 256.350 -1.580 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000577766213 335399195 /nfs/dbraw/zinc/39/91/95/335399195.db2.gz WXHINEQKHVZPPR-UTUOFQBUSA-N 2 2 262.350 -1.071 20 0 CAADLP C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000578320822 335607798 /nfs/dbraw/zinc/60/77/98/335607798.db2.gz DYIFJSXXECYQLL-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000578530109 335646242 /nfs/dbraw/zinc/64/62/42/335646242.db2.gz QUHBFCDXHSODTK-NEPJUHHUSA-N 2 2 298.387 -1.451 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000578994963 335697331 /nfs/dbraw/zinc/69/73/31/335697331.db2.gz GEAJOIXOOWYSJL-GFCCVEGCSA-N 2 2 297.403 -1.748 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260482 336033932 /nfs/dbraw/zinc/03/39/32/336033932.db2.gz IXBSOKTXSJEUPX-MNOVXSKESA-N 2 2 266.345 -1.147 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260482 336033934 /nfs/dbraw/zinc/03/39/34/336033934.db2.gz IXBSOKTXSJEUPX-MNOVXSKESA-N 2 2 266.345 -1.147 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260488 336034003 /nfs/dbraw/zinc/03/40/03/336034003.db2.gz IXBSOKTXSJEUPX-WDEREUQCSA-N 2 2 266.345 -1.147 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCCC3)CCN2C1=O ZINC000581260488 336034005 /nfs/dbraw/zinc/03/40/05/336034005.db2.gz IXBSOKTXSJEUPX-WDEREUQCSA-N 2 2 266.345 -1.147 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000581300664 336041708 /nfs/dbraw/zinc/04/17/08/336041708.db2.gz HNGJWDVQELIQFZ-LBPRGKRZSA-N 2 2 296.371 -1.602 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000581300663 336041801 /nfs/dbraw/zinc/04/18/01/336041801.db2.gz HNGJWDVQELIQFZ-GFCCVEGCSA-N 2 2 296.371 -1.602 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000581489563 336088608 /nfs/dbraw/zinc/08/86/08/336088608.db2.gz MGCSYFMLKPLGCT-VIFPVBQESA-N 2 2 297.359 -1.582 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000581489563 336088610 /nfs/dbraw/zinc/08/86/10/336088610.db2.gz MGCSYFMLKPLGCT-VIFPVBQESA-N 2 2 297.359 -1.582 20 0 CAADLP Cn1nnnc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581726951 336138331 /nfs/dbraw/zinc/13/83/31/336138331.db2.gz URWDIWTUZHUENP-LLVKDONJSA-N 2 2 293.375 -1.146 20 0 CAADLP Cn1nnnc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581726951 336138333 /nfs/dbraw/zinc/13/83/33/336138333.db2.gz URWDIWTUZHUENP-LLVKDONJSA-N 2 2 293.375 -1.146 20 0 CAADLP [NH3+]CC1(CC(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000581822582 336147033 /nfs/dbraw/zinc/14/70/33/336147033.db2.gz AKWRQYYGVQUKSI-UHFFFAOYSA-N 2 2 298.387 -1.320 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726724 782107039 /nfs/dbraw/zinc/10/70/39/782107039.db2.gz NDQVIQVHTNKZRU-JTQLQIEISA-N 2 2 295.343 -1.355 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726725 782107389 /nfs/dbraw/zinc/10/73/89/782107389.db2.gz NDQVIQVHTNKZRU-SNVBAGLBSA-N 2 2 295.343 -1.355 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCC1 ZINC001153487980 782116290 /nfs/dbraw/zinc/11/62/90/782116290.db2.gz XPAAQSGNCZOCKC-UHFFFAOYSA-N 2 2 265.317 -1.179 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496195 782116663 /nfs/dbraw/zinc/11/66/63/782116663.db2.gz VQOYGDSZUHNOOA-SECBINFHSA-N 2 2 253.306 -1.277 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496196 782116825 /nfs/dbraw/zinc/11/68/25/782116825.db2.gz VQOYGDSZUHNOOA-VIFPVBQESA-N 2 2 253.306 -1.277 20 0 CAADLP [NH3+]CC(F)(F)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923633968 782122802 /nfs/dbraw/zinc/12/28/02/782122802.db2.gz LTPRPWHZBAHXOK-UHFFFAOYSA-N 2 2 258.294 -1.680 20 0 CAADLP CC(C)(CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040805212 519260350 /nfs/dbraw/zinc/26/03/50/519260350.db2.gz AQDDWTNOCUEFLA-WDEREUQCSA-N 2 2 271.361 -1.064 20 0 CAADLP CCNS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000819044115 582177054 /nfs/dbraw/zinc/17/70/54/582177054.db2.gz ZWDMBAIWFZOEMW-LLVKDONJSA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000819044115 582177055 /nfs/dbraw/zinc/17/70/55/582177055.db2.gz ZWDMBAIWFZOEMW-LLVKDONJSA-N 2 2 279.406 -1.030 20 0 CAADLP [NH3+]C[C@H](O)CCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000717937496 782156617 /nfs/dbraw/zinc/15/66/17/782156617.db2.gz JVODBNQPNCITHC-GFCCVEGCSA-N 2 2 269.349 -1.138 20 0 CAADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358153424 533760058 /nfs/dbraw/zinc/76/00/58/533760058.db2.gz ITKYSAWSFHEAAD-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COC1C[NH2+]C1 ZINC000431024102 533836565 /nfs/dbraw/zinc/83/65/65/533836565.db2.gz UPIIGTSNZCXEKQ-NSHDSACASA-N 2 2 270.377 -1.273 20 0 CAADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)N1CC[NH+](C)CC1 ZINC000431007735 533897968 /nfs/dbraw/zinc/89/79/68/533897968.db2.gz WHEQGWJGWPWYQG-LBPRGKRZSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000431002990 534014558 /nfs/dbraw/zinc/01/45/58/534014558.db2.gz FCGIFHYEJGIAAO-STQMWFEESA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000431002990 534014562 /nfs/dbraw/zinc/01/45/62/534014562.db2.gz FCGIFHYEJGIAAO-STQMWFEESA-N 2 2 284.404 -1.026 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000420373875 534022825 /nfs/dbraw/zinc/02/28/25/534022825.db2.gz GZYNQJBVEJVNCR-MNOVXSKESA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000420373875 534022833 /nfs/dbraw/zinc/02/28/33/534022833.db2.gz GZYNQJBVEJVNCR-MNOVXSKESA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000420373874 534026244 /nfs/dbraw/zinc/02/62/44/534026244.db2.gz GZYNQJBVEJVNCR-GHMZBOCLSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000420373874 534026251 /nfs/dbraw/zinc/02/62/51/534026251.db2.gz GZYNQJBVEJVNCR-GHMZBOCLSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)COC1C[NH2+]C1 ZINC000431024100 534059471 /nfs/dbraw/zinc/05/94/71/534059471.db2.gz UPIIGTSNZCXEKQ-LLVKDONJSA-N 2 2 270.377 -1.273 20 0 CAADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000333694578 534109046 /nfs/dbraw/zinc/10/90/46/534109046.db2.gz QDBNMFAMYMAIPW-BREBYQMCSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH2+]CC1=O ZINC000430677255 534271884 /nfs/dbraw/zinc/27/18/84/534271884.db2.gz FZDBNMWUQJOPPS-JTQLQIEISA-N 2 2 265.317 -1.180 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H](C)[NH2+]1 ZINC000423671683 534286519 /nfs/dbraw/zinc/28/65/19/534286519.db2.gz CMHFXMUSWGPZCA-GHMZBOCLSA-N 2 2 268.361 -1.031 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000432518425 534390944 /nfs/dbraw/zinc/39/09/44/534390944.db2.gz JWEQMGPSEHGTCE-XQHKEYJVSA-N 2 2 283.372 -1.112 20 0 CAADLP CC(C)(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040805216 519261141 /nfs/dbraw/zinc/26/11/41/519261141.db2.gz AQDDWTNOCUEFLA-GHMZBOCLSA-N 2 2 271.361 -1.064 20 0 CAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000354696674 534426861 /nfs/dbraw/zinc/42/68/61/534426861.db2.gz SIINLGIMWJAGQO-GFCCVEGCSA-N 2 2 298.387 -1.307 20 0 CAADLP CCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031322 519874358 /nfs/dbraw/zinc/87/43/58/519874358.db2.gz VUUMLLIYUCQIDP-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031322 519874359 /nfs/dbraw/zinc/87/43/59/519874359.db2.gz VUUMLLIYUCQIDP-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000431039047 534539261 /nfs/dbraw/zinc/53/92/61/534539261.db2.gz GMDVZVSYBBORRP-JTQLQIEISA-N 2 2 266.345 -1.229 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000431039047 534539267 /nfs/dbraw/zinc/53/92/67/534539267.db2.gz GMDVZVSYBBORRP-JTQLQIEISA-N 2 2 266.345 -1.229 20 0 CAADLP O=C(CNC(=O)[C@@H]1CC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000431063134 534576935 /nfs/dbraw/zinc/57/69/35/534576935.db2.gz XXKIPJARUJTNHL-LLVKDONJSA-N 2 2 284.360 -1.840 20 0 CAADLP O=C(CNC(=O)[C@H]1CC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000431063135 534582388 /nfs/dbraw/zinc/58/23/88/534582388.db2.gz XXKIPJARUJTNHL-NSHDSACASA-N 2 2 284.360 -1.840 20 0 CAADLP [NH3+]CCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178804241 534598750 /nfs/dbraw/zinc/59/87/50/534598750.db2.gz OXMDMZKHQYZDJK-GFCCVEGCSA-N 2 2 298.387 -1.225 20 0 CAADLP [NH3+][C@H]1CC[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000431063555 534732333 /nfs/dbraw/zinc/73/23/33/534732333.db2.gz FPQUMMPJXPYGOT-NEPJUHHUSA-N 2 2 298.387 -1.322 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000365093568 523848066 /nfs/dbraw/zinc/84/80/66/523848066.db2.gz TVLCSMQCDKWJIN-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000365093568 523848072 /nfs/dbraw/zinc/84/80/72/523848072.db2.gz TVLCSMQCDKWJIN-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000367987613 523873677 /nfs/dbraw/zinc/87/36/77/523873677.db2.gz GHEHVRMUJQCXLM-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000367987613 523873682 /nfs/dbraw/zinc/87/36/82/523873682.db2.gz GHEHVRMUJQCXLM-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000367987614 523873766 /nfs/dbraw/zinc/87/37/66/523873766.db2.gz GHEHVRMUJQCXLM-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000367987614 523873770 /nfs/dbraw/zinc/87/37/70/523873770.db2.gz GHEHVRMUJQCXLM-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP COCCNC(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000049278021 523892991 /nfs/dbraw/zinc/89/29/91/523892991.db2.gz HTXGKSKQEYOGCV-UHFFFAOYSA-N 2 2 258.366 -1.285 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000263883020 524043810 /nfs/dbraw/zinc/04/38/10/524043810.db2.gz NORZVHCXULDCAW-UHFFFAOYSA-N 2 2 266.349 -1.016 20 0 CAADLP Cc1[nH+]ccn1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000431042468 534772765 /nfs/dbraw/zinc/77/27/65/534772765.db2.gz HWAGOJJFZXZXTK-UHFFFAOYSA-N 2 2 265.317 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000188071243 524708467 /nfs/dbraw/zinc/70/84/67/524708467.db2.gz KKYATTWWBWSNBG-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000128845096 527178288 /nfs/dbraw/zinc/17/82/88/527178288.db2.gz OMZVZDWHMGITGU-NSHDSACASA-N 2 2 257.334 -1.187 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262398250 527542910 /nfs/dbraw/zinc/54/29/10/527542910.db2.gz PCWNNZCKPXEPAI-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424147777 527543701 /nfs/dbraw/zinc/54/37/01/527543701.db2.gz SEXAHTOWONIQME-BDAKNGLRSA-N 2 2 254.334 -1.258 20 0 CAADLP CC[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165245346 527740434 /nfs/dbraw/zinc/74/04/34/527740434.db2.gz XIVHOXJYJKXKDB-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP CC[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165245346 527740438 /nfs/dbraw/zinc/74/04/38/527740438.db2.gz XIVHOXJYJKXKDB-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP CC[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165245238 527811690 /nfs/dbraw/zinc/81/16/90/527811690.db2.gz XIVHOXJYJKXKDB-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP CC[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165245238 527811695 /nfs/dbraw/zinc/81/16/95/527811695.db2.gz XIVHOXJYJKXKDB-LLVKDONJSA-N 2 2 268.361 -1.124 20 0 CAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353083043 528017809 /nfs/dbraw/zinc/01/78/09/528017809.db2.gz CYYCIEXIHMCUSV-MNOVXSKESA-N 2 2 286.376 -1.338 20 0 CAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353083043 528017814 /nfs/dbraw/zinc/01/78/14/528017814.db2.gz CYYCIEXIHMCUSV-MNOVXSKESA-N 2 2 286.376 -1.338 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424170411 528086078 /nfs/dbraw/zinc/08/60/78/528086078.db2.gz AUZAAZPINJFVTO-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424170411 528086086 /nfs/dbraw/zinc/08/60/86/528086086.db2.gz AUZAAZPINJFVTO-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431065285 528497005 /nfs/dbraw/zinc/49/70/05/528497005.db2.gz NAVBNXYXRYNWDB-GFCCVEGCSA-N 2 2 286.376 -1.466 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423059455 528732846 /nfs/dbraw/zinc/73/28/46/528732846.db2.gz LSRDQOGSYOCTEF-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419882775 528733478 /nfs/dbraw/zinc/73/34/78/528733478.db2.gz MLTRQYYTFKFHKH-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(C)Nc1nc(NCCO)[nH+]c(NCCCC[NH3+])n1 ZINC000420230246 529112003 /nfs/dbraw/zinc/11/20/03/529112003.db2.gz IKFHQEZFWNTVPJ-UHFFFAOYSA-N 2 2 283.380 -1.487 20 0 CAADLP CC(C)Nc1nc(NCCO)nc(NCCCC[NH3+])[nH+]1 ZINC000420230246 529112011 /nfs/dbraw/zinc/11/20/11/529112011.db2.gz IKFHQEZFWNTVPJ-UHFFFAOYSA-N 2 2 283.380 -1.487 20 0 CAADLP CC(C)Nc1nc(NCCCC[NH3+])nc(NCCO)[nH+]1 ZINC000420230246 529112015 /nfs/dbraw/zinc/11/20/15/529112015.db2.gz IKFHQEZFWNTVPJ-UHFFFAOYSA-N 2 2 283.380 -1.487 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423729969 529112763 /nfs/dbraw/zinc/11/27/63/529112763.db2.gz XRXVICRUVODGQW-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000422982089 529117505 /nfs/dbraw/zinc/11/75/05/529117505.db2.gz VMQOJIAVQOFMJD-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000422974321 529118008 /nfs/dbraw/zinc/11/80/08/529118008.db2.gz DOKMABLMCFFLGH-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000170368646 529120736 /nfs/dbraw/zinc/12/07/36/529120736.db2.gz XNRQBQVADKMHQU-UHFFFAOYSA-N 2 2 297.403 -1.828 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000420191120 529120878 /nfs/dbraw/zinc/12/08/78/529120878.db2.gz WVGBYGNINJPHHG-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262467405 529131874 /nfs/dbraw/zinc/13/18/74/529131874.db2.gz WOKZOORPUIKLLZ-WDEREUQCSA-N 2 2 271.361 -1.064 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262467405 529131877 /nfs/dbraw/zinc/13/18/77/529131877.db2.gz WOKZOORPUIKLLZ-WDEREUQCSA-N 2 2 271.361 -1.064 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000249276469 529132349 /nfs/dbraw/zinc/13/23/49/529132349.db2.gz DFYMYVXXNCXMJT-RWMBFGLXSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000249276469 529132350 /nfs/dbraw/zinc/13/23/50/529132350.db2.gz DFYMYVXXNCXMJT-RWMBFGLXSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186492360 529132461 /nfs/dbraw/zinc/13/24/61/529132461.db2.gz DFYMYVXXNCXMJT-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000186492360 529132463 /nfs/dbraw/zinc/13/24/63/529132463.db2.gz DFYMYVXXNCXMJT-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394371998 545497998 /nfs/dbraw/zinc/49/79/98/545497998.db2.gz GPZSQDJORNWALF-VXGBXAGGSA-N 2 2 270.377 -1.144 20 0 CAADLP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394371998 545498000 /nfs/dbraw/zinc/49/80/00/545498000.db2.gz GPZSQDJORNWALF-VXGBXAGGSA-N 2 2 270.377 -1.144 20 0 CAADLP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394384409 545498558 /nfs/dbraw/zinc/49/85/58/545498558.db2.gz JFEZCQBGOIUGMG-OLZOCXBDSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394384409 545498559 /nfs/dbraw/zinc/49/85/59/545498559.db2.gz JFEZCQBGOIUGMG-OLZOCXBDSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394384408 545498572 /nfs/dbraw/zinc/49/85/72/545498572.db2.gz JFEZCQBGOIUGMG-CHWSQXEVSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394384408 545498575 /nfs/dbraw/zinc/49/85/75/545498575.db2.gz JFEZCQBGOIUGMG-CHWSQXEVSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394391812 545498668 /nfs/dbraw/zinc/49/86/68/545498668.db2.gz MBUNFQDMCVQUFD-OLZOCXBDSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394391812 545498670 /nfs/dbraw/zinc/49/86/70/545498670.db2.gz MBUNFQDMCVQUFD-OLZOCXBDSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394391811 545498736 /nfs/dbraw/zinc/49/87/36/545498736.db2.gz MBUNFQDMCVQUFD-CHWSQXEVSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394391811 545498741 /nfs/dbraw/zinc/49/87/41/545498741.db2.gz MBUNFQDMCVQUFD-CHWSQXEVSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990848 545533611 /nfs/dbraw/zinc/53/36/11/545533611.db2.gz MRRBXPGYFDEZPN-ZJUUUORDSA-N 2 2 252.318 -1.762 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990848 545533616 /nfs/dbraw/zinc/53/36/16/545533616.db2.gz MRRBXPGYFDEZPN-ZJUUUORDSA-N 2 2 252.318 -1.762 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889741 545539914 /nfs/dbraw/zinc/53/99/14/545539914.db2.gz BNMVNSSQBBOOBK-CHWSQXEVSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889741 545539915 /nfs/dbraw/zinc/53/99/15/545539915.db2.gz BNMVNSSQBBOOBK-CHWSQXEVSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889741 545539918 /nfs/dbraw/zinc/53/99/18/545539918.db2.gz BNMVNSSQBBOOBK-CHWSQXEVSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889741 545539920 /nfs/dbraw/zinc/53/99/20/545539920.db2.gz BNMVNSSQBBOOBK-CHWSQXEVSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792189 545538129 /nfs/dbraw/zinc/53/81/29/545538129.db2.gz LFDXMQCTWJRKMZ-RNJOBUHISA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792189 545538134 /nfs/dbraw/zinc/53/81/34/545538134.db2.gz LFDXMQCTWJRKMZ-RNJOBUHISA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000352792189 545538139 /nfs/dbraw/zinc/53/81/39/545538139.db2.gz LFDXMQCTWJRKMZ-RNJOBUHISA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@@H]1O ZINC000352792189 545538142 /nfs/dbraw/zinc/53/81/42/545538142.db2.gz LFDXMQCTWJRKMZ-RNJOBUHISA-N 2 2 274.361 -1.241 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889742 545538833 /nfs/dbraw/zinc/53/88/33/545538833.db2.gz BNMVNSSQBBOOBK-OLZOCXBDSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889742 545538836 /nfs/dbraw/zinc/53/88/36/545538836.db2.gz BNMVNSSQBBOOBK-OLZOCXBDSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889742 545538839 /nfs/dbraw/zinc/53/88/39/545538839.db2.gz BNMVNSSQBBOOBK-OLZOCXBDSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889742 545538842 /nfs/dbraw/zinc/53/88/42/545538842.db2.gz BNMVNSSQBBOOBK-OLZOCXBDSA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313355140 545544164 /nfs/dbraw/zinc/54/41/64/545544164.db2.gz QQOXJZUMRYRFQK-JTQLQIEISA-N 2 2 265.379 -1.073 20 0 CAADLP CN(C)S(=O)(=O)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313355140 545544171 /nfs/dbraw/zinc/54/41/71/545544171.db2.gz QQOXJZUMRYRFQK-JTQLQIEISA-N 2 2 265.379 -1.073 20 0 CAADLP CC1(OCC(=O)NCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000098061529 545550715 /nfs/dbraw/zinc/55/07/15/545550715.db2.gz HIFCBODSWAULAJ-UHFFFAOYSA-N 2 2 257.334 -1.187 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CCCS(N)(=O)=O)CC1=O ZINC000649687091 545564534 /nfs/dbraw/zinc/56/45/34/545564534.db2.gz IOQWJPBGYWCUOP-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CCCS(N)(=O)=O)CC1=O ZINC000649687091 545564540 /nfs/dbraw/zinc/56/45/40/545564540.db2.gz IOQWJPBGYWCUOP-UHFFFAOYSA-N 2 2 292.405 -1.629 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CCOCCO)CC1=O ZINC000649685966 545564569 /nfs/dbraw/zinc/56/45/69/545564569.db2.gz TWXXMHZKZQPSTR-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CCOCCO)CC1=O ZINC000649685966 545564573 /nfs/dbraw/zinc/56/45/73/545564573.db2.gz TWXXMHZKZQPSTR-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP COC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684804 545564740 /nfs/dbraw/zinc/56/47/40/545564740.db2.gz CNRBUQZPABTWSL-LLVKDONJSA-N 2 2 259.350 -1.301 20 0 CAADLP COC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684804 545564743 /nfs/dbraw/zinc/56/47/43/545564743.db2.gz CNRBUQZPABTWSL-LLVKDONJSA-N 2 2 259.350 -1.301 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)Cn2cccn2)CC1=O ZINC000649688091 545564941 /nfs/dbraw/zinc/56/49/41/545564941.db2.gz QTNZQRGZTWSWMG-ZDUSSCGKSA-N 2 2 295.387 -1.050 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)Cn2cccn2)CC1=O ZINC000649688091 545564949 /nfs/dbraw/zinc/56/49/49/545564949.db2.gz QTNZQRGZTWSWMG-ZDUSSCGKSA-N 2 2 295.387 -1.050 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)Cn2cccn2)CC1=O ZINC000649688090 545566152 /nfs/dbraw/zinc/56/61/52/545566152.db2.gz QTNZQRGZTWSWMG-CYBMUJFWSA-N 2 2 295.387 -1.050 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)Cn2cccn2)CC1=O ZINC000649688090 545566156 /nfs/dbraw/zinc/56/61/56/545566156.db2.gz QTNZQRGZTWSWMG-CYBMUJFWSA-N 2 2 295.387 -1.050 20 0 CAADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474013 545567180 /nfs/dbraw/zinc/56/71/80/545567180.db2.gz VCMOMMUTOYWXLH-PWSUYJOCSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474013 545567186 /nfs/dbraw/zinc/56/71/86/545567186.db2.gz VCMOMMUTOYWXLH-PWSUYJOCSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474013 545567191 /nfs/dbraw/zinc/56/71/91/545567191.db2.gz VCMOMMUTOYWXLH-PWSUYJOCSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474013 545567194 /nfs/dbraw/zinc/56/71/94/545567194.db2.gz VCMOMMUTOYWXLH-PWSUYJOCSA-N 2 2 259.350 -1.390 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408679 545570835 /nfs/dbraw/zinc/57/08/35/545570835.db2.gz UOBFDTFXIJBKHA-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408679 545570842 /nfs/dbraw/zinc/57/08/42/545570842.db2.gz UOBFDTFXIJBKHA-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000670408679 545570845 /nfs/dbraw/zinc/57/08/45/545570845.db2.gz UOBFDTFXIJBKHA-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670408679 545570848 /nfs/dbraw/zinc/57/08/48/545570848.db2.gz UOBFDTFXIJBKHA-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408681 545571237 /nfs/dbraw/zinc/57/12/37/545571237.db2.gz UOBFDTFXIJBKHA-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408681 545571241 /nfs/dbraw/zinc/57/12/41/545571241.db2.gz UOBFDTFXIJBKHA-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000670408681 545571242 /nfs/dbraw/zinc/57/12/42/545571242.db2.gz UOBFDTFXIJBKHA-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670408681 545571246 /nfs/dbraw/zinc/57/12/46/545571246.db2.gz UOBFDTFXIJBKHA-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408680 545571359 /nfs/dbraw/zinc/57/13/59/545571359.db2.gz UOBFDTFXIJBKHA-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000670408680 545571362 /nfs/dbraw/zinc/57/13/62/545571362.db2.gz UOBFDTFXIJBKHA-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000670408680 545571365 /nfs/dbraw/zinc/57/13/65/545571365.db2.gz UOBFDTFXIJBKHA-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000670408680 545571368 /nfs/dbraw/zinc/57/13/68/545571368.db2.gz UOBFDTFXIJBKHA-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2CO)CC1 ZINC000669935065 545556468 /nfs/dbraw/zinc/55/64/68/545556468.db2.gz SBVYHBBWNGLTMP-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2CO)CC1 ZINC000669935065 545556470 /nfs/dbraw/zinc/55/64/70/545556470.db2.gz SBVYHBBWNGLTMP-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP CC1(OCC(=O)N2CC[NH+](CCO)CC2)C[NH2+]C1 ZINC000161098668 545559557 /nfs/dbraw/zinc/55/95/57/545559557.db2.gz NFYBHBTYJPTPSF-UHFFFAOYSA-N 2 2 257.334 -1.499 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000162652225 545559942 /nfs/dbraw/zinc/55/99/42/545559942.db2.gz CUEGGUVAZKVDPY-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@H+]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000162652225 545559946 /nfs/dbraw/zinc/55/99/46/545559946.db2.gz CUEGGUVAZKVDPY-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000681762946 545575771 /nfs/dbraw/zinc/57/57/71/545575771.db2.gz UOUYWNAYXCCDIG-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000681762946 545575773 /nfs/dbraw/zinc/57/57/73/545575773.db2.gz UOUYWNAYXCCDIG-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000662721374 545577435 /nfs/dbraw/zinc/57/74/35/545577435.db2.gz VLMBPPWTXBFMEA-UWVGGRQHSA-N 2 2 257.334 -1.454 20 0 CAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1(O)C[NH2+]C1 ZINC000662717851 545578426 /nfs/dbraw/zinc/57/84/26/545578426.db2.gz SBIPKYHHGRPPLF-UHFFFAOYSA-N 2 2 295.343 -1.512 20 0 CAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662747064 545580328 /nfs/dbraw/zinc/58/03/28/545580328.db2.gz QYPVOYRRKXKTOZ-UHFFFAOYSA-N 2 2 284.360 -2.057 20 0 CAADLP O=C(CCOC1C[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000662907879 545581250 /nfs/dbraw/zinc/58/12/50/545581250.db2.gz YDGRKFGINFMROW-LBPRGKRZSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(CCOC1C[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000662907879 545581255 /nfs/dbraw/zinc/58/12/55/545581255.db2.gz YDGRKFGINFMROW-LBPRGKRZSA-N 2 2 282.388 -1.129 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(O)(CO)CC2)CC1 ZINC000313676457 545583327 /nfs/dbraw/zinc/58/33/27/545583327.db2.gz SXELUFWKGFPTMC-UHFFFAOYSA-N 2 2 271.361 -1.420 20 0 CAADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383636 782170985 /nfs/dbraw/zinc/17/09/85/782170985.db2.gz ZFFZPBWIEJRJSW-IUCAKERBSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383635 782171261 /nfs/dbraw/zinc/17/12/61/782171261.db2.gz ZFFZPBWIEJRJSW-DTWKUNHWSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@H]1[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000719445224 782180324 /nfs/dbraw/zinc/18/03/24/782180324.db2.gz VVBBXNAUMWYDBU-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H]1[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000719445224 782180330 /nfs/dbraw/zinc/18/03/30/782180330.db2.gz VVBBXNAUMWYDBU-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCOCC2)CCCO1 ZINC000313340616 582109896 /nfs/dbraw/zinc/10/98/96/582109896.db2.gz DSJKUNCOQKNNLN-NSHDSACASA-N 2 2 257.334 -1.105 20 0 CAADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CCCO1 ZINC000313340616 582109898 /nfs/dbraw/zinc/10/98/98/582109898.db2.gz DSJKUNCOQKNNLN-NSHDSACASA-N 2 2 257.334 -1.105 20 0 CAADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000877434037 582113231 /nfs/dbraw/zinc/11/32/31/582113231.db2.gz MGXPNCOZXBFILV-SNVBAGLBSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000877434037 582113232 /nfs/dbraw/zinc/11/32/32/582113232.db2.gz MGXPNCOZXBFILV-SNVBAGLBSA-N 2 2 257.334 -1.452 20 0 CAADLP C[NH+](C)CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000519541452 582114046 /nfs/dbraw/zinc/11/40/46/582114046.db2.gz VMVKELMSOXILNS-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897145742 582116585 /nfs/dbraw/zinc/11/65/85/582116585.db2.gz JXPNTLNIUXAGHV-UONOGXRCSA-N 2 2 294.399 -1.177 20 0 CAADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000898084778 582119196 /nfs/dbraw/zinc/11/91/96/582119196.db2.gz NKYDCCWTSSMDGU-GXTWGEPZSA-N 2 2 295.383 -1.016 20 0 CAADLP COC[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000899248441 582120687 /nfs/dbraw/zinc/12/06/87/582120687.db2.gz QHLFZLOWPYXASP-GFCCVEGCSA-N 2 2 286.376 -1.052 20 0 CAADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000899736608 582122282 /nfs/dbraw/zinc/12/22/82/582122282.db2.gz MQSGLQOQJFNCQU-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CCO ZINC000899736608 582122283 /nfs/dbraw/zinc/12/22/83/582122283.db2.gz MQSGLQOQJFNCQU-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)CCO ZINC000899736608 582122284 /nfs/dbraw/zinc/12/22/84/582122284.db2.gz MQSGLQOQJFNCQU-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899736608 582122286 /nfs/dbraw/zinc/12/22/86/582122286.db2.gz MQSGLQOQJFNCQU-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP CC1(C)[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[C@@H]1[NH3+] ZINC000884348416 582126589 /nfs/dbraw/zinc/12/65/89/582126589.db2.gz YPZJXCGPCIHDJZ-DTWKUNHWSA-N 2 2 254.334 -1.340 20 0 CAADLP NS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741809016 582140582 /nfs/dbraw/zinc/14/05/82/582140582.db2.gz NWBDKXNZNPUWCQ-NSHDSACASA-N 2 2 277.390 -1.071 20 0 CAADLP NS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741809016 582140583 /nfs/dbraw/zinc/14/05/83/582140583.db2.gz NWBDKXNZNPUWCQ-NSHDSACASA-N 2 2 277.390 -1.071 20 0 CAADLP C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC000750612896 582143000 /nfs/dbraw/zinc/14/30/00/582143000.db2.gz ZMUYZBRUBITUOC-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC000750612896 582143002 /nfs/dbraw/zinc/14/30/02/582143002.db2.gz ZMUYZBRUBITUOC-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000779567069 582157423 /nfs/dbraw/zinc/15/74/23/582157423.db2.gz UJNQSOBFYRPHAK-GHMZBOCLSA-N 2 2 296.327 -1.129 20 0 CAADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000779567069 582157424 /nfs/dbraw/zinc/15/74/24/582157424.db2.gz UJNQSOBFYRPHAK-GHMZBOCLSA-N 2 2 296.327 -1.129 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799111308 582167203 /nfs/dbraw/zinc/16/72/03/582167203.db2.gz GPPAXGHTMQBCTL-JTQLQIEISA-N 2 2 282.344 -1.503 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252784 582177405 /nfs/dbraw/zinc/17/74/05/582177405.db2.gz KRNPPPQQBJGNRH-UWVGGRQHSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252784 582177407 /nfs/dbraw/zinc/17/74/07/582177407.db2.gz KRNPPPQQBJGNRH-UWVGGRQHSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010176 582178718 /nfs/dbraw/zinc/17/87/18/582178718.db2.gz DXRDTXMAARGBCH-NWDGAFQWSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010176 582178720 /nfs/dbraw/zinc/17/87/20/582178720.db2.gz DXRDTXMAARGBCH-NWDGAFQWSA-N 2 2 271.361 -1.253 20 0 CAADLP Cn1c[nH+]c(/C=C/C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC000827578176 582193117 /nfs/dbraw/zinc/19/31/17/582193117.db2.gz SQRLWPGKHDSVOX-YWVDXFKGSA-N 2 2 280.328 -1.100 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827935839 582193631 /nfs/dbraw/zinc/19/36/31/582193631.db2.gz BHGDHCKHTYBBQH-VXGBXAGGSA-N 2 2 296.371 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827935839 582193632 /nfs/dbraw/zinc/19/36/32/582193632.db2.gz BHGDHCKHTYBBQH-VXGBXAGGSA-N 2 2 296.371 -1.602 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000831822436 582203468 /nfs/dbraw/zinc/20/34/68/582203468.db2.gz HOJSQZRAFXQOET-CYBMUJFWSA-N 2 2 286.351 -1.032 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000831822441 582203553 /nfs/dbraw/zinc/20/35/53/582203553.db2.gz HOJSQZRAFXQOET-ZDUSSCGKSA-N 2 2 286.351 -1.032 20 0 CAADLP Cn1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000834299286 582210222 /nfs/dbraw/zinc/21/02/22/582210222.db2.gz NKXLBUKPCYVAGK-SECBINFHSA-N 2 2 295.343 -2.201 20 0 CAADLP Cn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000834299286 582210223 /nfs/dbraw/zinc/21/02/23/582210223.db2.gz NKXLBUKPCYVAGK-SECBINFHSA-N 2 2 295.343 -2.201 20 0 CAADLP Cn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000834299287 582210244 /nfs/dbraw/zinc/21/02/44/582210244.db2.gz NKXLBUKPCYVAGK-VIFPVBQESA-N 2 2 295.343 -2.201 20 0 CAADLP Cn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000834299287 582210246 /nfs/dbraw/zinc/21/02/46/582210246.db2.gz NKXLBUKPCYVAGK-VIFPVBQESA-N 2 2 295.343 -2.201 20 0 CAADLP Cn1c[nH+]cc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843055104 582213428 /nfs/dbraw/zinc/21/34/28/582213428.db2.gz RCSQDPJQFWOMFC-UHFFFAOYSA-N 2 2 299.400 -1.161 20 0 CAADLP C[N@@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000843356717 582213939 /nfs/dbraw/zinc/21/39/39/582213939.db2.gz WTPAAPKKYIFGOT-RYUDHWBXSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000843356717 582213940 /nfs/dbraw/zinc/21/39/40/582213940.db2.gz WTPAAPKKYIFGOT-RYUDHWBXSA-N 3 2 270.377 -1.144 20 0 CAADLP CC[NH2+]CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000844176670 582216297 /nfs/dbraw/zinc/21/62/97/582216297.db2.gz YUWPOZDCTJMDQW-UHFFFAOYSA-N 2 2 272.349 -1.840 20 0 CAADLP COC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846678358 582223007 /nfs/dbraw/zinc/22/30/07/582223007.db2.gz ZWKCALBLOAWMNX-UWVGGRQHSA-N 2 2 273.333 -1.334 20 0 CAADLP [NH3+]C[C@@H]1CC(C(=O)NCC[NH+]2CCOCC2)=NO1 ZINC000852855540 582231192 /nfs/dbraw/zinc/23/11/92/582231192.db2.gz FMTWEXNAONXXCC-VIFPVBQESA-N 2 2 256.306 -1.462 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852858509 582231579 /nfs/dbraw/zinc/23/15/79/582231579.db2.gz BOFKGVQAZJZMLO-ZJUUUORDSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865805 582231595 /nfs/dbraw/zinc/23/15/95/582231595.db2.gz POFBKYZYLAMREX-NXEZZACHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865805 582231596 /nfs/dbraw/zinc/23/15/96/582231596.db2.gz POFBKYZYLAMREX-NXEZZACHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852922082 582232635 /nfs/dbraw/zinc/23/26/35/582232635.db2.gz VCMWOGMZLQEUHA-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852922083 582232732 /nfs/dbraw/zinc/23/27/32/582232732.db2.gz VCMWOGMZLQEUHA-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP Nc1nc(N2CC[NH+](CCCCO)CC2)nc(N)[nH+]1 ZINC000858421696 582239978 /nfs/dbraw/zinc/23/99/78/582239978.db2.gz GFBODHYOPUSDFZ-UHFFFAOYSA-N 2 2 267.337 -1.070 20 0 CAADLP CON(C)C(=O)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000861698311 582244487 /nfs/dbraw/zinc/24/44/87/582244487.db2.gz CLGAGHRMPMGVOQ-VHSXEESVSA-N 2 2 287.364 -1.321 20 0 CAADLP CON(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000861698311 582244489 /nfs/dbraw/zinc/24/44/89/582244489.db2.gz CLGAGHRMPMGVOQ-VHSXEESVSA-N 2 2 287.364 -1.321 20 0 CAADLP CON(C)C(=O)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000861698592 582244532 /nfs/dbraw/zinc/24/45/32/582244532.db2.gz CLGAGHRMPMGVOQ-NXEZZACHSA-N 2 2 287.364 -1.321 20 0 CAADLP CON(C)C(=O)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000861698592 582244533 /nfs/dbraw/zinc/24/45/33/582244533.db2.gz CLGAGHRMPMGVOQ-NXEZZACHSA-N 2 2 287.364 -1.321 20 0 CAADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1COCC[NH2+]1 ZINC000863545320 582248978 /nfs/dbraw/zinc/24/89/78/582248978.db2.gz OQAWXQVAJWTQLY-GARJFASQSA-N 2 2 257.334 -1.142 20 0 CAADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1COCC[NH2+]1 ZINC000863545322 582249013 /nfs/dbraw/zinc/24/90/13/582249013.db2.gz OQAWXQVAJWTQLY-HBNTYKKESA-N 2 2 257.334 -1.142 20 0 CAADLP C[C@@H]([NH3+])C[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000863570512 582249192 /nfs/dbraw/zinc/24/91/92/582249192.db2.gz XMLONYCINKCQSR-SECBINFHSA-N 2 2 294.359 -1.287 20 0 CAADLP C[C@@H]([NH3+])C[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000863570512 582249193 /nfs/dbraw/zinc/24/91/93/582249193.db2.gz XMLONYCINKCQSR-SECBINFHSA-N 2 2 294.359 -1.287 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000863583348 582249221 /nfs/dbraw/zinc/24/92/21/582249221.db2.gz UKJDWGRSCHPHEU-AXFHLTTASA-N 2 2 257.334 -1.515 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000863583465 582249352 /nfs/dbraw/zinc/24/93/52/582249352.db2.gz XQEPBIVUSRPIPU-WCQYABFASA-N 2 2 289.351 -1.161 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863749426 582249802 /nfs/dbraw/zinc/24/98/02/582249802.db2.gz QALFMBAFMYRZQM-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863749425 582249816 /nfs/dbraw/zinc/24/98/16/582249816.db2.gz QALFMBAFMYRZQM-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000863769357 582250221 /nfs/dbraw/zinc/25/02/21/582250221.db2.gz FPIWQHQWOGAHRE-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@@H]1CO ZINC000864078705 582251657 /nfs/dbraw/zinc/25/16/57/582251657.db2.gz OXEXVPWCQHKRSF-QWHCGFSZSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@@H]1CO ZINC000864078705 582251658 /nfs/dbraw/zinc/25/16/58/582251658.db2.gz OXEXVPWCQHKRSF-QWHCGFSZSA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864838135 582252593 /nfs/dbraw/zinc/25/25/93/582252593.db2.gz XIVITDLVTJGYTJ-LBPRGKRZSA-N 2 2 295.343 -1.325 20 0 CAADLP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@H]2C1=O ZINC000866701455 582253882 /nfs/dbraw/zinc/25/38/82/582253882.db2.gz JVGIJTCSXMONBS-LPEHRKFASA-N 2 2 253.302 -1.479 20 0 CAADLP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@H]2C1=O ZINC000866701455 582253883 /nfs/dbraw/zinc/25/38/83/582253883.db2.gz JVGIJTCSXMONBS-LPEHRKFASA-N 2 2 253.302 -1.479 20 0 CAADLP CN1C(=O)[C@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@H]2C1=O ZINC000866701454 582253891 /nfs/dbraw/zinc/25/38/91/582253891.db2.gz JVGIJTCSXMONBS-BBBLOLIVSA-N 2 2 253.302 -1.479 20 0 CAADLP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@H]2C1=O ZINC000866701454 582253892 /nfs/dbraw/zinc/25/38/92/582253892.db2.gz JVGIJTCSXMONBS-BBBLOLIVSA-N 2 2 253.302 -1.479 20 0 CAADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000866659058 582253927 /nfs/dbraw/zinc/25/39/27/582253927.db2.gz CELOSEMWDDXGFE-LLVKDONJSA-N 2 2 293.375 -1.351 20 0 CAADLP Cn1nnnc1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000866659058 582253929 /nfs/dbraw/zinc/25/39/29/582253929.db2.gz CELOSEMWDDXGFE-LLVKDONJSA-N 2 2 293.375 -1.351 20 0 CAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000866770457 582254386 /nfs/dbraw/zinc/25/43/86/582254386.db2.gz ZHDWWPXTZNIRGW-BDAKNGLRSA-N 2 2 299.343 -1.109 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000867548116 582254576 /nfs/dbraw/zinc/25/45/76/582254576.db2.gz AGPBOCRMEMEHNY-ONGXEEELSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000867548116 582254577 /nfs/dbraw/zinc/25/45/77/582254577.db2.gz AGPBOCRMEMEHNY-ONGXEEELSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000868013350 582255662 /nfs/dbraw/zinc/25/56/62/582255662.db2.gz UAGMYEKLPFVVJS-JTQLQIEISA-N 2 2 268.361 -1.078 20 0 CAADLP C[NH+](C)C[C@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868345370 582256214 /nfs/dbraw/zinc/25/62/14/582256214.db2.gz HCFRFXGEMOMUAF-AAOUONPWSA-N 2 2 271.361 -1.087 20 0 CAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868809693 582256604 /nfs/dbraw/zinc/25/66/04/582256604.db2.gz LGYBTVYYHADJJK-MWLCHTKSSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868809693 582256605 /nfs/dbraw/zinc/25/66/05/582256605.db2.gz LGYBTVYYHADJJK-MWLCHTKSSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868809692 582256617 /nfs/dbraw/zinc/25/66/17/582256617.db2.gz LGYBTVYYHADJJK-KOLCDFICSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868809692 582256618 /nfs/dbraw/zinc/25/66/18/582256618.db2.gz LGYBTVYYHADJJK-KOLCDFICSA-N 2 2 268.317 -1.032 20 0 CAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869260807 582257075 /nfs/dbraw/zinc/25/70/75/582257075.db2.gz LTQONIIILLNBKJ-GFCCVEGCSA-N 2 2 297.359 -1.079 20 0 CAADLP C[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000870981323 582257787 /nfs/dbraw/zinc/25/77/87/582257787.db2.gz IKBFWXFREGJNMC-NWDGAFQWSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000870981323 582257788 /nfs/dbraw/zinc/25/77/88/582257788.db2.gz IKBFWXFREGJNMC-NWDGAFQWSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000870981324 582257791 /nfs/dbraw/zinc/25/77/91/582257791.db2.gz IKBFWXFREGJNMC-RYUDHWBXSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000870981324 582257792 /nfs/dbraw/zinc/25/77/92/582257792.db2.gz IKBFWXFREGJNMC-RYUDHWBXSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000870981322 582257804 /nfs/dbraw/zinc/25/78/04/582257804.db2.gz IKBFWXFREGJNMC-NEPJUHHUSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000870981322 582257805 /nfs/dbraw/zinc/25/78/05/582257805.db2.gz IKBFWXFREGJNMC-NEPJUHHUSA-N 2 2 280.372 -1.029 20 0 CAADLP C[NH+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000871462414 582258417 /nfs/dbraw/zinc/25/84/17/582258417.db2.gz RMXLICDLPVCJEV-NSHDSACASA-N 2 2 286.376 -1.547 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C[NH3+])C1 ZINC000876541583 582262560 /nfs/dbraw/zinc/26/25/60/582262560.db2.gz ATFFKUFPDULYHF-VGMNWLOBSA-N 3 2 262.304 -1.072 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C[NH3+])C1 ZINC000876541583 582262562 /nfs/dbraw/zinc/26/25/62/582262562.db2.gz ATFFKUFPDULYHF-VGMNWLOBSA-N 3 2 262.304 -1.072 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)NCC(=O)N1CC[NH2+]CC1 ZINC000876511635 582262579 /nfs/dbraw/zinc/26/25/79/582262579.db2.gz QAUZYWOWQCJHKN-UPHRSURJSA-N 2 2 296.371 -1.577 20 0 CAADLP CN1CCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000876542024 582262650 /nfs/dbraw/zinc/26/26/50/582262650.db2.gz JOHBSTLUSCEUBA-YWVDXFKGSA-N 2 2 282.388 -1.024 20 0 CAADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H](N)C[NH+](C)C)n1C ZINC000876764258 582263060 /nfs/dbraw/zinc/26/30/60/582263060.db2.gz SJTVZJQYCNILRM-JTQLQIEISA-N 2 2 268.365 -1.009 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876746095 582263121 /nfs/dbraw/zinc/26/31/21/582263121.db2.gz IYTLLLWZFFPEAG-MNOVXSKESA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876746095 582263122 /nfs/dbraw/zinc/26/31/22/582263122.db2.gz IYTLLLWZFFPEAG-MNOVXSKESA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876746096 582263166 /nfs/dbraw/zinc/26/31/66/582263166.db2.gz IYTLLLWZFFPEAG-QWRGUYRKSA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)CCO1 ZINC000876746096 582263168 /nfs/dbraw/zinc/26/31/68/582263168.db2.gz IYTLLLWZFFPEAG-QWRGUYRKSA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)N1CC[NH2+]CC1=O ZINC000876851065 582263459 /nfs/dbraw/zinc/26/34/59/582263459.db2.gz CDARMWUDUZUDPA-IUCAKERBSA-N 2 2 290.314 -1.128 20 0 CAADLP C[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1=O ZINC000876865267 582263479 /nfs/dbraw/zinc/26/34/79/582263479.db2.gz WUDJSWRNRVLOHQ-BDAKNGLRSA-N 2 2 290.314 -1.080 20 0 CAADLP C[C@@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1=O ZINC000876872097 582263562 /nfs/dbraw/zinc/26/35/62/582263562.db2.gz QOOQMDDENYTKBB-AXFHLTTASA-N 2 2 266.345 -1.373 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876875454 582263610 /nfs/dbraw/zinc/26/36/10/582263610.db2.gz VUBVKPCGDZGPOJ-LBPRGKRZSA-N 2 2 299.419 -1.454 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876875454 582263611 /nfs/dbraw/zinc/26/36/11/582263611.db2.gz VUBVKPCGDZGPOJ-LBPRGKRZSA-N 2 2 299.419 -1.454 20 0 CAADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876878739 582263626 /nfs/dbraw/zinc/26/36/26/582263626.db2.gz JVBOQSLXXCYHLH-LBPRGKRZSA-N 2 2 294.403 -1.047 20 0 CAADLP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1=O ZINC000876872098 582263632 /nfs/dbraw/zinc/26/36/32/582263632.db2.gz QOOQMDDENYTKBB-MXWKQRLJSA-N 2 2 266.345 -1.373 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877035207 582264105 /nfs/dbraw/zinc/26/41/05/582264105.db2.gz VJKVNXVWBJPRJH-DTWKUNHWSA-N 2 2 256.306 -1.463 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877035207 582264107 /nfs/dbraw/zinc/26/41/07/582264107.db2.gz VJKVNXVWBJPRJH-DTWKUNHWSA-N 2 2 256.306 -1.463 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000877243822 582264683 /nfs/dbraw/zinc/26/46/83/582264683.db2.gz PAVAKFAXFSGNSA-OPRDCNLKSA-N 2 2 254.334 -1.340 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877289086 582264954 /nfs/dbraw/zinc/26/49/54/582264954.db2.gz SJQHTWDBSQFXAO-GHMZBOCLSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877289087 582264995 /nfs/dbraw/zinc/26/49/95/582264995.db2.gz SJQHTWDBSQFXAO-MNOVXSKESA-N 2 2 266.345 -1.229 20 0 CAADLP C[C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CC[NH2+]CC1=O ZINC000877371937 582265075 /nfs/dbraw/zinc/26/50/75/582265075.db2.gz RQPHHPSGWFJOSO-COPLHBTASA-N 2 2 280.372 -1.125 20 0 CAADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000877432763 582265215 /nfs/dbraw/zinc/26/52/15/582265215.db2.gz GNFZXFNJCMCAPE-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000877432763 582265216 /nfs/dbraw/zinc/26/52/16/582265216.db2.gz GNFZXFNJCMCAPE-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000877434082 582265303 /nfs/dbraw/zinc/26/53/03/582265303.db2.gz NCQPSJQXLRTTLE-SNVBAGLBSA-N 2 2 272.349 -1.712 20 0 CAADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000877434082 582265305 /nfs/dbraw/zinc/26/53/05/582265305.db2.gz NCQPSJQXLRTTLE-SNVBAGLBSA-N 2 2 272.349 -1.712 20 0 CAADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878048550 582265532 /nfs/dbraw/zinc/26/55/32/582265532.db2.gz BVROFBXMRQRMAA-UHFFFAOYSA-N 2 2 293.375 -1.087 20 0 CAADLP Cn1nnnc1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877959264 582265579 /nfs/dbraw/zinc/26/55/79/582265579.db2.gz TWMDUDFWLPSSET-UHFFFAOYSA-N 2 2 281.364 -1.542 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878198916 582266018 /nfs/dbraw/zinc/26/60/18/582266018.db2.gz QNIGVLMBTYAYQC-LBPRGKRZSA-N 2 2 293.375 -1.089 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878198916 582266019 /nfs/dbraw/zinc/26/60/19/582266019.db2.gz QNIGVLMBTYAYQC-LBPRGKRZSA-N 2 2 293.375 -1.089 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CCn2cnnn2)CC1=O ZINC000878802712 582266618 /nfs/dbraw/zinc/26/66/18/582266618.db2.gz OBVPFNSRKGGZTO-UHFFFAOYSA-N 2 2 267.337 -1.621 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CCn2cnnn2)CC1=O ZINC000878802712 582266619 /nfs/dbraw/zinc/26/66/19/582266619.db2.gz OBVPFNSRKGGZTO-UHFFFAOYSA-N 2 2 267.337 -1.621 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC(=O)NC1=O ZINC000879355354 582267291 /nfs/dbraw/zinc/26/72/91/582267291.db2.gz COULIGRQOFWTJO-SNVBAGLBSA-N 2 2 282.344 -1.503 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC(=O)NC1=O ZINC000879355354 582267292 /nfs/dbraw/zinc/26/72/92/582267292.db2.gz COULIGRQOFWTJO-SNVBAGLBSA-N 2 2 282.344 -1.503 20 0 CAADLP C[N@H+](CCn1cnnn1)CC(=O)N1CC[NH+](C)CC1 ZINC000879357316 582267314 /nfs/dbraw/zinc/26/73/14/582267314.db2.gz XGEWTCGFKSCUTK-UHFFFAOYSA-N 2 2 267.337 -1.621 20 0 CAADLP C[N@@H+](CCn1cnnn1)CC(=O)N1CC[NH+](C)CC1 ZINC000879357316 582267315 /nfs/dbraw/zinc/26/73/15/582267315.db2.gz XGEWTCGFKSCUTK-UHFFFAOYSA-N 2 2 267.337 -1.621 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612595 582267792 /nfs/dbraw/zinc/26/77/92/582267792.db2.gz GXDVLCZHBJIHLP-UPJWGTAASA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612595 582267793 /nfs/dbraw/zinc/26/77/93/582267793.db2.gz GXDVLCZHBJIHLP-UPJWGTAASA-N 2 2 285.388 -1.034 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535904 582267834 /nfs/dbraw/zinc/26/78/34/582267834.db2.gz VEWBKYGIUIWGKO-UTUOFQBUSA-N 2 2 299.371 -1.528 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535904 582267836 /nfs/dbraw/zinc/26/78/36/582267836.db2.gz VEWBKYGIUIWGKO-UTUOFQBUSA-N 2 2 299.371 -1.528 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535904 582267838 /nfs/dbraw/zinc/26/78/38/582267838.db2.gz VEWBKYGIUIWGKO-UTUOFQBUSA-N 2 2 299.371 -1.528 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535904 582267839 /nfs/dbraw/zinc/26/78/39/582267839.db2.gz VEWBKYGIUIWGKO-UTUOFQBUSA-N 2 2 299.371 -1.528 20 0 CAADLP CN1C(=O)[C@H]2C[N@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@H]2C1=O ZINC000879535692 582267874 /nfs/dbraw/zinc/26/78/74/582267874.db2.gz QTTBKYSSYCFANH-UTUOFQBUSA-N 2 2 281.356 -1.012 20 0 CAADLP CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@H]2C1=O ZINC000879535692 582267876 /nfs/dbraw/zinc/26/78/76/582267876.db2.gz QTTBKYSSYCFANH-UTUOFQBUSA-N 2 2 281.356 -1.012 20 0 CAADLP CN1C(=O)[C@H]2C[NH+](C[C@H](O)C[N@H+](C)C3CC3)C[C@H]2C1=O ZINC000879535692 582267877 /nfs/dbraw/zinc/26/78/77/582267877.db2.gz QTTBKYSSYCFANH-UTUOFQBUSA-N 2 2 281.356 -1.012 20 0 CAADLP CN1C(=O)[C@H]2C[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C[C@H]2C1=O ZINC000879535692 582267878 /nfs/dbraw/zinc/26/78/78/582267878.db2.gz QTTBKYSSYCFANH-UTUOFQBUSA-N 2 2 281.356 -1.012 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970887 582268535 /nfs/dbraw/zinc/26/85/35/582268535.db2.gz GJCMDCWTQAEZNQ-ZDUSSCGKSA-N 2 2 290.404 -1.008 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970887 582268537 /nfs/dbraw/zinc/26/85/37/582268537.db2.gz GJCMDCWTQAEZNQ-ZDUSSCGKSA-N 2 2 290.404 -1.008 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970886 582268546 /nfs/dbraw/zinc/26/85/46/582268546.db2.gz GJCMDCWTQAEZNQ-CYBMUJFWSA-N 2 2 290.404 -1.008 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970886 582268547 /nfs/dbraw/zinc/26/85/47/582268547.db2.gz GJCMDCWTQAEZNQ-CYBMUJFWSA-N 2 2 290.404 -1.008 20 0 CAADLP OC[C@H]1C=CC[NH+]1CC(O)C[N@H+]1CC=C[C@@H]1CO ZINC000880489314 582269470 /nfs/dbraw/zinc/26/94/70/582269470.db2.gz SHQIRXUGBLVOIK-VXGBXAGGSA-N 2 2 254.330 -1.187 20 0 CAADLP OC[C@H]1C=CC[NH+]1CC(O)C[N@@H+]1CC=C[C@@H]1CO ZINC000880489314 582269471 /nfs/dbraw/zinc/26/94/71/582269471.db2.gz SHQIRXUGBLVOIK-VXGBXAGGSA-N 2 2 254.330 -1.187 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566041 582269958 /nfs/dbraw/zinc/26/99/58/582269958.db2.gz SKYBTUAGZYWGNQ-CMPLNLGQSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566041 582269960 /nfs/dbraw/zinc/26/99/60/582269960.db2.gz SKYBTUAGZYWGNQ-CMPLNLGQSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566041 582269961 /nfs/dbraw/zinc/26/99/61/582269961.db2.gz SKYBTUAGZYWGNQ-CMPLNLGQSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566041 582269962 /nfs/dbraw/zinc/26/99/62/582269962.db2.gz SKYBTUAGZYWGNQ-CMPLNLGQSA-N 2 2 260.334 -1.091 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564903 582269974 /nfs/dbraw/zinc/26/99/74/582269974.db2.gz HCXDRLGHSLWWMZ-WCQYABFASA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564903 582269976 /nfs/dbraw/zinc/26/99/76/582269976.db2.gz HCXDRLGHSLWWMZ-WCQYABFASA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564903 582269977 /nfs/dbraw/zinc/26/99/77/582269977.db2.gz HCXDRLGHSLWWMZ-WCQYABFASA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564903 582269978 /nfs/dbraw/zinc/26/99/78/582269978.db2.gz HCXDRLGHSLWWMZ-WCQYABFASA-N 2 2 290.360 -1.465 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](C[NH3+])C1 ZINC000884041766 582272908 /nfs/dbraw/zinc/27/29/08/582272908.db2.gz HLHDEERRHOOXSF-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](C[NH3+])C1 ZINC000884041766 582272910 /nfs/dbraw/zinc/27/29/10/582272910.db2.gz HLHDEERRHOOXSF-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@@H](C[NH3+])C1 ZINC000884041765 582273025 /nfs/dbraw/zinc/27/30/25/582273025.db2.gz HLHDEERRHOOXSF-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@@H](C[NH3+])C1 ZINC000884041765 582273026 /nfs/dbraw/zinc/27/30/26/582273026.db2.gz HLHDEERRHOOXSF-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP [NH3+][C@@H](CC1CC1)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000884200941 582274014 /nfs/dbraw/zinc/27/40/14/582274014.db2.gz NEVLMPZHBBPHKH-LBPRGKRZSA-N 2 2 298.387 -1.322 20 0 CAADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884572524 582275504 /nfs/dbraw/zinc/27/55/04/582275504.db2.gz PWJHCKAKZNYNKQ-DCAQKATOSA-N 2 2 289.339 -1.113 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884638525 582275795 /nfs/dbraw/zinc/27/57/95/582275795.db2.gz AVMLUVLYIRLHKX-VWYCJHECSA-N 2 2 277.328 -1.040 20 0 CAADLP C[N@H+](CCO)CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000885801514 582277675 /nfs/dbraw/zinc/27/76/75/582277675.db2.gz MHJPMULLDOBCFG-LLVKDONJSA-N 2 2 295.405 -1.840 20 0 CAADLP C[N@@H+](CCO)CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000885801514 582277677 /nfs/dbraw/zinc/27/76/77/582277677.db2.gz MHJPMULLDOBCFG-LLVKDONJSA-N 2 2 295.405 -1.840 20 0 CAADLP C[NH+](CCO)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000885801514 582277678 /nfs/dbraw/zinc/27/76/78/582277678.db2.gz MHJPMULLDOBCFG-LLVKDONJSA-N 2 2 295.405 -1.840 20 0 CAADLP C[NH+](CCO)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000885801514 582277680 /nfs/dbraw/zinc/27/76/80/582277680.db2.gz MHJPMULLDOBCFG-LLVKDONJSA-N 2 2 295.405 -1.840 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449478 615170036 /nfs/dbraw/zinc/17/00/36/615170036.db2.gz VLAHVZZPAASIMM-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449478 615170038 /nfs/dbraw/zinc/17/00/38/615170038.db2.gz VLAHVZZPAASIMM-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980449478 615170039 /nfs/dbraw/zinc/17/00/39/615170039.db2.gz VLAHVZZPAASIMM-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980449478 615170040 /nfs/dbraw/zinc/17/00/40/615170040.db2.gz VLAHVZZPAASIMM-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962663616 615172130 /nfs/dbraw/zinc/17/21/30/615172130.db2.gz IGKMRCOKWHWAEC-XZUYRWCXSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962663616 615172131 /nfs/dbraw/zinc/17/21/31/615172131.db2.gz IGKMRCOKWHWAEC-XZUYRWCXSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962663616 615172132 /nfs/dbraw/zinc/17/21/32/615172132.db2.gz IGKMRCOKWHWAEC-XZUYRWCXSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962663616 615172133 /nfs/dbraw/zinc/17/21/33/615172133.db2.gz IGKMRCOKWHWAEC-XZUYRWCXSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449479 615181763 /nfs/dbraw/zinc/18/17/63/615181763.db2.gz VLAHVZZPAASIMM-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449479 615181765 /nfs/dbraw/zinc/18/17/65/615181765.db2.gz VLAHVZZPAASIMM-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980449479 615181767 /nfs/dbraw/zinc/18/17/67/615181767.db2.gz VLAHVZZPAASIMM-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980449479 615181769 /nfs/dbraw/zinc/18/17/69/615181769.db2.gz VLAHVZZPAASIMM-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556817 616055242 /nfs/dbraw/zinc/05/52/42/616055242.db2.gz BOGDHAOTPSKAPG-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556817 616055243 /nfs/dbraw/zinc/05/52/43/616055243.db2.gz BOGDHAOTPSKAPG-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000980892974 616251307 /nfs/dbraw/zinc/25/13/07/616251307.db2.gz CMPHNTIMDIJMJR-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000980892974 616251308 /nfs/dbraw/zinc/25/13/08/616251308.db2.gz CMPHNTIMDIJMJR-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000980892974 616251309 /nfs/dbraw/zinc/25/13/09/616251309.db2.gz CMPHNTIMDIJMJR-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000980892974 616251310 /nfs/dbraw/zinc/25/13/10/616251310.db2.gz CMPHNTIMDIJMJR-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962580857 616643768 /nfs/dbraw/zinc/64/37/68/616643768.db2.gz WBTKLXURQODTNU-YABSGUDNSA-N 2 2 291.355 -1.016 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962580857 616643770 /nfs/dbraw/zinc/64/37/70/616643770.db2.gz WBTKLXURQODTNU-YABSGUDNSA-N 2 2 291.355 -1.016 20 0 CAADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259052 656828510 /nfs/dbraw/zinc/82/85/10/656828510.db2.gz OLWSPUCSQALTPR-QWRGUYRKSA-N 2 2 259.350 -1.566 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020980509 656009568 /nfs/dbraw/zinc/00/95/68/656009568.db2.gz LNKSZXNHWVOIEV-KYZUINATSA-N 2 2 265.317 -1.017 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001021047814 656010405 /nfs/dbraw/zinc/01/04/05/656010405.db2.gz PAPDCJZZBJLGKF-DCAQKATOSA-N 2 2 293.375 -1.101 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001021047814 656010408 /nfs/dbraw/zinc/01/04/08/656010408.db2.gz PAPDCJZZBJLGKF-DCAQKATOSA-N 2 2 293.375 -1.101 20 0 CAADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001021126562 656013528 /nfs/dbraw/zinc/01/35/28/656013528.db2.gz RWFDNFVPCINALS-GUBZILKMSA-N 2 2 265.317 -1.006 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970579239 656016350 /nfs/dbraw/zinc/01/63/50/656016350.db2.gz GKWVQUGMTLDQMP-SECBINFHSA-N 2 2 265.317 -1.064 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970856016 656019174 /nfs/dbraw/zinc/01/91/74/656019174.db2.gz DCDATRKSPNJTHP-GHMZBOCLSA-N 2 2 277.328 -1.038 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)O1 ZINC000971777442 656027645 /nfs/dbraw/zinc/02/76/45/656027645.db2.gz BBTSEUKQYWTHMU-GRYCIOLGSA-N 2 2 298.387 -1.277 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CC(N)=O)C2)O1 ZINC000971777442 656027648 /nfs/dbraw/zinc/02/76/48/656027648.db2.gz BBTSEUKQYWTHMU-GRYCIOLGSA-N 2 2 298.387 -1.277 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)O1 ZINC000971777442 656027649 /nfs/dbraw/zinc/02/76/49/656027649.db2.gz BBTSEUKQYWTHMU-GRYCIOLGSA-N 2 2 298.387 -1.277 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)O1 ZINC000971777442 656027651 /nfs/dbraw/zinc/02/76/51/656027651.db2.gz BBTSEUKQYWTHMU-GRYCIOLGSA-N 2 2 298.387 -1.277 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022978160 656040491 /nfs/dbraw/zinc/04/04/91/656040491.db2.gz SECYXAJYHYMSPZ-DTORHVGOSA-N 2 2 265.317 -1.315 20 0 CAADLP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023158703 656043123 /nfs/dbraw/zinc/04/31/23/656043123.db2.gz DQIMHZHMMAMNQV-AOOOYVTPSA-N 2 2 290.331 -1.156 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023158765 656043442 /nfs/dbraw/zinc/04/34/42/656043442.db2.gz GFGHOQQWUYZXTL-DTORHVGOSA-N 2 2 251.290 -1.395 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291451 656044811 /nfs/dbraw/zinc/04/48/11/656044811.db2.gz HDZVBZOHWVHRQG-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291451 656044814 /nfs/dbraw/zinc/04/48/14/656044814.db2.gz HDZVBZOHWVHRQG-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023291451 656044818 /nfs/dbraw/zinc/04/48/18/656044818.db2.gz HDZVBZOHWVHRQG-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023291451 656044822 /nfs/dbraw/zinc/04/48/22/656044822.db2.gz HDZVBZOHWVHRQG-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291448 656044962 /nfs/dbraw/zinc/04/49/62/656044962.db2.gz HDZVBZOHWVHRQG-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291448 656044966 /nfs/dbraw/zinc/04/49/66/656044966.db2.gz HDZVBZOHWVHRQG-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023291448 656044969 /nfs/dbraw/zinc/04/49/69/656044969.db2.gz HDZVBZOHWVHRQG-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023291448 656044972 /nfs/dbraw/zinc/04/49/72/656044972.db2.gz HDZVBZOHWVHRQG-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291456 656045032 /nfs/dbraw/zinc/04/50/32/656045032.db2.gz HDZVBZOHWVHRQG-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001023291456 656045033 /nfs/dbraw/zinc/04/50/33/656045033.db2.gz HDZVBZOHWVHRQG-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001023291456 656045034 /nfs/dbraw/zinc/04/50/34/656045034.db2.gz HDZVBZOHWVHRQG-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001023291456 656045035 /nfs/dbraw/zinc/04/50/35/656045035.db2.gz HDZVBZOHWVHRQG-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027347573 656082939 /nfs/dbraw/zinc/08/29/39/656082939.db2.gz XGIVWOWHSKNMNL-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027347573 656082942 /nfs/dbraw/zinc/08/29/42/656082942.db2.gz XGIVWOWHSKNMNL-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027347573 656082946 /nfs/dbraw/zinc/08/29/46/656082946.db2.gz XGIVWOWHSKNMNL-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027347573 656082949 /nfs/dbraw/zinc/08/29/49/656082949.db2.gz XGIVWOWHSKNMNL-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327901 656113102 /nfs/dbraw/zinc/11/31/02/656113102.db2.gz FBVKUXHGEZRPPM-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327901 656113103 /nfs/dbraw/zinc/11/31/03/656113103.db2.gz FBVKUXHGEZRPPM-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028327901 656113105 /nfs/dbraw/zinc/11/31/05/656113105.db2.gz FBVKUXHGEZRPPM-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028327901 656113107 /nfs/dbraw/zinc/11/31/07/656113107.db2.gz FBVKUXHGEZRPPM-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461147 656114930 /nfs/dbraw/zinc/11/49/30/656114930.db2.gz KWPYXQHWMVWHBB-RYUDHWBXSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028461147 656114931 /nfs/dbraw/zinc/11/49/31/656114931.db2.gz KWPYXQHWMVWHBB-RYUDHWBXSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028461147 656114933 /nfs/dbraw/zinc/11/49/33/656114933.db2.gz KWPYXQHWMVWHBB-RYUDHWBXSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028461147 656114934 /nfs/dbraw/zinc/11/49/34/656114934.db2.gz KWPYXQHWMVWHBB-RYUDHWBXSA-N 2 2 298.387 -1.499 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996940 656123554 /nfs/dbraw/zinc/12/35/54/656123554.db2.gz MHGKFDLYMSLVNQ-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996940 656123557 /nfs/dbraw/zinc/12/35/57/656123557.db2.gz MHGKFDLYMSLVNQ-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028996940 656123558 /nfs/dbraw/zinc/12/35/58/656123558.db2.gz MHGKFDLYMSLVNQ-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996942 656124116 /nfs/dbraw/zinc/12/41/16/656124116.db2.gz MHGKFDLYMSLVNQ-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028996942 656124117 /nfs/dbraw/zinc/12/41/17/656124117.db2.gz MHGKFDLYMSLVNQ-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028996942 656124118 /nfs/dbraw/zinc/12/41/18/656124118.db2.gz MHGKFDLYMSLVNQ-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029256727 656126015 /nfs/dbraw/zinc/12/60/15/656126015.db2.gz JWWPXTJMFUFRBO-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029256727 656126019 /nfs/dbraw/zinc/12/60/19/656126019.db2.gz JWWPXTJMFUFRBO-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029256727 656126021 /nfs/dbraw/zinc/12/60/21/656126021.db2.gz JWWPXTJMFUFRBO-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029256727 656126023 /nfs/dbraw/zinc/12/60/23/656126023.db2.gz JWWPXTJMFUFRBO-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001007005916 656129926 /nfs/dbraw/zinc/12/99/26/656129926.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCO)C2)C1 ZINC001007005916 656129927 /nfs/dbraw/zinc/12/99/27/656129927.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005916 656129930 /nfs/dbraw/zinc/12/99/30/656129930.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005916 656129932 /nfs/dbraw/zinc/12/99/32/656129932.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987606212 656141222 /nfs/dbraw/zinc/14/12/22/656141222.db2.gz UHSGIRBDXGKDHX-UWVGGRQHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987606213 656141391 /nfs/dbraw/zinc/14/13/91/656141391.db2.gz UHSGIRBDXGKDHX-VHSXEESVSA-N 2 2 265.317 -1.053 20 0 CAADLP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](C)CCO2)C1=O ZINC000925300281 656147639 /nfs/dbraw/zinc/14/76/39/656147639.db2.gz RKSHWLHGBMIFKW-UWVGGRQHSA-N 2 2 270.333 -1.201 20 0 CAADLP C[NH+](C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300281 656147640 /nfs/dbraw/zinc/14/76/40/656147640.db2.gz RKSHWLHGBMIFKW-UWVGGRQHSA-N 2 2 270.333 -1.201 20 0 CAADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000989852614 656152769 /nfs/dbraw/zinc/15/27/69/656152769.db2.gz BLJYQIZMUDYSQW-NXEZZACHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000902932151 656184191 /nfs/dbraw/zinc/18/41/91/656184191.db2.gz BMQNIEATASYZKZ-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000902932151 656184195 /nfs/dbraw/zinc/18/41/95/656184195.db2.gz BMQNIEATASYZKZ-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903794254 656187113 /nfs/dbraw/zinc/18/71/13/656187113.db2.gz XVTZTYQMPIMJLM-SNVBAGLBSA-N 2 2 268.361 -1.044 20 0 CAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000905013616 656188557 /nfs/dbraw/zinc/18/85/57/656188557.db2.gz GUNAEQCXWRPTQW-NSHDSACASA-N 2 2 284.360 -1.793 20 0 CAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000904986297 656188934 /nfs/dbraw/zinc/18/89/34/656188934.db2.gz HIHSDSLISJLRIM-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000904986298 656189509 /nfs/dbraw/zinc/18/95/09/656189509.db2.gz HIHSDSLISJLRIM-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP [NH3+]CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329782 656191008 /nfs/dbraw/zinc/19/10/08/656191008.db2.gz OJRONMKKXDJEQY-UHFFFAOYSA-N 2 2 265.379 -1.023 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1CCO ZINC000907545905 656199007 /nfs/dbraw/zinc/19/90/07/656199007.db2.gz ZJJUJHJJGHXRRH-BZPMIXESSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1CCO ZINC000907545905 656199009 /nfs/dbraw/zinc/19/90/09/656199009.db2.gz ZJJUJHJJGHXRRH-BZPMIXESSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1CCO ZINC000907545905 656199010 /nfs/dbraw/zinc/19/90/10/656199010.db2.gz ZJJUJHJJGHXRRH-BZPMIXESSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1CCO ZINC000907545905 656199012 /nfs/dbraw/zinc/19/90/12/656199012.db2.gz ZJJUJHJJGHXRRH-BZPMIXESSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986660 656231902 /nfs/dbraw/zinc/23/19/02/656231902.db2.gz KYEZJLWFICUZCC-NXEZZACHSA-N 2 2 265.317 -1.277 20 0 CAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910987294 656232237 /nfs/dbraw/zinc/23/22/37/656232237.db2.gz NHCDYDWHFHTVCZ-NSHDSACASA-N 2 2 295.343 -1.554 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911505671 656249132 /nfs/dbraw/zinc/24/91/32/656249132.db2.gz GEGDFOKJVACMOR-UHFFFAOYSA-N 2 2 284.360 -1.616 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504379 656249185 /nfs/dbraw/zinc/24/91/85/656249185.db2.gz KPHNCCROVGIDDB-UHFFFAOYSA-N 2 2 254.334 -1.242 20 0 CAADLP [NH3+][C@@H](CC(=O)NCCN1CC[NH2+]CC1)C(F)F ZINC000911694022 656252422 /nfs/dbraw/zinc/25/24/22/656252422.db2.gz QMNJCCDFJIXZCG-QMMMGPOBSA-N 2 2 250.293 -1.010 20 0 CAADLP [NH3+][C@H](CC(=O)NCCN1CC[NH2+]CC1)C(F)F ZINC000911694019 656252515 /nfs/dbraw/zinc/25/25/15/656252515.db2.gz QMNJCCDFJIXZCG-MRVPVSSYSA-N 2 2 250.293 -1.010 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911905524 656256186 /nfs/dbraw/zinc/25/61/86/656256186.db2.gz RXIMVCFENBHBBC-DYEKYZERSA-N 2 2 283.372 -1.281 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911905524 656256194 /nfs/dbraw/zinc/25/61/94/656256194.db2.gz RXIMVCFENBHBBC-DYEKYZERSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911905524 656256201 /nfs/dbraw/zinc/25/62/01/656256201.db2.gz RXIMVCFENBHBBC-DYEKYZERSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911905524 656256207 /nfs/dbraw/zinc/25/62/07/656256207.db2.gz RXIMVCFENBHBBC-DYEKYZERSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC000912387713 656260090 /nfs/dbraw/zinc/26/00/90/656260090.db2.gz SOJBABNSMBUAHD-UHFFFAOYSA-N 2 2 299.419 -1.582 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCNC(=O)C1 ZINC000912387713 656260093 /nfs/dbraw/zinc/26/00/93/656260093.db2.gz SOJBABNSMBUAHD-UHFFFAOYSA-N 2 2 299.419 -1.582 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](CO)C1 ZINC000912733942 656264478 /nfs/dbraw/zinc/26/44/78/656264478.db2.gz AIMPLDRGNLUVCE-OLZOCXBDSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](CO)C1 ZINC000912733942 656264482 /nfs/dbraw/zinc/26/44/82/656264482.db2.gz AIMPLDRGNLUVCE-OLZOCXBDSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](CO)C1 ZINC000912733944 656264989 /nfs/dbraw/zinc/26/49/89/656264989.db2.gz AIMPLDRGNLUVCE-STQMWFEESA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](CO)C1 ZINC000912733944 656264990 /nfs/dbraw/zinc/26/49/90/656264990.db2.gz AIMPLDRGNLUVCE-STQMWFEESA-N 2 2 283.372 -1.158 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000912742943 656267146 /nfs/dbraw/zinc/26/71/46/656267146.db2.gz LVOLCYXONOKNOH-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000912742943 656267156 /nfs/dbraw/zinc/26/71/56/656267156.db2.gz LVOLCYXONOKNOH-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170917 656272234 /nfs/dbraw/zinc/27/22/34/656272234.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170917 656272241 /nfs/dbraw/zinc/27/22/41/656272241.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170917 656272244 /nfs/dbraw/zinc/27/22/44/656272244.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170917 656272246 /nfs/dbraw/zinc/27/22/46/656272246.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170918 656273232 /nfs/dbraw/zinc/27/32/32/656273232.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170918 656273237 /nfs/dbraw/zinc/27/32/37/656273237.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170918 656273243 /nfs/dbraw/zinc/27/32/43/656273243.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170918 656273251 /nfs/dbraw/zinc/27/32/51/656273251.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913177985 656273405 /nfs/dbraw/zinc/27/34/05/656273405.db2.gz BLUSYFMUOFBTKS-RAIGVLPGSA-N 2 2 287.360 -2.091 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913177985 656273408 /nfs/dbraw/zinc/27/34/08/656273408.db2.gz BLUSYFMUOFBTKS-RAIGVLPGSA-N 2 2 287.360 -2.091 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182945 656274845 /nfs/dbraw/zinc/27/48/45/656274845.db2.gz CGKYVZLTGQMBDK-LBPRGKRZSA-N 2 2 268.317 -1.341 20 0 CAADLP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913182387 656274952 /nfs/dbraw/zinc/27/49/52/656274952.db2.gz XGJDIRSYQSWHOC-BXUZGUMPSA-N 2 2 294.355 -1.087 20 0 CAADLP O=C(CNc1cccc[nH+]1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913183935 656275018 /nfs/dbraw/zinc/27/50/18/656275018.db2.gz MCHSTVIKONFTDG-CYBMUJFWSA-N 2 2 280.328 -1.039 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182943 656275471 /nfs/dbraw/zinc/27/54/71/656275471.db2.gz CGKYVZLTGQMBDK-GFCCVEGCSA-N 2 2 268.317 -1.341 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913188846 656277206 /nfs/dbraw/zinc/27/72/06/656277206.db2.gz NQKUUBXVRFWHSA-LBPRGKRZSA-N 2 2 268.317 -1.260 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913187208 656277295 /nfs/dbraw/zinc/27/72/95/656277295.db2.gz XAMIGDAFTPKTAS-PWSUYJOCSA-N 2 2 273.333 -2.216 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913187208 656277299 /nfs/dbraw/zinc/27/72/99/656277299.db2.gz XAMIGDAFTPKTAS-PWSUYJOCSA-N 2 2 273.333 -2.216 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913188845 656277594 /nfs/dbraw/zinc/27/75/94/656277594.db2.gz NQKUUBXVRFWHSA-GFCCVEGCSA-N 2 2 268.317 -1.260 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913186521 656277676 /nfs/dbraw/zinc/27/76/76/656277676.db2.gz IRWWUFWGSGTEMX-WCQYABFASA-N 2 2 271.361 -1.062 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913186521 656277680 /nfs/dbraw/zinc/27/76/80/656277680.db2.gz IRWWUFWGSGTEMX-WCQYABFASA-N 2 2 271.361 -1.062 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913186496 656277885 /nfs/dbraw/zinc/27/78/85/656277885.db2.gz IHBNZRLEJLERCA-DGCLKSJQSA-N 2 2 287.360 -1.826 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913186496 656277892 /nfs/dbraw/zinc/27/78/92/656277892.db2.gz IHBNZRLEJLERCA-DGCLKSJQSA-N 2 2 287.360 -1.826 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913188458 656277987 /nfs/dbraw/zinc/27/79/87/656277987.db2.gz IRWWUFWGSGTEMX-YPMHNXCESA-N 2 2 271.361 -1.062 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913188458 656277991 /nfs/dbraw/zinc/27/79/91/656277991.db2.gz IRWWUFWGSGTEMX-YPMHNXCESA-N 2 2 271.361 -1.062 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913186520 656278078 /nfs/dbraw/zinc/27/80/78/656278078.db2.gz IRWWUFWGSGTEMX-AAEUAGOBSA-N 2 2 271.361 -1.062 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913186520 656278080 /nfs/dbraw/zinc/27/80/80/656278080.db2.gz IRWWUFWGSGTEMX-AAEUAGOBSA-N 2 2 271.361 -1.062 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351303 656281465 /nfs/dbraw/zinc/28/14/65/656281465.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351303 656281469 /nfs/dbraw/zinc/28/14/69/656281469.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351303 656281472 /nfs/dbraw/zinc/28/14/72/656281472.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351303 656281478 /nfs/dbraw/zinc/28/14/78/656281478.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351302 656281843 /nfs/dbraw/zinc/28/18/43/656281843.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351302 656281848 /nfs/dbraw/zinc/28/18/48/656281848.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351302 656281851 /nfs/dbraw/zinc/28/18/51/656281851.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351302 656281853 /nfs/dbraw/zinc/28/18/53/656281853.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351305 656281945 /nfs/dbraw/zinc/28/19/45/656281945.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351305 656281956 /nfs/dbraw/zinc/28/19/56/656281956.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351305 656281963 /nfs/dbraw/zinc/28/19/63/656281963.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351305 656281974 /nfs/dbraw/zinc/28/19/74/656281974.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 2 2 271.361 -1.376 20 0 CAADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913556121 656321763 /nfs/dbraw/zinc/32/17/63/656321763.db2.gz QGYFQHMWKJOYLZ-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913556121 656321765 /nfs/dbraw/zinc/32/17/65/656321765.db2.gz QGYFQHMWKJOYLZ-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913556121 656321767 /nfs/dbraw/zinc/32/17/67/656321767.db2.gz QGYFQHMWKJOYLZ-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913556121 656321769 /nfs/dbraw/zinc/32/17/69/656321769.db2.gz QGYFQHMWKJOYLZ-ZDUSSCGKSA-N 2 2 284.404 -1.385 20 0 CAADLP C[NH+](C)CC(=O)NC[C@H](CO)NC(=O)C[NH+](C)C ZINC000913915838 656341944 /nfs/dbraw/zinc/34/19/44/656341944.db2.gz QBXIIFXCKLVRJY-SECBINFHSA-N 2 2 260.338 -2.297 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031576688 656376533 /nfs/dbraw/zinc/37/65/33/656376533.db2.gz CUDVWOFIOBKXEP-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031576688 656376535 /nfs/dbraw/zinc/37/65/35/656376535.db2.gz CUDVWOFIOBKXEP-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031576689 656376689 /nfs/dbraw/zinc/37/66/89/656376689.db2.gz CUDVWOFIOBKXEP-NSHDSACASA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031576689 656376692 /nfs/dbraw/zinc/37/66/92/656376692.db2.gz CUDVWOFIOBKXEP-NSHDSACASA-N 2 2 268.361 -1.125 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031596095 656377243 /nfs/dbraw/zinc/37/72/43/656377243.db2.gz FYOYNBCWBNPVGX-NSHDSACASA-N 2 2 257.334 -1.643 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031596095 656377247 /nfs/dbraw/zinc/37/72/47/656377247.db2.gz FYOYNBCWBNPVGX-NSHDSACASA-N 2 2 257.334 -1.643 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031596094 656377639 /nfs/dbraw/zinc/37/76/39/656377639.db2.gz FYOYNBCWBNPVGX-LLVKDONJSA-N 2 2 257.334 -1.643 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001031596094 656377641 /nfs/dbraw/zinc/37/76/41/656377641.db2.gz FYOYNBCWBNPVGX-LLVKDONJSA-N 2 2 257.334 -1.643 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675466 656382690 /nfs/dbraw/zinc/38/26/90/656382690.db2.gz JBYBTKMMTMBEND-LBPRGKRZSA-N 2 2 280.372 -1.139 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001031682713 656383291 /nfs/dbraw/zinc/38/32/91/656383291.db2.gz SSAPZIKASJTJTJ-MWLCHTKSSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001031682713 656383295 /nfs/dbraw/zinc/38/32/95/656383295.db2.gz SSAPZIKASJTJTJ-MWLCHTKSSA-N 2 2 268.361 -1.140 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689634 656383382 /nfs/dbraw/zinc/38/33/82/656383382.db2.gz XWFJWSWZHDLNCW-RYUDHWBXSA-N 2 2 296.371 -1.617 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689634 656383387 /nfs/dbraw/zinc/38/33/87/656383387.db2.gz XWFJWSWZHDLNCW-RYUDHWBXSA-N 2 2 296.371 -1.617 20 0 CAADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC000939412853 656396012 /nfs/dbraw/zinc/39/60/12/656396012.db2.gz HQODMONALZGEDS-RKDXNWHRSA-N 2 2 265.317 -1.126 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980606 656447794 /nfs/dbraw/zinc/44/77/94/656447794.db2.gz WNPLCVYVUUIDMH-KOLCDFICSA-N 2 2 268.361 -1.283 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980606 656447800 /nfs/dbraw/zinc/44/78/00/656447800.db2.gz WNPLCVYVUUIDMH-KOLCDFICSA-N 2 2 268.361 -1.283 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032181158 656468009 /nfs/dbraw/zinc/46/80/09/656468009.db2.gz BKZMGTLDKRUEDJ-RYUDHWBXSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032181158 656468012 /nfs/dbraw/zinc/46/80/12/656468012.db2.gz BKZMGTLDKRUEDJ-RYUDHWBXSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032181159 656468292 /nfs/dbraw/zinc/46/82/92/656468292.db2.gz BKZMGTLDKRUEDJ-VXGBXAGGSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001032181159 656468296 /nfs/dbraw/zinc/46/82/96/656468296.db2.gz BKZMGTLDKRUEDJ-VXGBXAGGSA-N 2 2 280.372 -1.125 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001032197335 656470653 /nfs/dbraw/zinc/47/06/53/656470653.db2.gz ITCCLIUAUXUDDQ-PWSUYJOCSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001032197335 656470657 /nfs/dbraw/zinc/47/06/57/656470657.db2.gz ITCCLIUAUXUDDQ-PWSUYJOCSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)C1 ZINC001032201700 656471200 /nfs/dbraw/zinc/47/12/00/656471200.db2.gz IQVXDAWIPGJVHX-GFCCVEGCSA-N 2 2 298.387 -1.499 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)C1 ZINC001032201700 656471204 /nfs/dbraw/zinc/47/12/04/656471204.db2.gz IQVXDAWIPGJVHX-GFCCVEGCSA-N 2 2 298.387 -1.499 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)C1 ZINC001032201701 656471538 /nfs/dbraw/zinc/47/15/38/656471538.db2.gz IQVXDAWIPGJVHX-LBPRGKRZSA-N 2 2 298.387 -1.499 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)C1 ZINC001032201701 656471540 /nfs/dbraw/zinc/47/15/40/656471540.db2.gz IQVXDAWIPGJVHX-LBPRGKRZSA-N 2 2 298.387 -1.499 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604126 656473660 /nfs/dbraw/zinc/47/36/60/656473660.db2.gz LAYVHZXRVDPXGP-QWRGUYRKSA-N 2 2 298.387 -1.371 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604116 656473962 /nfs/dbraw/zinc/47/39/62/656473962.db2.gz LAYVHZXRVDPXGP-GHMZBOCLSA-N 2 2 298.387 -1.371 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821929 656562741 /nfs/dbraw/zinc/56/27/41/656562741.db2.gz FGMJXTBOCILVDF-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821929 656562747 /nfs/dbraw/zinc/56/27/47/656562747.db2.gz FGMJXTBOCILVDF-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032684429 656570838 /nfs/dbraw/zinc/57/08/38/656570838.db2.gz PYLBIBNRZMEKBN-STQMWFEESA-N 2 2 283.372 -1.014 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032684429 656570848 /nfs/dbraw/zinc/57/08/48/656570848.db2.gz PYLBIBNRZMEKBN-STQMWFEESA-N 2 2 283.372 -1.014 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032792848 656608985 /nfs/dbraw/zinc/60/89/85/656608985.db2.gz OTCYZFFGNAHVRS-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032792848 656608988 /nfs/dbraw/zinc/60/89/88/656608988.db2.gz OTCYZFFGNAHVRS-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032792848 656608995 /nfs/dbraw/zinc/60/89/95/656608995.db2.gz OTCYZFFGNAHVRS-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032792848 656609001 /nfs/dbraw/zinc/60/90/01/656609001.db2.gz OTCYZFFGNAHVRS-RWMBFGLXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002535092 656630593 /nfs/dbraw/zinc/63/05/93/656630593.db2.gz PKZJTVWSVDUYGV-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002535092 656630595 /nfs/dbraw/zinc/63/05/95/656630595.db2.gz PKZJTVWSVDUYGV-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929259776 656633176 /nfs/dbraw/zinc/63/31/76/656633176.db2.gz NARZJKMENXNTIF-LBPRGKRZSA-N 2 2 285.388 -1.032 20 0 CAADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCOCCO ZINC000922113139 656639483 /nfs/dbraw/zinc/63/94/83/656639483.db2.gz JAUKJISBIXZPKB-UHFFFAOYSA-N 2 2 270.333 -1.060 20 0 CAADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCOCCO ZINC000922113139 656639497 /nfs/dbraw/zinc/63/94/97/656639497.db2.gz JAUKJISBIXZPKB-UHFFFAOYSA-N 2 2 270.333 -1.060 20 0 CAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001032981367 656671485 /nfs/dbraw/zinc/67/14/85/656671485.db2.gz RKPLCSTWNDSMFJ-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001032981367 656671488 /nfs/dbraw/zinc/67/14/88/656671488.db2.gz RKPLCSTWNDSMFJ-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001032981367 656671491 /nfs/dbraw/zinc/67/14/91/656671491.db2.gz RKPLCSTWNDSMFJ-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004184043 656679531 /nfs/dbraw/zinc/67/95/31/656679531.db2.gz BULIJICRFCEZSR-GFCCVEGCSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004184043 656679534 /nfs/dbraw/zinc/67/95/34/656679534.db2.gz BULIJICRFCEZSR-GFCCVEGCSA-N 2 2 298.387 -1.227 20 0 CAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033663656 656724995 /nfs/dbraw/zinc/72/49/95/656724995.db2.gz XCIJUZQVJKKQDW-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033663656 656725001 /nfs/dbraw/zinc/72/50/01/656725001.db2.gz XCIJUZQVJKKQDW-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033663656 656725011 /nfs/dbraw/zinc/72/50/11/656725011.db2.gz XCIJUZQVJKKQDW-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033663656 656725025 /nfs/dbraw/zinc/72/50/25/656725025.db2.gz XCIJUZQVJKKQDW-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033663655 656725725 /nfs/dbraw/zinc/72/57/25/656725725.db2.gz XCIJUZQVJKKQDW-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033663655 656725737 /nfs/dbraw/zinc/72/57/37/656725737.db2.gz XCIJUZQVJKKQDW-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033663655 656725754 /nfs/dbraw/zinc/72/57/54/656725754.db2.gz XCIJUZQVJKKQDW-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033663655 656725767 /nfs/dbraw/zinc/72/57/67/656725767.db2.gz XCIJUZQVJKKQDW-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033663657 656727077 /nfs/dbraw/zinc/72/70/77/656727077.db2.gz XCIJUZQVJKKQDW-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033663657 656727078 /nfs/dbraw/zinc/72/70/78/656727078.db2.gz XCIJUZQVJKKQDW-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033663657 656727080 /nfs/dbraw/zinc/72/70/80/656727080.db2.gz XCIJUZQVJKKQDW-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033663657 656727083 /nfs/dbraw/zinc/72/70/83/656727083.db2.gz XCIJUZQVJKKQDW-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035312224 656757042 /nfs/dbraw/zinc/75/70/42/656757042.db2.gz HCEYWHOJEGLBSN-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035312224 656757047 /nfs/dbraw/zinc/75/70/47/656757047.db2.gz HCEYWHOJEGLBSN-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035312224 656757050 /nfs/dbraw/zinc/75/70/50/656757050.db2.gz HCEYWHOJEGLBSN-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035312224 656757053 /nfs/dbraw/zinc/75/70/53/656757053.db2.gz HCEYWHOJEGLBSN-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035615588 656779930 /nfs/dbraw/zinc/77/99/30/656779930.db2.gz ZEWYFPKQLQPHIH-NEPJUHHUSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035615588 656779941 /nfs/dbraw/zinc/77/99/41/656779941.db2.gz ZEWYFPKQLQPHIH-NEPJUHHUSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035615588 656779955 /nfs/dbraw/zinc/77/99/55/656779955.db2.gz ZEWYFPKQLQPHIH-NEPJUHHUSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035615588 656779970 /nfs/dbraw/zinc/77/99/70/656779970.db2.gz ZEWYFPKQLQPHIH-NEPJUHHUSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001035615589 656781315 /nfs/dbraw/zinc/78/13/15/656781315.db2.gz ZEWYFPKQLQPHIH-NWDGAFQWSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001035615589 656781331 /nfs/dbraw/zinc/78/13/31/656781331.db2.gz ZEWYFPKQLQPHIH-NWDGAFQWSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035615589 656781343 /nfs/dbraw/zinc/78/13/43/656781343.db2.gz ZEWYFPKQLQPHIH-NWDGAFQWSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035615589 656781366 /nfs/dbraw/zinc/78/13/66/656781366.db2.gz ZEWYFPKQLQPHIH-NWDGAFQWSA-N 2 2 271.361 -1.253 20 0 CAADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332102 656802553 /nfs/dbraw/zinc/80/25/53/656802553.db2.gz HCKLDWHEOOABLS-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP COC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332102 656802555 /nfs/dbraw/zinc/80/25/55/656802555.db2.gz HCKLDWHEOOABLS-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP CS(=O)(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923302364 656802926 /nfs/dbraw/zinc/80/29/26/656802926.db2.gz WGDZWEFKSXXILG-NSHDSACASA-N 2 2 289.401 -1.058 20 0 CAADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000923334348 656803273 /nfs/dbraw/zinc/80/32/73/656803273.db2.gz WNDNODNBLSXNKI-RNJOBUHISA-N 3 2 282.388 -1.267 20 0 CAADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000923334348 656803275 /nfs/dbraw/zinc/80/32/75/656803275.db2.gz WNDNODNBLSXNKI-RNJOBUHISA-N 3 2 282.388 -1.267 20 0 CAADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923302995 656803281 /nfs/dbraw/zinc/80/32/81/656803281.db2.gz GPZYZHILIUHTRB-VLEAKVRGSA-N 2 2 277.390 -1.149 20 0 CAADLP CS(=O)(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923302995 656803285 /nfs/dbraw/zinc/80/32/85/656803285.db2.gz GPZYZHILIUHTRB-VLEAKVRGSA-N 2 2 277.390 -1.149 20 0 CAADLP CNC(=O)NC[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398724 656803561 /nfs/dbraw/zinc/80/35/61/656803561.db2.gz LOPWQMYYDKMNOG-RYUDHWBXSA-N 2 2 298.387 -1.005 20 0 CAADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398724 656803564 /nfs/dbraw/zinc/80/35/64/656803564.db2.gz LOPWQMYYDKMNOG-RYUDHWBXSA-N 2 2 298.387 -1.005 20 0 CAADLP CNC(=O)NC[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398719 656804154 /nfs/dbraw/zinc/80/41/54/656804154.db2.gz LOPWQMYYDKMNOG-NEPJUHHUSA-N 2 2 298.387 -1.005 20 0 CAADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398719 656804157 /nfs/dbraw/zinc/80/41/57/656804157.db2.gz LOPWQMYYDKMNOG-NEPJUHHUSA-N 2 2 298.387 -1.005 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473096 656805741 /nfs/dbraw/zinc/80/57/41/656805741.db2.gz PQEYQHKLMBXLOG-CYBMUJFWSA-N 2 2 287.360 -1.207 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473096 656805748 /nfs/dbraw/zinc/80/57/48/656805748.db2.gz PQEYQHKLMBXLOG-CYBMUJFWSA-N 2 2 287.360 -1.207 20 0 CAADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000923521076 656806218 /nfs/dbraw/zinc/80/62/18/656806218.db2.gz ZJEWNQKLIWJZFE-WDEREUQCSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000923521076 656806220 /nfs/dbraw/zinc/80/62/20/656806220.db2.gz ZJEWNQKLIWJZFE-WDEREUQCSA-N 2 2 266.345 -1.514 20 0 CAADLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923477511 656806240 /nfs/dbraw/zinc/80/62/40/656806240.db2.gz KUBBQEVURJSAIW-ZDUSSCGKSA-N 3 2 270.377 -1.406 20 0 CAADLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923477511 656806242 /nfs/dbraw/zinc/80/62/42/656806242.db2.gz KUBBQEVURJSAIW-ZDUSSCGKSA-N 3 2 270.377 -1.406 20 0 CAADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000923620635 656810326 /nfs/dbraw/zinc/81/03/26/656810326.db2.gz KGNCYWDLHAGBJE-VHSXEESVSA-N 2 2 277.390 -1.325 20 0 CAADLP O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)N1CC[NH2+]CC1 ZINC000923646424 656812308 /nfs/dbraw/zinc/81/23/08/656812308.db2.gz RTKVBRALEBKZFS-SECBINFHSA-N 2 2 298.359 -1.029 20 0 CAADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000923645187 656812345 /nfs/dbraw/zinc/81/23/45/656812345.db2.gz RAUDOHLNYIAMOR-WDEREUQCSA-N 2 2 290.389 -1.801 20 0 CAADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000923645185 656812616 /nfs/dbraw/zinc/81/26/16/656812616.db2.gz RAUDOHLNYIAMOR-MNOVXSKESA-N 2 2 290.389 -1.801 20 0 CAADLP CC(C)NS(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923693355 656815785 /nfs/dbraw/zinc/81/57/85/656815785.db2.gz ZCVAGZAUVAYNAZ-UHFFFAOYSA-N 2 2 250.368 -1.276 20 0 CAADLP C[NH+](C)C1(CS(=O)(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000923693363 656816097 /nfs/dbraw/zinc/81/60/97/656816097.db2.gz MFWYHAXGOCVEDY-UHFFFAOYSA-N 2 2 290.433 -1.095 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000924840073 656818023 /nfs/dbraw/zinc/81/80/23/656818023.db2.gz AHTFMPJURPYROD-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926410822 656822490 /nfs/dbraw/zinc/82/24/90/656822490.db2.gz BHWFJQPFTGRUHK-CYBMUJFWSA-N 2 2 284.360 -1.927 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000930008248 656835027 /nfs/dbraw/zinc/83/50/27/656835027.db2.gz ATKRWMMWPHEVAQ-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000930008248 656835031 /nfs/dbraw/zinc/83/50/31/656835031.db2.gz ATKRWMMWPHEVAQ-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000930008248 656835032 /nfs/dbraw/zinc/83/50/32/656835032.db2.gz ATKRWMMWPHEVAQ-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000930008248 656835035 /nfs/dbraw/zinc/83/50/35/656835035.db2.gz ATKRWMMWPHEVAQ-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000930008245 656835177 /nfs/dbraw/zinc/83/51/77/656835177.db2.gz ATKRWMMWPHEVAQ-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000930008245 656835179 /nfs/dbraw/zinc/83/51/79/656835179.db2.gz ATKRWMMWPHEVAQ-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000930008245 656835184 /nfs/dbraw/zinc/83/51/84/656835184.db2.gz ATKRWMMWPHEVAQ-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000930008245 656835185 /nfs/dbraw/zinc/83/51/85/656835185.db2.gz ATKRWMMWPHEVAQ-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C2(O)CCC2)CC1=O ZINC000930850872 656842558 /nfs/dbraw/zinc/84/25/58/656842558.db2.gz VGVNMMRSCABTNU-LBPRGKRZSA-N 2 2 285.388 -1.032 20 0 CAADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000931887691 656851007 /nfs/dbraw/zinc/85/10/07/656851007.db2.gz XBWCOLZSYDLDDH-GRYCIOLGSA-N 2 2 296.371 -1.916 20 0 CAADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000931887691 656851009 /nfs/dbraw/zinc/85/10/09/656851009.db2.gz XBWCOLZSYDLDDH-GRYCIOLGSA-N 2 2 296.371 -1.916 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000931887691 656851015 /nfs/dbraw/zinc/85/10/15/656851015.db2.gz XBWCOLZSYDLDDH-GRYCIOLGSA-N 2 2 296.371 -1.916 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000931887691 656851016 /nfs/dbraw/zinc/85/10/16/656851016.db2.gz XBWCOLZSYDLDDH-GRYCIOLGSA-N 2 2 296.371 -1.916 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946139 656855451 /nfs/dbraw/zinc/85/54/51/656855451.db2.gz CIARWOFLOZRDHV-WDEREUQCSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946139 656855453 /nfs/dbraw/zinc/85/54/53/656855453.db2.gz CIARWOFLOZRDHV-WDEREUQCSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946139 656855455 /nfs/dbraw/zinc/85/54/55/656855455.db2.gz CIARWOFLOZRDHV-WDEREUQCSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946139 656855457 /nfs/dbraw/zinc/85/54/57/656855457.db2.gz CIARWOFLOZRDHV-WDEREUQCSA-N 2 2 279.406 -1.091 20 0 CAADLP Cc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)nc(N)[nH+]1 ZINC000631328507 656885455 /nfs/dbraw/zinc/88/54/55/656885455.db2.gz JLXXRVVHSIZACD-UHFFFAOYSA-N 2 2 279.348 -1.028 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000250399950 656929533 /nfs/dbraw/zinc/92/95/33/656929533.db2.gz SCROWSNJRFZRLF-RYUDHWBXSA-N 2 2 290.433 -1.096 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000250399950 656929536 /nfs/dbraw/zinc/92/95/36/656929536.db2.gz SCROWSNJRFZRLF-RYUDHWBXSA-N 2 2 290.433 -1.096 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000961168345 657003078 /nfs/dbraw/zinc/00/30/78/657003078.db2.gz BVRSDSIIYDWTNI-IWIIMEHWSA-N 2 2 277.328 -1.277 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000961168345 657003086 /nfs/dbraw/zinc/00/30/86/657003086.db2.gz BVRSDSIIYDWTNI-IWIIMEHWSA-N 2 2 277.328 -1.277 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962144874 657016936 /nfs/dbraw/zinc/01/69/36/657016936.db2.gz DFKZPSMAHSUGHN-MPXOCVNLSA-N 2 2 289.339 -1.113 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962144874 657016944 /nfs/dbraw/zinc/01/69/44/657016944.db2.gz DFKZPSMAHSUGHN-MPXOCVNLSA-N 2 2 289.339 -1.113 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291953 657018906 /nfs/dbraw/zinc/01/89/06/657018906.db2.gz GSKZTHAPZJIHQP-MVVXRAEJSA-N 2 2 291.355 -1.117 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291953 657018912 /nfs/dbraw/zinc/01/89/12/657018912.db2.gz GSKZTHAPZJIHQP-MVVXRAEJSA-N 2 2 291.355 -1.117 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291948 657018956 /nfs/dbraw/zinc/01/89/56/657018956.db2.gz GSKZTHAPZJIHQP-GOONRYMUSA-N 2 2 291.355 -1.117 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291948 657018959 /nfs/dbraw/zinc/01/89/59/657018959.db2.gz GSKZTHAPZJIHQP-GOONRYMUSA-N 2 2 291.355 -1.117 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000962577748 657022020 /nfs/dbraw/zinc/02/20/20/657022020.db2.gz NPXZQEMGAQUABU-IWIIMEHWSA-N 2 2 277.328 -1.277 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000962577748 657022026 /nfs/dbraw/zinc/02/20/26/657022026.db2.gz NPXZQEMGAQUABU-IWIIMEHWSA-N 2 2 277.328 -1.277 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963024721 657024354 /nfs/dbraw/zinc/02/43/54/657024354.db2.gz VKDNKXYDSHRKMS-UXCLJVHYSA-N 2 2 277.328 -1.197 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963024721 657024358 /nfs/dbraw/zinc/02/43/58/657024358.db2.gz VKDNKXYDSHRKMS-UXCLJVHYSA-N 2 2 277.328 -1.197 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016249154 657202534 /nfs/dbraw/zinc/20/25/34/657202534.db2.gz FZRLIJHLCAFBDN-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016249154 657202543 /nfs/dbraw/zinc/20/25/43/657202543.db2.gz FZRLIJHLCAFBDN-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016249154 657202549 /nfs/dbraw/zinc/20/25/49/657202549.db2.gz FZRLIJHLCAFBDN-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249154 657202554 /nfs/dbraw/zinc/20/25/54/657202554.db2.gz FZRLIJHLCAFBDN-QWRGUYRKSA-N 2 2 268.361 -1.125 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257234 657206009 /nfs/dbraw/zinc/20/60/09/657206009.db2.gz VWVHGBVVNIZRDR-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257234 657206015 /nfs/dbraw/zinc/20/60/15/657206015.db2.gz VWVHGBVVNIZRDR-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016257234 657206023 /nfs/dbraw/zinc/20/60/23/657206023.db2.gz VWVHGBVVNIZRDR-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016257234 657206029 /nfs/dbraw/zinc/20/60/29/657206029.db2.gz VWVHGBVVNIZRDR-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001016259653 657206047 /nfs/dbraw/zinc/20/60/47/657206047.db2.gz JEGSHFOXJNPOHV-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016259653 657206058 /nfs/dbraw/zinc/20/60/58/657206058.db2.gz JEGSHFOXJNPOHV-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257239 657206119 /nfs/dbraw/zinc/20/61/19/657206119.db2.gz VWVHGBVVNIZRDR-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257239 657206127 /nfs/dbraw/zinc/20/61/27/657206127.db2.gz VWVHGBVVNIZRDR-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016257239 657206130 /nfs/dbraw/zinc/20/61/30/657206130.db2.gz VWVHGBVVNIZRDR-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016257239 657206134 /nfs/dbraw/zinc/20/61/34/657206134.db2.gz VWVHGBVVNIZRDR-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001016259655 657207002 /nfs/dbraw/zinc/20/70/02/657207002.db2.gz JEGSHFOXJNPOHV-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001016259655 657207009 /nfs/dbraw/zinc/20/70/09/657207009.db2.gz JEGSHFOXJNPOHV-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018666021 657240057 /nfs/dbraw/zinc/24/00/57/657240057.db2.gz YXWFGNAZWYXCGN-UWVGGRQHSA-N 2 2 270.333 -2.007 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018666021 657240072 /nfs/dbraw/zinc/24/00/72/657240072.db2.gz YXWFGNAZWYXCGN-UWVGGRQHSA-N 2 2 270.333 -2.007 20 0 CAADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019212913 657257976 /nfs/dbraw/zinc/25/79/76/657257976.db2.gz UDSXROYGRLREIY-JTQLQIEISA-N 2 2 265.317 -1.051 20 0 CAADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019564482 657272468 /nfs/dbraw/zinc/27/24/68/657272468.db2.gz RPCZCIGYQFEIMW-QMMMGPOBSA-N 2 2 251.290 -1.372 20 0 CAADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001019867824 657282265 /nfs/dbraw/zinc/28/22/65/657282265.db2.gz MBYNPCQSQHEMCC-UWVGGRQHSA-N 2 2 265.317 -1.053 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039041349 782267946 /nfs/dbraw/zinc/26/79/46/782267946.db2.gz XXFFMUPAHWSIMT-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039041349 782267955 /nfs/dbraw/zinc/26/79/55/782267955.db2.gz XXFFMUPAHWSIMT-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001039041349 782267962 /nfs/dbraw/zinc/26/79/62/782267962.db2.gz XXFFMUPAHWSIMT-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001039041349 782267971 /nfs/dbraw/zinc/26/79/71/782267971.db2.gz XXFFMUPAHWSIMT-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039041348 782266804 /nfs/dbraw/zinc/26/68/04/782266804.db2.gz XXFFMUPAHWSIMT-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001039041348 782266812 /nfs/dbraw/zinc/26/68/12/782266812.db2.gz XXFFMUPAHWSIMT-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001039041348 782266820 /nfs/dbraw/zinc/26/68/20/782266820.db2.gz XXFFMUPAHWSIMT-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001039041348 782266832 /nfs/dbraw/zinc/26/68/32/782266832.db2.gz XXFFMUPAHWSIMT-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039041346 782267695 /nfs/dbraw/zinc/26/76/95/782267695.db2.gz XXFFMUPAHWSIMT-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001039041346 782267701 /nfs/dbraw/zinc/26/77/01/782267701.db2.gz XXFFMUPAHWSIMT-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001039041346 782267708 /nfs/dbraw/zinc/26/77/08/782267708.db2.gz XXFFMUPAHWSIMT-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001039041346 782267718 /nfs/dbraw/zinc/26/77/18/782267718.db2.gz XXFFMUPAHWSIMT-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758542 782345361 /nfs/dbraw/zinc/34/53/61/782345361.db2.gz KUKCEGFSUZRNFV-YPMHNXCESA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758542 782345375 /nfs/dbraw/zinc/34/53/75/782345375.db2.gz KUKCEGFSUZRNFV-YPMHNXCESA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CCO)C1 ZINC001043392731 782364571 /nfs/dbraw/zinc/36/45/71/782364571.db2.gz WWNHDSDSPJIGTH-GLWUULTISA-N 2 2 295.383 -1.016 20 0 CAADLP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CCO)C1 ZINC001043392731 782364577 /nfs/dbraw/zinc/36/45/77/782364577.db2.gz WWNHDSDSPJIGTH-GLWUULTISA-N 2 2 295.383 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221127 782434522 /nfs/dbraw/zinc/43/45/22/782434522.db2.gz XIJSLQSPJGWFTR-WCQYABFASA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221127 782434526 /nfs/dbraw/zinc/43/45/26/782434526.db2.gz XIJSLQSPJGWFTR-WCQYABFASA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046221127 782434530 /nfs/dbraw/zinc/43/45/30/782434530.db2.gz XIJSLQSPJGWFTR-WCQYABFASA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046221127 782434535 /nfs/dbraw/zinc/43/45/35/782434535.db2.gz XIJSLQSPJGWFTR-WCQYABFASA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221129 782435046 /nfs/dbraw/zinc/43/50/46/782435046.db2.gz XIJSLQSPJGWFTR-YPMHNXCESA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221129 782435048 /nfs/dbraw/zinc/43/50/48/782435048.db2.gz XIJSLQSPJGWFTR-YPMHNXCESA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046221129 782435055 /nfs/dbraw/zinc/43/50/55/782435055.db2.gz XIJSLQSPJGWFTR-YPMHNXCESA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046221129 782435061 /nfs/dbraw/zinc/43/50/61/782435061.db2.gz XIJSLQSPJGWFTR-YPMHNXCESA-N 2 2 271.361 -1.110 20 0 CAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047324779 782461545 /nfs/dbraw/zinc/46/15/45/782461545.db2.gz YEPMAGKPWFZWNW-WOPDTQHZSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047324779 782461548 /nfs/dbraw/zinc/46/15/48/782461548.db2.gz YEPMAGKPWFZWNW-WOPDTQHZSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047324779 782461553 /nfs/dbraw/zinc/46/15/53/782461553.db2.gz YEPMAGKPWFZWNW-WOPDTQHZSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047324779 782461559 /nfs/dbraw/zinc/46/15/59/782461559.db2.gz YEPMAGKPWFZWNW-WOPDTQHZSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047333932 782463546 /nfs/dbraw/zinc/46/35/46/782463546.db2.gz UPHOZIYNKFBPBB-SRVKXCTJSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047333932 782463557 /nfs/dbraw/zinc/46/35/57/782463557.db2.gz UPHOZIYNKFBPBB-SRVKXCTJSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047333932 782463559 /nfs/dbraw/zinc/46/35/59/782463559.db2.gz UPHOZIYNKFBPBB-SRVKXCTJSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047333932 782463564 /nfs/dbraw/zinc/46/35/64/782463564.db2.gz UPHOZIYNKFBPBB-SRVKXCTJSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047544939 782491304 /nfs/dbraw/zinc/49/13/04/782491304.db2.gz LGSKRAJUNLBUOK-RYUDHWBXSA-N 2 2 282.344 -1.162 20 0 CAADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047544939 782491309 /nfs/dbraw/zinc/49/13/09/782491309.db2.gz LGSKRAJUNLBUOK-RYUDHWBXSA-N 2 2 282.344 -1.162 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598196 782497037 /nfs/dbraw/zinc/49/70/37/782497037.db2.gz ZLSKUOBHBULWGC-DRZSPHRISA-N 2 2 296.371 -1.153 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598196 782497046 /nfs/dbraw/zinc/49/70/46/782497046.db2.gz ZLSKUOBHBULWGC-DRZSPHRISA-N 2 2 296.371 -1.153 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047611935 782501253 /nfs/dbraw/zinc/50/12/53/782501253.db2.gz MEJFCPREDNUOKI-RYUDHWBXSA-N 2 2 282.344 -1.244 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047611935 782501262 /nfs/dbraw/zinc/50/12/62/782501262.db2.gz MEJFCPREDNUOKI-RYUDHWBXSA-N 2 2 282.344 -1.244 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645939 782502392 /nfs/dbraw/zinc/50/23/92/782502392.db2.gz CKJQUXLRRJNBML-WOPDTQHZSA-N 2 2 282.344 -1.233 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645939 782502398 /nfs/dbraw/zinc/50/23/98/782502398.db2.gz CKJQUXLRRJNBML-WOPDTQHZSA-N 2 2 282.344 -1.233 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739409 782515865 /nfs/dbraw/zinc/51/58/65/782515865.db2.gz JVACKEOQHYWHRQ-GRYCIOLGSA-N 2 2 296.371 -1.808 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739409 782515871 /nfs/dbraw/zinc/51/58/71/782515871.db2.gz JVACKEOQHYWHRQ-GRYCIOLGSA-N 2 2 296.371 -1.808 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739409 782515877 /nfs/dbraw/zinc/51/58/77/782515877.db2.gz JVACKEOQHYWHRQ-GRYCIOLGSA-N 2 2 296.371 -1.808 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739409 782515881 /nfs/dbraw/zinc/51/58/81/782515881.db2.gz JVACKEOQHYWHRQ-GRYCIOLGSA-N 2 2 296.371 -1.808 20 0 CAADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248425 782532825 /nfs/dbraw/zinc/53/28/25/782532825.db2.gz YKHKMPZPKDEPJY-PHIMTYICSA-N 2 2 277.328 -1.241 20 0 CAADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248425 782532829 /nfs/dbraw/zinc/53/28/29/782532829.db2.gz YKHKMPZPKDEPJY-PHIMTYICSA-N 2 2 277.328 -1.241 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H](C)O ZINC001133255501 776774560 /nfs/dbraw/zinc/77/45/60/776774560.db2.gz PVPWFAPGDUHHHK-SKDRFNHKSA-N 2 2 297.359 -1.457 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H](C)O ZINC001133255501 776774563 /nfs/dbraw/zinc/77/45/63/776774563.db2.gz PVPWFAPGDUHHHK-SKDRFNHKSA-N 2 2 297.359 -1.457 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001284447790 777944585 /nfs/dbraw/zinc/94/45/85/777944585.db2.gz WRGFDAFOSMRFAC-JTQLQIEISA-N 2 2 256.306 -1.647 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC001122224570 779661748 /nfs/dbraw/zinc/66/17/48/779661748.db2.gz MRMQVKFANGBHEJ-OPRDCNLKSA-N 2 2 254.334 -1.469 20 0 CAADLP CN1CC(=O)N(CC(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001122238587 779662011 /nfs/dbraw/zinc/66/20/11/779662011.db2.gz HHEGEFQSZANSMB-UHFFFAOYSA-N 2 2 297.359 -1.580 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219593973 780234726 /nfs/dbraw/zinc/23/47/26/780234726.db2.gz SVEURVMJTHBRQX-SSDOTTSWSA-N 3 2 252.340 -2.201 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237264 779678179 /nfs/dbraw/zinc/67/81/79/779678179.db2.gz KFZANIVQYDOVIE-WDEREUQCSA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237264 779678182 /nfs/dbraw/zinc/67/81/82/779678182.db2.gz KFZANIVQYDOVIE-WDEREUQCSA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237263 779678222 /nfs/dbraw/zinc/67/82/22/779678222.db2.gz KFZANIVQYDOVIE-QWRGUYRKSA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237263 779678227 /nfs/dbraw/zinc/67/82/27/779678227.db2.gz KFZANIVQYDOVIE-QWRGUYRKSA-N 3 2 296.371 -1.889 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344835 779839115 /nfs/dbraw/zinc/83/91/15/779839115.db2.gz LUIITHPQOBDIJQ-UHFFFAOYSA-N 2 2 296.331 -1.436 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001119005590 779601911 /nfs/dbraw/zinc/60/19/11/779601911.db2.gz MBIKWRQGFMPBJW-QFOLPQNPSA-N 2 2 266.345 -1.340 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)C1 ZINC001119005590 779601916 /nfs/dbraw/zinc/60/19/16/779601916.db2.gz MBIKWRQGFMPBJW-QFOLPQNPSA-N 2 2 266.345 -1.340 20 0 CAADLP COCCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287337 780535049 /nfs/dbraw/zinc/53/50/49/780535049.db2.gz YJYAXHPTRLYQPD-UHFFFAOYSA-N 2 2 273.381 -1.573 20 0 CAADLP [NH3+]CCS(=O)(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001239160937 780535166 /nfs/dbraw/zinc/53/51/66/780535166.db2.gz IEYWDIRGUMEPGU-NSHDSACASA-N 3 2 276.406 -1.228 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246625012 780558249 /nfs/dbraw/zinc/55/82/49/780558249.db2.gz GTULAVBTZUYKBU-QWRGUYRKSA-N 2 2 296.371 -1.556 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601127 780558585 /nfs/dbraw/zinc/55/85/85/780558585.db2.gz GWKQNTLTTFMTDT-HIFRSBDPSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@H+]1CCOC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601127 780558592 /nfs/dbraw/zinc/55/85/92/780558592.db2.gz GWKQNTLTTFMTDT-HIFRSBDPSA-N 3 2 296.415 -1.229 20 0 CAADLP COC(=O)[C@H]1C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C[NH2+]1 ZINC001246616832 780559114 /nfs/dbraw/zinc/55/91/14/780559114.db2.gz FMBSQTOXSWZEHX-RVMXOQNASA-N 3 2 282.388 -1.084 20 0 CAADLP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254318893 780602069 /nfs/dbraw/zinc/60/20/69/780602069.db2.gz ODWMPIRHOKFCRV-HTQZYQBOSA-N 2 2 250.320 -1.489 20 0 CAADLP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254318896 780602078 /nfs/dbraw/zinc/60/20/78/780602078.db2.gz ODWMPIRHOKFCRV-YUMQZZPRSA-N 2 2 250.320 -1.489 20 0 CAADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001254504391 780605693 /nfs/dbraw/zinc/60/56/93/780605693.db2.gz AKYKJQYIBHLLAW-TXWLSFLZSA-N 2 2 290.360 -2.140 20 0 CAADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001254504391 780605700 /nfs/dbraw/zinc/60/57/00/780605700.db2.gz AKYKJQYIBHLLAW-TXWLSFLZSA-N 2 2 290.360 -2.140 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221188606 780405905 /nfs/dbraw/zinc/40/59/05/780405905.db2.gz YWQDVAPPKRCQCD-BQBZGAKWSA-N 2 2 285.308 -2.534 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221190452 780406085 /nfs/dbraw/zinc/40/60/85/780406085.db2.gz OBALFEDWSXZVJG-CIUDSAMLSA-N 3 2 258.322 -2.070 20 0 CAADLP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164824 780406157 /nfs/dbraw/zinc/40/61/57/780406157.db2.gz SSQGVHMNVCIUKK-TUAOUCFPSA-N 2 2 298.343 -1.948 20 0 CAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164824 780406160 /nfs/dbraw/zinc/40/61/60/780406160.db2.gz SSQGVHMNVCIUKK-TUAOUCFPSA-N 2 2 298.343 -1.948 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221188614 780406195 /nfs/dbraw/zinc/40/61/95/780406195.db2.gz ZFJZZQIRTINAKB-UWVGGRQHSA-N 3 2 283.332 -1.324 20 0 CAADLP C[C@H]([NH3+])c1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)s1 ZINC001221264873 780410121 /nfs/dbraw/zinc/41/01/21/780410121.db2.gz BOINPDHLJZVTJG-ZITKLIBNSA-N 2 2 297.388 -1.705 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221264931 780410385 /nfs/dbraw/zinc/41/03/85/780410385.db2.gz CNSANRGAYUQAOJ-QBIYCVTQSA-N 2 2 290.393 -3.399 20 0 CAADLP C[C@H]([NH3+])c1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)s1 ZINC001221264872 780410587 /nfs/dbraw/zinc/41/05/87/780410587.db2.gz BOINPDHLJZVTJG-VHKYIWFCSA-N 2 2 297.388 -1.705 20 0 CAADLP [NH3+]C1(C(=O)N[C@H]2CCCNC(=O)C2)CC[NH2+]CC1 ZINC001221269190 780413224 /nfs/dbraw/zinc/41/32/24/780413224.db2.gz JQTRWBHFIXTBBG-VIFPVBQESA-N 2 2 254.334 -1.148 20 0 CAADLP COCC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001278187117 780513100 /nfs/dbraw/zinc/51/31/00/780513100.db2.gz NVYSNGYRILHOKA-SNVBAGLBSA-N 2 2 270.333 -1.026 20 0 CAADLP COCC[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001278187114 780513206 /nfs/dbraw/zinc/51/32/06/780513206.db2.gz NVYSNGYRILHOKA-JTQLQIEISA-N 2 2 270.333 -1.026 20 0 CAADLP CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238840807 780524991 /nfs/dbraw/zinc/52/49/91/780524991.db2.gz VCHVSENKQQIAOV-SECBINFHSA-N 2 2 279.362 -1.452 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2CNOC2)CC1 ZINC001262592636 780717451 /nfs/dbraw/zinc/71/74/51/780717451.db2.gz XJEQYWPBWMKSSD-SNVBAGLBSA-N 2 2 257.338 -1.388 20 0 CAADLP C[C@@H](NC(=O)CNCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001263099703 780719717 /nfs/dbraw/zinc/71/97/17/780719717.db2.gz RGGCGLDVKJGVBP-MNOVXSKESA-N 2 2 258.366 -1.240 20 0 CAADLP O=C([C@H]1CCc2[nH+]ccn2C1)N(CCO)CC[NH2+]CCO ZINC001279745325 780776306 /nfs/dbraw/zinc/77/63/06/780776306.db2.gz BZVDJMXWNYVIGG-LBPRGKRZSA-N 2 2 296.371 -1.152 20 0 CAADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N(CCO)CC[NH2+]CCO ZINC001279745323 780776684 /nfs/dbraw/zinc/77/66/84/780776684.db2.gz BZVDJMXWNYVIGG-GFCCVEGCSA-N 2 2 296.371 -1.152 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160596277 781454180 /nfs/dbraw/zinc/45/41/80/781454180.db2.gz FAGVRIXTHJYGRX-SUNKGSAMSA-N 2 2 297.355 -1.272 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160596279 781454227 /nfs/dbraw/zinc/45/42/27/781454227.db2.gz FAGVRIXTHJYGRX-UHIISALHSA-N 2 2 297.355 -1.272 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160595480 781454418 /nfs/dbraw/zinc/45/44/18/781454418.db2.gz CJFOOGNLTRREPX-WHOHXGKFSA-N 2 2 297.355 -1.273 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCO1 ZINC001160596490 781454860 /nfs/dbraw/zinc/45/48/60/781454860.db2.gz QACOKQMZLUZBGM-GUBZILKMSA-N 2 2 271.317 -1.676 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007548 782592830 /nfs/dbraw/zinc/59/28/30/782592830.db2.gz GVBUFKBAORGORN-NWDGAFQWSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007548 782592836 /nfs/dbraw/zinc/59/28/36/782592836.db2.gz GVBUFKBAORGORN-NWDGAFQWSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554146 782791848 /nfs/dbraw/zinc/79/18/48/782791848.db2.gz CVOVXRPATJTRPD-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554146 782791855 /nfs/dbraw/zinc/79/18/55/782791855.db2.gz CVOVXRPATJTRPD-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073554146 782791862 /nfs/dbraw/zinc/79/18/62/782791862.db2.gz CVOVXRPATJTRPD-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073554146 782791869 /nfs/dbraw/zinc/79/18/69/782791869.db2.gz CVOVXRPATJTRPD-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581902 782809386 /nfs/dbraw/zinc/80/93/86/782809386.db2.gz XHBNHHZHAUEHFW-SDDRHHMPSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581902 782809388 /nfs/dbraw/zinc/80/93/88/782809388.db2.gz XHBNHHZHAUEHFW-SDDRHHMPSA-N 2 2 271.361 -1.112 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099810231 782837234 /nfs/dbraw/zinc/83/72/34/782837234.db2.gz PWFOYXMPBLFJKO-GHMZBOCLSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099810231 782837241 /nfs/dbraw/zinc/83/72/41/782837241.db2.gz PWFOYXMPBLFJKO-GHMZBOCLSA-N 2 2 282.344 -1.114 20 0 CAADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880125 782841264 /nfs/dbraw/zinc/84/12/64/782841264.db2.gz VQGLXICPMHNGHI-NWDGAFQWSA-N 2 2 298.387 -1.493 20 0 CAADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880125 782841273 /nfs/dbraw/zinc/84/12/73/782841273.db2.gz VQGLXICPMHNGHI-NWDGAFQWSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880125 782841276 /nfs/dbraw/zinc/84/12/76/782841276.db2.gz VQGLXICPMHNGHI-NWDGAFQWSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880125 782841285 /nfs/dbraw/zinc/84/12/85/782841285.db2.gz VQGLXICPMHNGHI-NWDGAFQWSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099971128 782844770 /nfs/dbraw/zinc/84/47/70/782844770.db2.gz AWCAOZSAUNFQCD-MNOVXSKESA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099971128 782844776 /nfs/dbraw/zinc/84/47/76/782844776.db2.gz AWCAOZSAUNFQCD-MNOVXSKESA-N 2 2 298.387 -1.635 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099940348 782845154 /nfs/dbraw/zinc/84/51/54/782845154.db2.gz UAJOWRHPNLHKPU-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099940348 782845160 /nfs/dbraw/zinc/84/51/60/782845160.db2.gz UAJOWRHPNLHKPU-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099974984 782845279 /nfs/dbraw/zinc/84/52/79/782845279.db2.gz XDTTXFNXRBPWDE-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099974984 782845285 /nfs/dbraw/zinc/84/52/85/782845285.db2.gz XDTTXFNXRBPWDE-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099940346 782845349 /nfs/dbraw/zinc/84/53/49/782845349.db2.gz UAJOWRHPNLHKPU-NWDGAFQWSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099940346 782845354 /nfs/dbraw/zinc/84/53/54/782845354.db2.gz UAJOWRHPNLHKPU-NWDGAFQWSA-N 2 2 282.344 -1.183 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099974983 782845712 /nfs/dbraw/zinc/84/57/12/782845712.db2.gz XDTTXFNXRBPWDE-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099974983 782845720 /nfs/dbraw/zinc/84/57/20/782845720.db2.gz XDTTXFNXRBPWDE-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100048523 782849209 /nfs/dbraw/zinc/84/92/09/782849209.db2.gz MXVFEHVNYRQDFA-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100048523 782849215 /nfs/dbraw/zinc/84/92/15/782849215.db2.gz MXVFEHVNYRQDFA-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100064869 782850677 /nfs/dbraw/zinc/85/06/77/782850677.db2.gz SPSBBJSIDKRQLF-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100064869 782850684 /nfs/dbraw/zinc/85/06/84/782850684.db2.gz SPSBBJSIDKRQLF-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100064869 782850690 /nfs/dbraw/zinc/85/06/90/782850690.db2.gz SPSBBJSIDKRQLF-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100064869 782850698 /nfs/dbraw/zinc/85/06/98/782850698.db2.gz SPSBBJSIDKRQLF-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100094537 782851027 /nfs/dbraw/zinc/85/10/27/782851027.db2.gz OEZAOQBFXGAAED-CHWSQXEVSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100094537 782851032 /nfs/dbraw/zinc/85/10/32/782851032.db2.gz OEZAOQBFXGAAED-CHWSQXEVSA-N 2 2 296.371 -1.104 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100064871 782851129 /nfs/dbraw/zinc/85/11/29/782851129.db2.gz SPSBBJSIDKRQLF-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100064871 782851136 /nfs/dbraw/zinc/85/11/36/782851136.db2.gz SPSBBJSIDKRQLF-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100064871 782851143 /nfs/dbraw/zinc/85/11/43/782851143.db2.gz SPSBBJSIDKRQLF-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100064871 782851150 /nfs/dbraw/zinc/85/11/50/782851150.db2.gz SPSBBJSIDKRQLF-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100064872 782851220 /nfs/dbraw/zinc/85/12/20/782851220.db2.gz SPSBBJSIDKRQLF-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100064872 782851226 /nfs/dbraw/zinc/85/12/26/782851226.db2.gz SPSBBJSIDKRQLF-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100064872 782851232 /nfs/dbraw/zinc/85/12/32/782851232.db2.gz SPSBBJSIDKRQLF-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100064872 782851239 /nfs/dbraw/zinc/85/12/39/782851239.db2.gz SPSBBJSIDKRQLF-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342251 782881481 /nfs/dbraw/zinc/88/14/81/782881481.db2.gz UATUDFAISUJJNP-NMKXLXIOSA-N 2 2 294.355 -1.063 20 0 CAADLP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342251 782881486 /nfs/dbraw/zinc/88/14/86/782881486.db2.gz UATUDFAISUJJNP-NMKXLXIOSA-N 2 2 294.355 -1.063 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115341566 782881562 /nfs/dbraw/zinc/88/15/62/782881562.db2.gz FWPOFIBXFKBPKO-IMRBUKKESA-N 2 2 294.355 -1.062 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115341566 782881568 /nfs/dbraw/zinc/88/15/68/782881568.db2.gz FWPOFIBXFKBPKO-IMRBUKKESA-N 2 2 294.355 -1.062 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046367 782886514 /nfs/dbraw/zinc/88/65/14/782886514.db2.gz GHQINSOVTZVGJQ-KGLIPLIRSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046367 782886517 /nfs/dbraw/zinc/88/65/17/782886517.db2.gz GHQINSOVTZVGJQ-KGLIPLIRSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046368 782886308 /nfs/dbraw/zinc/88/63/08/782886308.db2.gz GHQINSOVTZVGJQ-UONOGXRCSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046368 782886315 /nfs/dbraw/zinc/88/63/15/782886315.db2.gz GHQINSOVTZVGJQ-UONOGXRCSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001266275249 775103628 /nfs/dbraw/zinc/10/36/28/775103628.db2.gz RVODVZWZXVTQDC-NXEZZACHSA-N 2 2 256.350 -1.140 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001266275249 775103635 /nfs/dbraw/zinc/10/36/35/775103635.db2.gz RVODVZWZXVTQDC-NXEZZACHSA-N 2 2 256.350 -1.140 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001266275249 775103641 /nfs/dbraw/zinc/10/36/41/775103641.db2.gz RVODVZWZXVTQDC-NXEZZACHSA-N 2 2 256.350 -1.140 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001266275249 775103646 /nfs/dbraw/zinc/10/36/46/775103646.db2.gz RVODVZWZXVTQDC-NXEZZACHSA-N 2 2 256.350 -1.140 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161268829 775104417 /nfs/dbraw/zinc/10/44/17/775104417.db2.gz MLJVISJLEXIPTR-YGRLFVJLSA-N 2 2 295.387 -1.142 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161268827 775105682 /nfs/dbraw/zinc/10/56/82/775105682.db2.gz MLJVISJLEXIPTR-IINYFYTJSA-N 2 2 295.387 -1.142 20 0 CAADLP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001266347028 775120977 /nfs/dbraw/zinc/12/09/77/775120977.db2.gz FBNMENQVFATTFT-JTQLQIEISA-N 2 2 256.350 -1.139 20 0 CAADLP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001266347028 775120984 /nfs/dbraw/zinc/12/09/84/775120984.db2.gz FBNMENQVFATTFT-JTQLQIEISA-N 2 2 256.350 -1.139 20 0 CAADLP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001266347028 775120989 /nfs/dbraw/zinc/12/09/89/775120989.db2.gz FBNMENQVFATTFT-JTQLQIEISA-N 2 2 256.350 -1.139 20 0 CAADLP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001266347028 775120997 /nfs/dbraw/zinc/12/09/97/775120997.db2.gz FBNMENQVFATTFT-JTQLQIEISA-N 2 2 256.350 -1.139 20 0 CAADLP CNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346659 775144375 /nfs/dbraw/zinc/14/43/75/775144375.db2.gz SCVFLMSRQQMGNI-UHFFFAOYSA-N 2 2 253.306 -1.206 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001167355582 775146673 /nfs/dbraw/zinc/14/66/73/775146673.db2.gz QHYCDVYJYUUFAH-JTQLQIEISA-N 2 2 265.317 -1.063 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001167349834 775147281 /nfs/dbraw/zinc/14/72/81/775147281.db2.gz IDNOMXODQSIDTE-QMMMGPOBSA-N 2 2 296.331 -1.369 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376652 775189591 /nfs/dbraw/zinc/18/95/91/775189591.db2.gz CCMLFEPEUFZRPK-OLZOCXBDSA-N 3 2 298.387 -1.099 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038143367 775229436 /nfs/dbraw/zinc/22/94/36/775229436.db2.gz SVVDGOKMTRMLLF-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038143367 775229444 /nfs/dbraw/zinc/22/94/44/775229444.db2.gz SVVDGOKMTRMLLF-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001038143367 775229449 /nfs/dbraw/zinc/22/94/49/775229449.db2.gz SVVDGOKMTRMLLF-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001038143367 775229456 /nfs/dbraw/zinc/22/94/56/775229456.db2.gz SVVDGOKMTRMLLF-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038143374 775230572 /nfs/dbraw/zinc/23/05/72/775230572.db2.gz SVVDGOKMTRMLLF-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038143374 775230582 /nfs/dbraw/zinc/23/05/82/775230582.db2.gz SVVDGOKMTRMLLF-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001038143374 775230583 /nfs/dbraw/zinc/23/05/83/775230583.db2.gz SVVDGOKMTRMLLF-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001038143374 775230593 /nfs/dbraw/zinc/23/05/93/775230593.db2.gz SVVDGOKMTRMLLF-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001267473694 775249526 /nfs/dbraw/zinc/24/95/26/775249526.db2.gz ISAKCJKZJQOJHV-UHFFFAOYSA-N 2 2 298.391 -1.003 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001267473694 775249534 /nfs/dbraw/zinc/24/95/34/775249534.db2.gz ISAKCJKZJQOJHV-UHFFFAOYSA-N 2 2 298.391 -1.003 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001149135043 775260027 /nfs/dbraw/zinc/26/00/27/775260027.db2.gz NUYAFXRKLUOTQI-QMMMGPOBSA-N 2 2 296.331 -1.450 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000311021120 775288238 /nfs/dbraw/zinc/28/82/38/775288238.db2.gz LSPJZFZIZKDJAR-JTQLQIEISA-N 2 2 259.350 -1.389 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000311021120 775288247 /nfs/dbraw/zinc/28/82/47/775288247.db2.gz LSPJZFZIZKDJAR-JTQLQIEISA-N 2 2 259.350 -1.389 20 0 CAADLP O=C(N[C@H]1COCC[C@@H]1O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220181193 775294814 /nfs/dbraw/zinc/29/48/14/775294814.db2.gz DNHLVUXAGLPONF-GMOBBJLQSA-N 2 2 255.318 -1.796 20 0 CAADLP NC(=O)[C@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220329729 775295697 /nfs/dbraw/zinc/29/56/97/775295697.db2.gz YSDAHBWWDIILJD-UWVGGRQHSA-N 2 2 266.301 -1.779 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1c[nH]nn1 ZINC001220329607 775296292 /nfs/dbraw/zinc/29/62/92/775296292.db2.gz UUZCFWACQNZWQS-JTQLQIEISA-N 2 2 267.337 -1.829 20 0 CAADLP COc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nn1 ZINC001220343544 775296974 /nfs/dbraw/zinc/29/69/74/775296974.db2.gz RVAODEGJACHAMQ-IUCAKERBSA-N 2 2 251.290 -1.352 20 0 CAADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220252224 775297558 /nfs/dbraw/zinc/29/75/58/775297558.db2.gz RSNHTBSKPRLSQC-BDAKNGLRSA-N 2 2 267.337 -1.330 20 0 CAADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220252224 775297567 /nfs/dbraw/zinc/29/75/67/775297567.db2.gz RSNHTBSKPRLSQC-BDAKNGLRSA-N 2 2 267.337 -1.330 20 0 CAADLP NC(=O)[C@@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220329730 775297828 /nfs/dbraw/zinc/29/78/28/775297828.db2.gz YSDAHBWWDIILJD-VHSXEESVSA-N 2 2 266.301 -1.779 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1nncs1 ZINC001221015489 775299115 /nfs/dbraw/zinc/29/91/15/775299115.db2.gz JISDQUGQYNNWAY-JTQLQIEISA-N 2 2 298.416 -1.053 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221370543 775302372 /nfs/dbraw/zinc/30/23/72/775302372.db2.gz SJYPQSLUZGKDNX-QMMMGPOBSA-N 2 2 254.334 -1.292 20 0 CAADLP O=C(N1CC[NH2+]C2(CC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161544872 775360351 /nfs/dbraw/zinc/36/03/51/775360351.db2.gz HJGLNKOUALLOJO-ZWNOBZJWSA-N 3 2 250.346 -1.098 20 0 CAADLP O=C(N1CC[NH2+]C2(CC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161544871 775361144 /nfs/dbraw/zinc/36/11/44/775361144.db2.gz HJGLNKOUALLOJO-MFKMUULPSA-N 3 2 250.346 -1.098 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545645 775364862 /nfs/dbraw/zinc/36/48/62/775364862.db2.gz YIOSIRKKGWCFFE-ZETCQYMHSA-N 2 2 251.294 -1.966 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100871470 775366904 /nfs/dbraw/zinc/36/69/04/775366904.db2.gz SYLWTFLBSKTVNP-UHFFFAOYSA-N 2 2 279.344 -1.068 20 0 CAADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001268254912 775388469 /nfs/dbraw/zinc/38/84/69/775388469.db2.gz HJBFZUSIFVMHMF-UHFFFAOYSA-N 2 2 268.361 -1.042 20 0 CAADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001268254912 775388477 /nfs/dbraw/zinc/38/84/77/775388477.db2.gz HJBFZUSIFVMHMF-UHFFFAOYSA-N 2 2 268.361 -1.042 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001268308179 775396937 /nfs/dbraw/zinc/39/69/37/775396937.db2.gz YGNAHPMJEGVKKU-VIFPVBQESA-N 2 2 269.305 -2.106 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001268308179 775396951 /nfs/dbraw/zinc/39/69/51/775396951.db2.gz YGNAHPMJEGVKKU-VIFPVBQESA-N 2 2 269.305 -2.106 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268314854 775400259 /nfs/dbraw/zinc/40/02/59/775400259.db2.gz MCNRDBSYEOADDE-NEPJUHHUSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001268316767 775401152 /nfs/dbraw/zinc/40/11/52/775401152.db2.gz VOYNYUGLUATILE-CMPLNLGQSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001268316772 775401270 /nfs/dbraw/zinc/40/12/70/775401270.db2.gz VOYNYUGLUATILE-JQWIXIFHSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CCCO ZINC001268325110 775402962 /nfs/dbraw/zinc/40/29/62/775402962.db2.gz RNWNGEUWHSVJRN-JTQLQIEISA-N 2 2 256.306 -1.599 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324718 775403238 /nfs/dbraw/zinc/40/32/38/775403238.db2.gz PUOMMHUXRPOABK-PSASIEDQSA-N 2 2 256.306 -1.600 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324727 775403316 /nfs/dbraw/zinc/40/33/16/775403316.db2.gz PUOMMHUXRPOABK-WCBMZHEXSA-N 2 2 256.306 -1.600 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324728 775403426 /nfs/dbraw/zinc/40/34/26/775403426.db2.gz PUOMMHUXRPOABK-WPRPVWTQSA-N 2 2 256.306 -1.600 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268328389 775405404 /nfs/dbraw/zinc/40/54/04/775405404.db2.gz XVYNIEGTCDRYPW-QMMMGPOBSA-N 2 2 269.305 -2.235 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268328385 775405422 /nfs/dbraw/zinc/40/54/22/775405422.db2.gz XVYNIEGTCDRYPW-MRVPVSSYSA-N 2 2 269.305 -2.235 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001075643642 775425607 /nfs/dbraw/zinc/42/56/07/775425607.db2.gz GJESPICCRWEUFG-XQQFMLRXSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001075643642 775425611 /nfs/dbraw/zinc/42/56/11/775425611.db2.gz GJESPICCRWEUFG-XQQFMLRXSA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001075643642 775425621 /nfs/dbraw/zinc/42/56/21/775425621.db2.gz GJESPICCRWEUFG-XQQFMLRXSA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001075643642 775425627 /nfs/dbraw/zinc/42/56/27/775425627.db2.gz GJESPICCRWEUFG-XQQFMLRXSA-N 2 2 283.372 -1.158 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373024 775452313 /nfs/dbraw/zinc/45/23/13/775452313.db2.gz ONFAPMSIOGQQLK-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373024 775452319 /nfs/dbraw/zinc/45/23/19/775452319.db2.gz ONFAPMSIOGQQLK-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373024 775452330 /nfs/dbraw/zinc/45/23/30/775452330.db2.gz ONFAPMSIOGQQLK-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373024 775452336 /nfs/dbraw/zinc/45/23/36/775452336.db2.gz ONFAPMSIOGQQLK-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083385013 775454453 /nfs/dbraw/zinc/45/44/53/775454453.db2.gz BKHKITKYMWUFCC-AGIUHOORSA-N 2 2 283.372 -1.112 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@@H]2O)C1 ZINC001083385013 775454444 /nfs/dbraw/zinc/45/44/44/775454444.db2.gz BKHKITKYMWUFCC-AGIUHOORSA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083385013 775454457 /nfs/dbraw/zinc/45/44/57/775454457.db2.gz BKHKITKYMWUFCC-AGIUHOORSA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)C1 ZINC001083385013 775454464 /nfs/dbraw/zinc/45/44/64/775454464.db2.gz BKHKITKYMWUFCC-AGIUHOORSA-N 2 2 283.372 -1.112 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385489 775455418 /nfs/dbraw/zinc/45/54/18/775455418.db2.gz PJBAFPFBBAWOPB-GRYCIOLGSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385489 775455420 /nfs/dbraw/zinc/45/54/20/775455420.db2.gz PJBAFPFBBAWOPB-GRYCIOLGSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385489 775455423 /nfs/dbraw/zinc/45/54/23/775455423.db2.gz PJBAFPFBBAWOPB-GRYCIOLGSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385489 775455428 /nfs/dbraw/zinc/45/54/28/775455428.db2.gz PJBAFPFBBAWOPB-GRYCIOLGSA-N 2 2 287.360 -1.875 20 0 CAADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385262 775455652 /nfs/dbraw/zinc/45/56/52/775455652.db2.gz IXDMPFXXLOFDBF-GRYCIOLGSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385262 775455656 /nfs/dbraw/zinc/45/56/56/775455656.db2.gz IXDMPFXXLOFDBF-GRYCIOLGSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385262 775455659 /nfs/dbraw/zinc/45/56/59/775455659.db2.gz IXDMPFXXLOFDBF-GRYCIOLGSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385262 775455662 /nfs/dbraw/zinc/45/56/62/775455662.db2.gz IXDMPFXXLOFDBF-GRYCIOLGSA-N 2 2 271.361 -1.113 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083385549 775457057 /nfs/dbraw/zinc/45/70/57/775457057.db2.gz RFJLKINJUQSCSV-WOPDTQHZSA-N 2 2 289.351 -1.162 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@@H]2O)C1 ZINC001083385549 775457064 /nfs/dbraw/zinc/45/70/64/775457064.db2.gz RFJLKINJUQSCSV-WOPDTQHZSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)C1 ZINC001083385549 775457068 /nfs/dbraw/zinc/45/70/68/775457068.db2.gz RFJLKINJUQSCSV-WOPDTQHZSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@@H]2O)C1 ZINC001083385549 775457075 /nfs/dbraw/zinc/45/70/75/775457075.db2.gz RFJLKINJUQSCSV-WOPDTQHZSA-N 2 2 289.351 -1.162 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083385766 775457423 /nfs/dbraw/zinc/45/74/23/775457423.db2.gz YKMCXKOUBDVIGB-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083385766 775457426 /nfs/dbraw/zinc/45/74/26/775457426.db2.gz YKMCXKOUBDVIGB-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083385766 775457432 /nfs/dbraw/zinc/45/74/32/775457432.db2.gz YKMCXKOUBDVIGB-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083385766 775457435 /nfs/dbraw/zinc/45/74/35/775457435.db2.gz YKMCXKOUBDVIGB-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268667263 775465166 /nfs/dbraw/zinc/46/51/66/775465166.db2.gz KYFHJNRYAGBBCP-RKDXNWHRSA-N 2 2 293.327 -1.148 20 0 CAADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001268675765 775466941 /nfs/dbraw/zinc/46/69/41/775466941.db2.gz FSXPRUQFIPJTSN-NXEZZACHSA-N 2 2 265.317 -1.134 20 0 CAADLP CN(CCC[NH2+]CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001268964428 775481688 /nfs/dbraw/zinc/48/16/88/775481688.db2.gz QWLDPPSKPOCLPT-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP C[NH+]1CC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269095328 775489721 /nfs/dbraw/zinc/48/97/21/775489721.db2.gz QLOJEJWRQAGTSR-UHFFFAOYSA-N 2 2 257.334 -1.953 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001284459972 775500882 /nfs/dbraw/zinc/50/08/82/775500882.db2.gz NVZGUMARSCWOJX-SNVBAGLBSA-N 2 2 270.333 -1.257 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+][C@@H]1CCNC1=O ZINC001126436836 775519393 /nfs/dbraw/zinc/51/93/93/775519393.db2.gz NWVJONJUHJDXQA-SECBINFHSA-N 2 2 265.317 -1.063 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001126436768 775519461 /nfs/dbraw/zinc/51/94/61/775519461.db2.gz LDYXAJXHRRUREN-VIFPVBQESA-N 2 2 293.327 -1.147 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(N)=O ZINC001270612948 775538466 /nfs/dbraw/zinc/53/84/66/775538466.db2.gz WQUJOBOWEQDYKB-SECBINFHSA-N 2 2 253.306 -1.290 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(N)=O ZINC001270612950 775538812 /nfs/dbraw/zinc/53/88/12/775538812.db2.gz WQUJOBOWEQDYKB-VIFPVBQESA-N 2 2 253.306 -1.290 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001271191411 775592421 /nfs/dbraw/zinc/59/24/21/775592421.db2.gz DWEORJMNYNBUIN-GFCCVEGCSA-N 2 2 268.317 -1.503 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC001088506589 775642212 /nfs/dbraw/zinc/64/22/12/775642212.db2.gz BOVMAXWUVRSVHN-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC001088506589 775642194 /nfs/dbraw/zinc/64/21/94/775642194.db2.gz BOVMAXWUVRSVHN-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC001088506589 775642199 /nfs/dbraw/zinc/64/21/99/775642199.db2.gz BOVMAXWUVRSVHN-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC001088506589 775642203 /nfs/dbraw/zinc/64/22/03/775642203.db2.gz BOVMAXWUVRSVHN-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1C[NH+](C)C1 ZINC001142595938 775706998 /nfs/dbraw/zinc/70/69/98/775706998.db2.gz UCEZKPXBAFOFKL-SNVBAGLBSA-N 2 2 255.318 -1.136 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1C[NH+](C)C1 ZINC001142595938 775707007 /nfs/dbraw/zinc/70/70/07/775707007.db2.gz UCEZKPXBAFOFKL-SNVBAGLBSA-N 2 2 255.318 -1.136 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001142590997 775707963 /nfs/dbraw/zinc/70/79/63/775707963.db2.gz XHULFJIYEMCVJK-VWYCJHECSA-N 2 2 256.354 -2.154 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001142590997 775707974 /nfs/dbraw/zinc/70/79/74/775707974.db2.gz XHULFJIYEMCVJK-VWYCJHECSA-N 2 2 256.354 -2.154 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522515 775710078 /nfs/dbraw/zinc/71/00/78/775710078.db2.gz KIHKZAMSCQOCND-UTUOFQBUSA-N 2 2 294.355 -1.086 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001083522515 775710086 /nfs/dbraw/zinc/71/00/86/775710086.db2.gz KIHKZAMSCQOCND-UTUOFQBUSA-N 2 2 294.355 -1.086 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)[C@H]2NCN[C@@H]21 ZINC001142638201 775711320 /nfs/dbraw/zinc/71/13/20/775711320.db2.gz WRQUCBHNYVSDSK-IRCOFANPSA-N 2 2 280.376 -2.010 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076805558 775758755 /nfs/dbraw/zinc/75/87/55/775758755.db2.gz MHSRHEQNXTVSGU-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076805558 775758765 /nfs/dbraw/zinc/75/87/65/775758765.db2.gz MHSRHEQNXTVSGU-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001076805558 775758771 /nfs/dbraw/zinc/75/87/71/775758771.db2.gz MHSRHEQNXTVSGU-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001076805558 775758780 /nfs/dbraw/zinc/75/87/80/775758780.db2.gz MHSRHEQNXTVSGU-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805631 775759673 /nfs/dbraw/zinc/75/96/73/775759673.db2.gz ONFAPMSIOGQQLK-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805631 775759678 /nfs/dbraw/zinc/75/96/78/775759678.db2.gz ONFAPMSIOGQQLK-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805631 775759680 /nfs/dbraw/zinc/75/96/80/775759680.db2.gz ONFAPMSIOGQQLK-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805631 775759686 /nfs/dbraw/zinc/75/96/86/775759686.db2.gz ONFAPMSIOGQQLK-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838841 775763025 /nfs/dbraw/zinc/76/30/25/775763025.db2.gz OFJBQAIBOHPKPL-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838841 775763038 /nfs/dbraw/zinc/76/30/38/775763038.db2.gz OFJBQAIBOHPKPL-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838841 775763051 /nfs/dbraw/zinc/76/30/51/775763051.db2.gz OFJBQAIBOHPKPL-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838841 775763063 /nfs/dbraw/zinc/76/30/63/775763063.db2.gz OFJBQAIBOHPKPL-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001076835550 775763395 /nfs/dbraw/zinc/76/33/95/775763395.db2.gz BKHKITKYMWUFCC-UPJWGTAASA-N 2 2 283.372 -1.112 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CC3)C[C@H]2O)C1 ZINC001076835550 775763399 /nfs/dbraw/zinc/76/33/99/775763399.db2.gz BKHKITKYMWUFCC-UPJWGTAASA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)C1 ZINC001076835550 775763410 /nfs/dbraw/zinc/76/34/10/775763410.db2.gz BKHKITKYMWUFCC-UPJWGTAASA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)C1 ZINC001076835550 775763415 /nfs/dbraw/zinc/76/34/15/775763415.db2.gz BKHKITKYMWUFCC-UPJWGTAASA-N 2 2 283.372 -1.112 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001076835943 775764333 /nfs/dbraw/zinc/76/43/33/775764333.db2.gz RFJLKINJUQSCSV-UTUOFQBUSA-N 2 2 289.351 -1.162 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001076835943 775764335 /nfs/dbraw/zinc/76/43/35/775764335.db2.gz RFJLKINJUQSCSV-UTUOFQBUSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001076835943 775764339 /nfs/dbraw/zinc/76/43/39/775764339.db2.gz RFJLKINJUQSCSV-UTUOFQBUSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001076835943 775764341 /nfs/dbraw/zinc/76/43/41/775764341.db2.gz RFJLKINJUQSCSV-UTUOFQBUSA-N 2 2 289.351 -1.162 20 0 CAADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838791 775764841 /nfs/dbraw/zinc/76/48/41/775764841.db2.gz MRGSXZSYFAFJBV-GMTAPVOTSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838791 775764845 /nfs/dbraw/zinc/76/48/45/775764845.db2.gz MRGSXZSYFAFJBV-GMTAPVOTSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838791 775764856 /nfs/dbraw/zinc/76/48/56/775764856.db2.gz MRGSXZSYFAFJBV-GMTAPVOTSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838791 775764859 /nfs/dbraw/zinc/76/48/59/775764859.db2.gz MRGSXZSYFAFJBV-GMTAPVOTSA-N 2 2 257.334 -1.502 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260612 775809816 /nfs/dbraw/zinc/80/98/16/775809816.db2.gz NRJWYMNRLWPEBP-CYZMBNFOSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077260612 775809827 /nfs/dbraw/zinc/80/98/27/775809827.db2.gz NRJWYMNRLWPEBP-CYZMBNFOSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580145 775825650 /nfs/dbraw/zinc/82/56/50/775825650.db2.gz SPBGUVFSLJSSPY-RTXFEEFZSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001083580145 775825668 /nfs/dbraw/zinc/82/56/68/775825668.db2.gz SPBGUVFSLJSSPY-RTXFEEFZSA-N 2 2 294.355 -1.401 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083645225 775842697 /nfs/dbraw/zinc/84/26/97/775842697.db2.gz QLKUOAXUAYJZAQ-MNOVXSKESA-N 2 2 268.317 -1.655 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083645225 775842705 /nfs/dbraw/zinc/84/27/05/775842705.db2.gz QLKUOAXUAYJZAQ-MNOVXSKESA-N 2 2 268.317 -1.655 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001120546801 775880052 /nfs/dbraw/zinc/88/00/52/775880052.db2.gz WLUSTOOJBSRGQE-GDNZZTSVSA-N 3 2 267.377 -1.074 20 0 CAADLP C[C@H](O)C[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001272322596 775893153 /nfs/dbraw/zinc/89/31/53/775893153.db2.gz STOYYFNWCISHKD-NSHDSACASA-N 2 2 270.333 -1.326 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001272552039 775932078 /nfs/dbraw/zinc/93/20/78/775932078.db2.gz AJGAIULZCSXJBI-ZETCQYMHSA-N 2 2 255.278 -2.496 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001272555808 775934267 /nfs/dbraw/zinc/93/42/67/775934267.db2.gz UVLGZPVXDYTBKD-XQQFMLRXSA-N 2 2 282.388 -1.226 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001272555808 775934275 /nfs/dbraw/zinc/93/42/75/775934275.db2.gz UVLGZPVXDYTBKD-XQQFMLRXSA-N 2 2 282.388 -1.226 20 0 CAADLP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001272555808 775934285 /nfs/dbraw/zinc/93/42/85/775934285.db2.gz UVLGZPVXDYTBKD-XQQFMLRXSA-N 2 2 282.388 -1.226 20 0 CAADLP CN1CC[NH+](C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001272555808 775934297 /nfs/dbraw/zinc/93/42/97/775934297.db2.gz UVLGZPVXDYTBKD-XQQFMLRXSA-N 2 2 282.388 -1.226 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124837834 776014157 /nfs/dbraw/zinc/01/41/57/776014157.db2.gz PJISECDAIIYMML-VIFPVBQESA-N 2 2 267.337 -1.490 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124837834 776014165 /nfs/dbraw/zinc/01/41/65/776014165.db2.gz PJISECDAIIYMML-VIFPVBQESA-N 2 2 267.337 -1.490 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124837660 776014304 /nfs/dbraw/zinc/01/43/04/776014304.db2.gz PJISECDAIIYMML-SECBINFHSA-N 2 2 267.337 -1.490 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124837660 776014308 /nfs/dbraw/zinc/01/43/08/776014308.db2.gz PJISECDAIIYMML-SECBINFHSA-N 2 2 267.337 -1.490 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1nncn1C ZINC001125220472 776029289 /nfs/dbraw/zinc/02/92/89/776029289.db2.gz HXOGVQANEXITGD-MNOVXSKESA-N 2 2 296.375 -1.088 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nncn1C ZINC001125220472 776029293 /nfs/dbraw/zinc/02/92/93/776029293.db2.gz HXOGVQANEXITGD-MNOVXSKESA-N 2 2 296.375 -1.088 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1nncn1C ZINC001125220477 776030310 /nfs/dbraw/zinc/03/03/10/776030310.db2.gz HXOGVQANEXITGD-WDEREUQCSA-N 2 2 296.375 -1.088 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1nncn1C ZINC001125220477 776030316 /nfs/dbraw/zinc/03/03/16/776030316.db2.gz HXOGVQANEXITGD-WDEREUQCSA-N 2 2 296.375 -1.088 20 0 CAADLP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001125220318 776031120 /nfs/dbraw/zinc/03/11/20/776031120.db2.gz GMUDFIJJFKBGIC-LLVKDONJSA-N 2 2 282.348 -1.649 20 0 CAADLP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001125220318 776031127 /nfs/dbraw/zinc/03/11/27/776031127.db2.gz GMUDFIJJFKBGIC-LLVKDONJSA-N 2 2 282.348 -1.649 20 0 CAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083783071 776034927 /nfs/dbraw/zinc/03/49/27/776034927.db2.gz YRLKAVSMBCFUPT-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083783071 776034933 /nfs/dbraw/zinc/03/49/33/776034933.db2.gz YRLKAVSMBCFUPT-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083783071 776034938 /nfs/dbraw/zinc/03/49/38/776034938.db2.gz YRLKAVSMBCFUPT-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083783071 776034943 /nfs/dbraw/zinc/03/49/43/776034943.db2.gz YRLKAVSMBCFUPT-NEPJUHHUSA-N 2 2 285.388 -1.128 20 0 CAADLP CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238839856 776041849 /nfs/dbraw/zinc/04/18/49/776041849.db2.gz LTCABITUPVVYGO-HTQZYQBOSA-N 2 2 265.335 -1.842 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077690875 776060766 /nfs/dbraw/zinc/06/07/66/776060766.db2.gz CICJTIQCGLWKFS-PRULPYPASA-N 2 2 294.355 -1.323 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077690875 776060773 /nfs/dbraw/zinc/06/07/73/776060773.db2.gz CICJTIQCGLWKFS-PRULPYPASA-N 2 2 294.355 -1.323 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007602 776112255 /nfs/dbraw/zinc/11/22/55/776112255.db2.gz VIQMQWIVUKPYIW-VXGBXAGGSA-N 2 2 282.344 -1.230 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007602 776112262 /nfs/dbraw/zinc/11/22/62/776112262.db2.gz VIQMQWIVUKPYIW-VXGBXAGGSA-N 2 2 282.344 -1.230 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078083636 776116201 /nfs/dbraw/zinc/11/62/01/776116201.db2.gz YVVLDBDDMHZGOL-GHMZBOCLSA-N 2 2 268.317 -1.586 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078083636 776116210 /nfs/dbraw/zinc/11/62/10/776116210.db2.gz YVVLDBDDMHZGOL-GHMZBOCLSA-N 2 2 268.317 -1.586 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001078081342 776116802 /nfs/dbraw/zinc/11/68/02/776116802.db2.gz VAKYSHYVHMSQGQ-GGZOMVNGSA-N 2 2 282.344 -1.197 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001078081342 776116806 /nfs/dbraw/zinc/11/68/06/776116806.db2.gz VAKYSHYVHMSQGQ-GGZOMVNGSA-N 2 2 282.344 -1.197 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078180263 776129596 /nfs/dbraw/zinc/12/95/96/776129596.db2.gz UVNCDLLDDYERJF-VXGBXAGGSA-N 2 2 271.361 -1.374 20 0 CAADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078180263 776129604 /nfs/dbraw/zinc/12/96/04/776129604.db2.gz UVNCDLLDDYERJF-VXGBXAGGSA-N 2 2 271.361 -1.374 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182171 776132321 /nfs/dbraw/zinc/13/23/21/776132321.db2.gz IXIRWZJFNVGINZ-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182171 776132325 /nfs/dbraw/zinc/13/23/25/776132325.db2.gz IXIRWZJFNVGINZ-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(OC)n1 ZINC001168737181 776188407 /nfs/dbraw/zinc/18/84/07/776188407.db2.gz XEEGAOFTQBNXQK-UHFFFAOYSA-N 2 2 281.320 -1.095 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001168755983 776234506 /nfs/dbraw/zinc/23/45/06/776234506.db2.gz IZXRJNXMEWNVDG-UHFFFAOYSA-N 2 2 276.304 -1.369 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1nccnc1N1CC[NH2+]CC1 ZINC001168756774 776236514 /nfs/dbraw/zinc/23/65/14/776236514.db2.gz QZVIZFIMAFDEIY-UHFFFAOYSA-N 2 2 276.304 -1.369 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001168761306 776247249 /nfs/dbraw/zinc/24/72/49/776247249.db2.gz PHYJUWAQOLLSLD-QMMMGPOBSA-N 2 2 277.288 -1.038 20 0 CAADLP C[NH+]1CCN(c2ncc(-n3[nH]c(=O)nc3C[NH3+])cn2)CC1 ZINC001168761206 776248100 /nfs/dbraw/zinc/24/81/00/776248100.db2.gz MITAJIMGTDYJOR-UHFFFAOYSA-N 2 2 290.331 -1.027 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001168761303 776248411 /nfs/dbraw/zinc/24/84/11/776248411.db2.gz PHYJUWAQOLLSLD-MRVPVSSYSA-N 2 2 277.288 -1.038 20 0 CAADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528030 776305039 /nfs/dbraw/zinc/30/50/39/776305039.db2.gz QGZZVGLJWMYBGI-UTUOFQBUSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079528030 776305049 /nfs/dbraw/zinc/30/50/49/776305049.db2.gz QGZZVGLJWMYBGI-UTUOFQBUSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079528030 776305057 /nfs/dbraw/zinc/30/50/57/776305057.db2.gz QGZZVGLJWMYBGI-UTUOFQBUSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079528030 776305069 /nfs/dbraw/zinc/30/50/69/776305069.db2.gz QGZZVGLJWMYBGI-UTUOFQBUSA-N 2 2 271.361 -1.254 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081448716 776370526 /nfs/dbraw/zinc/37/05/26/776370526.db2.gz QHFKHODKPFQBAT-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081448716 776370537 /nfs/dbraw/zinc/37/05/37/776370537.db2.gz QHFKHODKPFQBAT-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081448716 776370551 /nfs/dbraw/zinc/37/05/51/776370551.db2.gz QHFKHODKPFQBAT-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081448716 776370561 /nfs/dbraw/zinc/37/05/61/776370561.db2.gz QHFKHODKPFQBAT-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949404 776398681 /nfs/dbraw/zinc/39/86/81/776398681.db2.gz NIWVUMPQIPTTHW-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001081949404 776398692 /nfs/dbraw/zinc/39/86/92/776398692.db2.gz NIWVUMPQIPTTHW-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395275 776413993 /nfs/dbraw/zinc/41/39/93/776413993.db2.gz LNYAFHSKKCQGOH-GHMZBOCLSA-N 2 2 268.317 -1.309 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395275 776414001 /nfs/dbraw/zinc/41/40/01/776414001.db2.gz LNYAFHSKKCQGOH-GHMZBOCLSA-N 2 2 268.317 -1.309 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083023805 776429546 /nfs/dbraw/zinc/42/95/46/776429546.db2.gz PRAOPPQCSSRXCG-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083023805 776429550 /nfs/dbraw/zinc/42/95/50/776429550.db2.gz PRAOPPQCSSRXCG-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083023805 776429557 /nfs/dbraw/zinc/42/95/57/776429557.db2.gz PRAOPPQCSSRXCG-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083023805 776429562 /nfs/dbraw/zinc/42/95/62/776429562.db2.gz PRAOPPQCSSRXCG-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954337 776437565 /nfs/dbraw/zinc/43/75/65/776437565.db2.gz VIQMQWIVUKPYIW-NEPJUHHUSA-N 2 2 282.344 -1.230 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954337 776437570 /nfs/dbraw/zinc/43/75/70/776437570.db2.gz VIQMQWIVUKPYIW-NEPJUHHUSA-N 2 2 282.344 -1.230 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083962198 776438847 /nfs/dbraw/zinc/43/88/47/776438847.db2.gz ZYPLDCBCUJPDJI-YPMHNXCESA-N 2 2 294.355 -1.085 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083962198 776438853 /nfs/dbraw/zinc/43/88/53/776438853.db2.gz ZYPLDCBCUJPDJI-YPMHNXCESA-N 2 2 294.355 -1.085 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001083998117 776439663 /nfs/dbraw/zinc/43/96/63/776439663.db2.gz VAKYSHYVHMSQGQ-AXTRIDKLSA-N 2 2 282.344 -1.197 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083998117 776439664 /nfs/dbraw/zinc/43/96/64/776439664.db2.gz VAKYSHYVHMSQGQ-AXTRIDKLSA-N 2 2 282.344 -1.197 20 0 CAADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078635 776443680 /nfs/dbraw/zinc/44/36/80/776443680.db2.gz BETIWNMTJIAHMI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078635 776443683 /nfs/dbraw/zinc/44/36/83/776443683.db2.gz BETIWNMTJIAHMI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078635 776443685 /nfs/dbraw/zinc/44/36/85/776443685.db2.gz BETIWNMTJIAHMI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078635 776443687 /nfs/dbraw/zinc/44/36/87/776443687.db2.gz BETIWNMTJIAHMI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001084078696 776443780 /nfs/dbraw/zinc/44/37/80/776443780.db2.gz DVJPTBXVAQVSQE-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001084078696 776443784 /nfs/dbraw/zinc/44/37/84/776443784.db2.gz DVJPTBXVAQVSQE-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001084078696 776443786 /nfs/dbraw/zinc/44/37/86/776443786.db2.gz DVJPTBXVAQVSQE-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001084078696 776443789 /nfs/dbraw/zinc/44/37/89/776443789.db2.gz DVJPTBXVAQVSQE-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001084078695 776443948 /nfs/dbraw/zinc/44/39/48/776443948.db2.gz DVJPTBXVAQVSQE-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001084078695 776443952 /nfs/dbraw/zinc/44/39/52/776443952.db2.gz DVJPTBXVAQVSQE-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001084078695 776443956 /nfs/dbraw/zinc/44/39/56/776443956.db2.gz DVJPTBXVAQVSQE-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001084078695 776443959 /nfs/dbraw/zinc/44/39/59/776443959.db2.gz DVJPTBXVAQVSQE-GRYCIOLGSA-N 2 2 287.360 -2.139 20 0 CAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053166 776444275 /nfs/dbraw/zinc/44/42/75/776444275.db2.gz UVRYWYBDYCLKMJ-UTUOFQBUSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053166 776444279 /nfs/dbraw/zinc/44/42/79/776444279.db2.gz UVRYWYBDYCLKMJ-UTUOFQBUSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053166 776444285 /nfs/dbraw/zinc/44/42/85/776444285.db2.gz UVRYWYBDYCLKMJ-UTUOFQBUSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053166 776444290 /nfs/dbraw/zinc/44/42/90/776444290.db2.gz UVRYWYBDYCLKMJ-UTUOFQBUSA-N 2 2 298.387 -1.812 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057715 776445674 /nfs/dbraw/zinc/44/56/74/776445674.db2.gz YUIKAXKKYKQQBN-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057715 776445681 /nfs/dbraw/zinc/44/56/81/776445681.db2.gz YUIKAXKKYKQQBN-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP O=C(CCN1CC[NH2+]CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001119619246 776460507 /nfs/dbraw/zinc/46/05/07/776460507.db2.gz XBNIFCQOFKBZGA-UHFFFAOYSA-N 3 2 269.393 -1.697 20 0 CAADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531592 776487248 /nfs/dbraw/zinc/48/72/48/776487248.db2.gz WBPVNJSGVLUGAO-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531592 776487249 /nfs/dbraw/zinc/48/72/49/776487249.db2.gz WBPVNJSGVLUGAO-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531592 776487250 /nfs/dbraw/zinc/48/72/50/776487250.db2.gz WBPVNJSGVLUGAO-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@H]1CC[NH+]1CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531592 776487251 /nfs/dbraw/zinc/48/72/51/776487251.db2.gz WBPVNJSGVLUGAO-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000828578014 776488447 /nfs/dbraw/zinc/48/84/47/776488447.db2.gz WAWPAZHFFMLJBR-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000828578014 776488449 /nfs/dbraw/zinc/48/84/49/776488449.db2.gz WAWPAZHFFMLJBR-AVGNSLFASA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099986086 776490591 /nfs/dbraw/zinc/49/05/91/776490591.db2.gz HUJQINYECMHQTF-ZJUUUORDSA-N 2 2 272.349 -2.025 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099986086 776490598 /nfs/dbraw/zinc/49/05/98/776490598.db2.gz HUJQINYECMHQTF-ZJUUUORDSA-N 2 2 272.349 -2.025 20 0 CAADLP C[NH+]1CCN(c2ncc(-n3nnnc3C[NH3+])cn2)CC1 ZINC001168919954 776517941 /nfs/dbraw/zinc/51/79/41/776517941.db2.gz DMMDYGTXNMUIND-UHFFFAOYSA-N 2 2 275.320 -1.337 20 0 CAADLP C[NH+]1CCN(c2cc(-n3nnnc3C[NH3+])ncn2)CC1 ZINC001168919005 776518259 /nfs/dbraw/zinc/51/82/59/776518259.db2.gz QGRCGPPZCPMLBH-UHFFFAOYSA-N 2 2 275.320 -1.337 20 0 CAADLP C[NH+]1CCN(c2nccnc2-n2nnnc2C[NH3+])CC1 ZINC001168920590 776518845 /nfs/dbraw/zinc/51/88/45/776518845.db2.gz IZQDIMURNKAPDF-UHFFFAOYSA-N 2 2 275.320 -1.337 20 0 CAADLP CS(=O)(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169067617 776519651 /nfs/dbraw/zinc/51/96/51/776519651.db2.gz UMQNMSPZQPNMQM-MRVPVSSYSA-N 2 2 297.340 -1.072 20 0 CAADLP NC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169066748 776520079 /nfs/dbraw/zinc/52/00/79/776520079.db2.gz HWURHHVJURMLSB-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001169203851 776521133 /nfs/dbraw/zinc/52/11/33/776521133.db2.gz CKHBDNIEAMDTRI-VIFPVBQESA-N 2 2 293.327 -1.147 20 0 CAADLP CS(=O)(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169071372 776521648 /nfs/dbraw/zinc/52/16/48/776521648.db2.gz AHPCDGYKWRSHHJ-MRVPVSSYSA-N 2 2 297.340 -1.072 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001169204795 776523286 /nfs/dbraw/zinc/52/32/86/776523286.db2.gz QTCNDOQYWVAQAV-SECBINFHSA-N 2 2 265.317 -1.063 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001169205292 776523368 /nfs/dbraw/zinc/52/33/68/776523368.db2.gz XHNZSVDIZQLRHJ-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001169204796 776523922 /nfs/dbraw/zinc/52/39/22/776523922.db2.gz QTCNDOQYWVAQAV-VIFPVBQESA-N 2 2 265.317 -1.063 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)nc1=O ZINC001129351591 776539982 /nfs/dbraw/zinc/53/99/82/776539982.db2.gz LFPYGVUWYLAKNS-UHFFFAOYSA-N 2 2 296.375 -1.202 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129352088 776540038 /nfs/dbraw/zinc/54/00/38/776540038.db2.gz VDZQOPSDGVOAAT-UHFFFAOYSA-N 2 2 281.364 -1.100 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100132382 776551855 /nfs/dbraw/zinc/55/18/55/776551855.db2.gz SLEWZWXHZNTLLC-WDEREUQCSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100132382 776551862 /nfs/dbraw/zinc/55/18/62/776551862.db2.gz SLEWZWXHZNTLLC-WDEREUQCSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100132382 776551868 /nfs/dbraw/zinc/55/18/68/776551868.db2.gz SLEWZWXHZNTLLC-WDEREUQCSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100132382 776551878 /nfs/dbraw/zinc/55/18/78/776551878.db2.gz SLEWZWXHZNTLLC-WDEREUQCSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100132379 776552260 /nfs/dbraw/zinc/55/22/60/776552260.db2.gz SLEWZWXHZNTLLC-GHMZBOCLSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100132379 776552269 /nfs/dbraw/zinc/55/22/69/776552269.db2.gz SLEWZWXHZNTLLC-GHMZBOCLSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100132379 776552279 /nfs/dbraw/zinc/55/22/79/776552279.db2.gz SLEWZWXHZNTLLC-GHMZBOCLSA-N 2 2 286.376 -1.637 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100132379 776552286 /nfs/dbraw/zinc/55/22/86/776552286.db2.gz SLEWZWXHZNTLLC-GHMZBOCLSA-N 2 2 286.376 -1.637 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090432074 776553548 /nfs/dbraw/zinc/55/35/48/776553548.db2.gz HWMIEQJCWMGBBO-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090432074 776553557 /nfs/dbraw/zinc/55/35/57/776553557.db2.gz HWMIEQJCWMGBBO-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090432076 776554150 /nfs/dbraw/zinc/55/41/50/776554150.db2.gz HWMIEQJCWMGBBO-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090432076 776554153 /nfs/dbraw/zinc/55/41/53/776554153.db2.gz HWMIEQJCWMGBBO-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H](O)C[NH3+] ZINC001157082330 776554982 /nfs/dbraw/zinc/55/49/82/776554982.db2.gz LFFQHJYZTJRSQV-UWVGGRQHSA-N 2 2 284.316 -1.290 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H](O)C[NH3+] ZINC001157082330 776554990 /nfs/dbraw/zinc/55/49/90/776554990.db2.gz LFFQHJYZTJRSQV-UWVGGRQHSA-N 2 2 284.316 -1.290 20 0 CAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](C)CC1 ZINC001157450679 776577485 /nfs/dbraw/zinc/57/74/85/776577485.db2.gz GBDWYNSTGPHREV-IUCAKERBSA-N 2 2 285.348 -2.532 20 0 CAADLP O=C(N1CC(N2CC(F)C2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157525394 776583772 /nfs/dbraw/zinc/58/37/72/776583772.db2.gz BEHZCKVQAJLVDU-ZANVPECISA-N 2 2 268.336 -1.198 20 0 CAADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157716527 776599902 /nfs/dbraw/zinc/59/99/02/776599902.db2.gz PAYJUEABDNUZIC-WHOHXGKFSA-N 3 2 268.361 -1.617 20 0 CAADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157844108 776619503 /nfs/dbraw/zinc/61/95/03/776619503.db2.gz VCWATEXZUYWYMC-HLTSFMKQSA-N 2 2 267.337 -1.345 20 0 CAADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157844109 776619922 /nfs/dbraw/zinc/61/99/22/776619922.db2.gz VCWATEXZUYWYMC-VGMNWLOBSA-N 2 2 267.337 -1.345 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436980 776620926 /nfs/dbraw/zinc/62/09/26/776620926.db2.gz UKHGJVBXNKPQIW-NSHDSACASA-N 2 2 281.364 -1.244 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)nc1=O ZINC001129526440 776621292 /nfs/dbraw/zinc/62/12/92/776621292.db2.gz HHFNBDDWVKGBTJ-UHFFFAOYSA-N 2 2 296.375 -1.202 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)nc1=O ZINC001129526440 776621309 /nfs/dbraw/zinc/62/13/09/776621309.db2.gz HHFNBDDWVKGBTJ-UHFFFAOYSA-N 2 2 296.375 -1.202 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CCCNC(=O)C1 ZINC001157888466 776631162 /nfs/dbraw/zinc/63/11/62/776631162.db2.gz DFNCXAZMABJEDH-NSHDSACASA-N 2 2 283.376 -1.915 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157903278 776640527 /nfs/dbraw/zinc/64/05/27/776640527.db2.gz FCBHPNKOOGNLPT-FBIMIBRVSA-N 2 2 268.317 -1.519 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)O1 ZINC001130182876 776644122 /nfs/dbraw/zinc/64/41/22/776644122.db2.gz YOCXRMRKPRLUPK-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)O1 ZINC001130182876 776644130 /nfs/dbraw/zinc/64/41/30/776644130.db2.gz YOCXRMRKPRLUPK-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnon2)O1 ZINC001130182907 776644966 /nfs/dbraw/zinc/64/49/66/776644966.db2.gz ZIVXLZBUKVNVCI-MWLCHTKSSA-N 2 2 283.332 -1.006 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnon2)O1 ZINC001130182907 776644969 /nfs/dbraw/zinc/64/49/69/776644969.db2.gz ZIVXLZBUKVNVCI-MWLCHTKSSA-N 2 2 283.332 -1.006 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)O1 ZINC001130186279 776645099 /nfs/dbraw/zinc/64/50/99/776645099.db2.gz FADVSVHXMXAWOX-NXEZZACHSA-N 2 2 297.363 -1.865 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)O1 ZINC001130186279 776645106 /nfs/dbraw/zinc/64/51/06/776645106.db2.gz FADVSVHXMXAWOX-NXEZZACHSA-N 2 2 297.363 -1.865 20 0 CAADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001130197278 776645196 /nfs/dbraw/zinc/64/51/96/776645196.db2.gz GFQCYYGZGRMCHT-SECBINFHSA-N 2 2 284.364 -1.346 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nncn2C)O1 ZINC001130187160 776645392 /nfs/dbraw/zinc/64/53/92/776645392.db2.gz QFUOXNJMLQPRON-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nncn2C)O1 ZINC001130187160 776645396 /nfs/dbraw/zinc/64/53/96/776645396.db2.gz QFUOXNJMLQPRON-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934984 776648085 /nfs/dbraw/zinc/64/80/85/776648085.db2.gz PUTPVNUKPMWSPU-RNWYCLNJSA-N 2 2 269.345 -1.862 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297789 776648385 /nfs/dbraw/zinc/64/83/85/776648385.db2.gz RQIAVGWUXIZQFB-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297789 776648391 /nfs/dbraw/zinc/64/83/91/776648391.db2.gz RQIAVGWUXIZQFB-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)nc1=O ZINC001130298212 776648799 /nfs/dbraw/zinc/64/87/99/776648799.db2.gz YIYYTSZSKCDYQK-SNVBAGLBSA-N 2 2 296.375 -1.202 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)nc1=O ZINC001130298212 776648805 /nfs/dbraw/zinc/64/88/05/776648805.db2.gz YIYYTSZSKCDYQK-SNVBAGLBSA-N 2 2 296.375 -1.202 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934995 776648914 /nfs/dbraw/zinc/64/89/14/776648914.db2.gz PZRBWCNVCAJGCJ-LSJOCFKGSA-N 2 2 268.317 -1.519 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[C@H]1O ZINC001157945249 776651491 /nfs/dbraw/zinc/65/14/91/776651491.db2.gz LBVJOTZOLJBDBE-KLBPJQLPSA-N 2 2 257.334 -1.733 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001157946460 776653257 /nfs/dbraw/zinc/65/32/57/776653257.db2.gz NIGQLMCKQJJZFW-GVXVVHGQSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001157946462 776653322 /nfs/dbraw/zinc/65/33/22/776653322.db2.gz NIGQLMCKQJJZFW-NQBHXWOUSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1O ZINC001157946967 776653483 /nfs/dbraw/zinc/65/34/83/776653483.db2.gz QCEPPFSNYJWTRI-FQEAEBOJSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001157946458 776653540 /nfs/dbraw/zinc/65/35/40/776653540.db2.gz NIGQLMCKQJJZFW-DMDPSCGWSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1O ZINC001157946461 776653654 /nfs/dbraw/zinc/65/36/54/776653654.db2.gz NIGQLMCKQJJZFW-LOWVWBTDSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[C@@H]1O ZINC001157945251 776653688 /nfs/dbraw/zinc/65/36/88/776653688.db2.gz LBVJOTZOLJBDBE-WDCWCFNPSA-N 2 2 257.334 -1.733 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[C@H]1O ZINC001157946888 776654560 /nfs/dbraw/zinc/65/45/60/776654560.db2.gz PFYBPWBAZBMGPK-ROEYZRMQSA-N 2 2 283.372 -1.472 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488599 776657233 /nfs/dbraw/zinc/65/72/33/776657233.db2.gz SEQVCSJFJMOYNM-SECBINFHSA-N 2 2 265.317 -1.363 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481628 776657594 /nfs/dbraw/zinc/65/75/94/776657594.db2.gz XUGQTQGZVZJOLT-JTQLQIEISA-N 2 2 279.344 -1.103 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130480720 776657874 /nfs/dbraw/zinc/65/78/74/776657874.db2.gz AZOUPCZZDUYRQN-SECBINFHSA-N 2 2 265.317 -1.363 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157998917 776661096 /nfs/dbraw/zinc/66/10/96/776661096.db2.gz KMGVLRZQRDJHJG-ZWNOBZJWSA-N 2 2 284.360 -1.569 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001158006638 776662129 /nfs/dbraw/zinc/66/21/29/776662129.db2.gz LWEYKTSQAMTYHQ-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001158006640 776662266 /nfs/dbraw/zinc/66/22/66/776662266.db2.gz LWEYKTSQAMTYHQ-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+][C@H]2CCNC2=O)no1 ZINC001130645463 776665197 /nfs/dbraw/zinc/66/51/97/776665197.db2.gz LPOSSWPWKIZDJK-JTQLQIEISA-N 2 2 295.343 -1.056 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001131376891 776689242 /nfs/dbraw/zinc/68/92/42/776689242.db2.gz BJJZHIXLXCADIZ-UHFFFAOYSA-N 2 2 278.320 -1.379 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001131380268 776690950 /nfs/dbraw/zinc/69/09/50/776690950.db2.gz INRJKOJOAZSRJG-UHFFFAOYSA-N 2 2 293.331 -1.481 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001131639811 776697051 /nfs/dbraw/zinc/69/70/51/776697051.db2.gz OWCBTHCXTHZXFD-SNVBAGLBSA-N 2 2 279.344 -1.053 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131640085 776697193 /nfs/dbraw/zinc/69/71/93/776697193.db2.gz XAJSTFWJBBIXTE-UHFFFAOYSA-N 2 2 267.333 -1.196 20 0 CAADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001131822881 776703388 /nfs/dbraw/zinc/70/33/88/776703388.db2.gz WWBZAMWLGFPNPK-LLVKDONJSA-N 2 2 286.376 -1.322 20 0 CAADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001131822881 776703397 /nfs/dbraw/zinc/70/33/97/776703397.db2.gz WWBZAMWLGFPNPK-LLVKDONJSA-N 2 2 286.376 -1.322 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001132085251 776712381 /nfs/dbraw/zinc/71/23/81/776712381.db2.gz PPXDOSQXZDYFEP-SECBINFHSA-N 2 2 296.331 -1.438 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001132080007 776712692 /nfs/dbraw/zinc/71/26/92/776712692.db2.gz XALUICIMBPVRHT-VIFPVBQESA-N 2 2 253.306 -1.147 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079939 776713380 /nfs/dbraw/zinc/71/33/80/776713380.db2.gz UDGCXRAXYHWBEI-UHFFFAOYSA-N 2 2 296.331 -1.565 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1 ZINC001158546789 776713550 /nfs/dbraw/zinc/71/35/50/776713550.db2.gz MBMHCCIVJWDRLC-BYNIDDHOSA-N 3 2 280.372 -1.345 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784289 776751410 /nfs/dbraw/zinc/75/14/10/776751410.db2.gz OSBRBKPJXILVTE-LBPRGKRZSA-N 2 2 298.387 -1.179 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784289 776751415 /nfs/dbraw/zinc/75/14/15/776751415.db2.gz OSBRBKPJXILVTE-LBPRGKRZSA-N 2 2 298.387 -1.179 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)nc1=O ZINC001132993422 776756689 /nfs/dbraw/zinc/75/66/89/776756689.db2.gz SZOLBPCLQQZAQU-UHFFFAOYSA-N 2 2 296.375 -1.344 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)CC[NH+](C)C)nc1=O ZINC001133294319 776776559 /nfs/dbraw/zinc/77/65/59/776776559.db2.gz CECOGAWWHYYHSH-UHFFFAOYSA-N 2 2 270.337 -1.734 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001133853295 776789231 /nfs/dbraw/zinc/78/92/31/776789231.db2.gz IFZZVSNFQXXGRH-SNVBAGLBSA-N 2 2 281.364 -1.242 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001133853295 776789239 /nfs/dbraw/zinc/78/92/39/776789239.db2.gz IFZZVSNFQXXGRH-SNVBAGLBSA-N 2 2 281.364 -1.242 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001133853902 776790514 /nfs/dbraw/zinc/79/05/14/776790514.db2.gz SUTAPLWYCZDLNX-JTQLQIEISA-N 2 2 296.375 -1.344 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001133853902 776790522 /nfs/dbraw/zinc/79/05/22/776790522.db2.gz SUTAPLWYCZDLNX-JTQLQIEISA-N 2 2 296.375 -1.344 20 0 CAADLP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001133832015 776790555 /nfs/dbraw/zinc/79/05/55/776790555.db2.gz ZVFQUEJEHNFSNJ-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001133832015 776790558 /nfs/dbraw/zinc/79/05/58/776790558.db2.gz ZVFQUEJEHNFSNJ-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001133853903 776790967 /nfs/dbraw/zinc/79/09/67/776790967.db2.gz SUTAPLWYCZDLNX-SNVBAGLBSA-N 2 2 296.375 -1.344 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001133853903 776790974 /nfs/dbraw/zinc/79/09/74/776790974.db2.gz SUTAPLWYCZDLNX-SNVBAGLBSA-N 2 2 296.375 -1.344 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866521 776792101 /nfs/dbraw/zinc/79/21/01/776792101.db2.gz MJHORKQAHLGGEK-ZJUUUORDSA-N 2 2 296.375 -1.488 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866521 776792108 /nfs/dbraw/zinc/79/21/08/776792108.db2.gz MJHORKQAHLGGEK-ZJUUUORDSA-N 2 2 296.375 -1.488 20 0 CAADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866520 776793105 /nfs/dbraw/zinc/79/31/05/776793105.db2.gz MJHORKQAHLGGEK-VHSXEESVSA-N 2 2 296.375 -1.488 20 0 CAADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866520 776793108 /nfs/dbraw/zinc/79/31/08/776793108.db2.gz MJHORKQAHLGGEK-VHSXEESVSA-N 2 2 296.375 -1.488 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001134400726 776813469 /nfs/dbraw/zinc/81/34/69/776813469.db2.gz PFGHGBBDMAJKOM-LBPRGKRZSA-N 2 2 292.343 -1.084 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406855 776814676 /nfs/dbraw/zinc/81/46/76/776814676.db2.gz FFFNBQSWPJTURY-UHFFFAOYSA-N 2 2 282.304 -1.886 20 0 CAADLP CC(=O)NCCOCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396660 776815185 /nfs/dbraw/zinc/81/51/85/776815185.db2.gz CCHQVAZUOOWPJC-UHFFFAOYSA-N 2 2 297.359 -1.189 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCn1cncn1 ZINC001134396849 776815849 /nfs/dbraw/zinc/81/58/49/776815849.db2.gz GCWJDSWSQRWKIA-UHFFFAOYSA-N 2 2 263.305 -1.050 20 0 CAADLP COCCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407061 776816114 /nfs/dbraw/zinc/81/61/14/776816114.db2.gz PEGNADPTUQEOAL-UHFFFAOYSA-N 2 2 297.359 -1.189 20 0 CAADLP CCOCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407186 776816437 /nfs/dbraw/zinc/81/64/37/776816437.db2.gz VFPSEHGONUVSCH-UHFFFAOYSA-N 2 2 297.359 -1.189 20 0 CAADLP CS(=O)(=O)CC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407031 776816557 /nfs/dbraw/zinc/81/65/57/776816557.db2.gz NHMOPWKWTQJRPP-UHFFFAOYSA-N 2 2 274.346 -1.297 20 0 CAADLP C[C@H](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)n1cc[nH+]c1 ZINC001134499235 776819451 /nfs/dbraw/zinc/81/94/51/776819451.db2.gz ZFAYRXCVYDVBNR-SECBINFHSA-N 2 2 296.331 -1.265 20 0 CAADLP C[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)n1cc[nH+]c1 ZINC001134499236 776820029 /nfs/dbraw/zinc/82/00/29/776820029.db2.gz ZFAYRXCVYDVBNR-VIFPVBQESA-N 2 2 296.331 -1.265 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(N)=O ZINC001135080362 776836282 /nfs/dbraw/zinc/83/62/82/776836282.db2.gz RMUZQNLFOJVAQD-MRVPVSSYSA-N 2 2 253.306 -1.221 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135080640 776837298 /nfs/dbraw/zinc/83/72/98/776837298.db2.gz YUULWCDYZOLCAV-MRVPVSSYSA-N 2 2 296.331 -1.511 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118219110 779554704 /nfs/dbraw/zinc/55/47/04/779554704.db2.gz POJDQTLEHYZMEG-NXEZZACHSA-N 2 2 256.350 -1.092 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118219110 779554714 /nfs/dbraw/zinc/55/47/14/779554714.db2.gz POJDQTLEHYZMEG-NXEZZACHSA-N 2 2 256.350 -1.092 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118219113 779555061 /nfs/dbraw/zinc/55/50/61/779555061.db2.gz POJDQTLEHYZMEG-ZJUUUORDSA-N 2 2 256.350 -1.092 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118219113 779555065 /nfs/dbraw/zinc/55/50/65/779555065.db2.gz POJDQTLEHYZMEG-ZJUUUORDSA-N 2 2 256.350 -1.092 20 0 CAADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001118263709 779558274 /nfs/dbraw/zinc/55/82/74/779558274.db2.gz LIGNVSDMWLGQRW-CYBMUJFWSA-N 3 2 281.404 -1.602 20 0 CAADLP CC1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C[NH2+]C1 ZINC001118286452 779560180 /nfs/dbraw/zinc/56/01/80/779560180.db2.gz FLFHUSKPXJVSOA-SECBINFHSA-N 2 2 254.334 -1.338 20 0 CAADLP CC1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C[NH2+]C1 ZINC001118286452 779560183 /nfs/dbraw/zinc/56/01/83/779560183.db2.gz FLFHUSKPXJVSOA-SECBINFHSA-N 2 2 254.334 -1.338 20 0 CAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001118486004 779570505 /nfs/dbraw/zinc/57/05/05/779570505.db2.gz IYPOHYRYKASGJL-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118925817 779597973 /nfs/dbraw/zinc/59/79/73/779597973.db2.gz YLBFAXWHMPAKDV-NSHDSACASA-N 2 2 295.343 -1.506 20 0 CAADLP O=C(NCCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118925816 779598132 /nfs/dbraw/zinc/59/81/32/779598132.db2.gz YLBFAXWHMPAKDV-LLVKDONJSA-N 2 2 295.343 -1.506 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118925807 779598160 /nfs/dbraw/zinc/59/81/60/779598160.db2.gz YHAMETRTZOPKKU-MNOVXSKESA-N 2 2 295.343 -1.508 20 0 CAADLP CCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC001119380561 779613176 /nfs/dbraw/zinc/61/31/76/779613176.db2.gz JARSWJJFJBCMKE-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)NC(C[NH3+])C[NH3+])CC1 ZINC001119682518 779623042 /nfs/dbraw/zinc/62/30/42/779623042.db2.gz LYWAWEUHIPFGTG-JTQLQIEISA-N 3 2 257.382 -1.585 20 0 CAADLP CCN1CCN(C(=O)[C@H](C)NC(C[NH3+])C[NH3+])CC1 ZINC001119682518 779623045 /nfs/dbraw/zinc/62/30/45/779623045.db2.gz LYWAWEUHIPFGTG-JTQLQIEISA-N 2 2 257.382 -1.585 20 0 CAADLP Cn1[nH]c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)nc1=O ZINC001119903863 779628143 /nfs/dbraw/zinc/62/81/43/779628143.db2.gz JFLQNUKLRFKVFR-UHFFFAOYSA-N 2 2 269.349 -1.003 20 0 CAADLP CCN1CC[NH+](CCCNC(=O)[C@H]([NH3+])CO)CC1 ZINC001122010006 779654898 /nfs/dbraw/zinc/65/48/98/779654898.db2.gz ZPKYNAQXGLISCB-LLVKDONJSA-N 2 2 258.366 -1.550 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001122127253 779658561 /nfs/dbraw/zinc/65/85/61/779658561.db2.gz PTBICQGNEJMFKT-GFCCVEGCSA-N 2 2 289.376 -1.497 20 0 CAADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC001122410184 779667726 /nfs/dbraw/zinc/66/77/26/779667726.db2.gz JUVIJAVXGMXFPD-GWCFXTLKSA-N 2 2 266.345 -1.242 20 0 CAADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC001122410375 779668162 /nfs/dbraw/zinc/66/81/62/779668162.db2.gz JUVIJAVXGMXFPD-ZWNOBZJWSA-N 2 2 266.345 -1.242 20 0 CAADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001122448551 779668938 /nfs/dbraw/zinc/66/89/38/779668938.db2.gz NXPMKBUHTZDOMB-MNOVXSKESA-N 2 2 259.350 -1.126 20 0 CAADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001122448551 779668942 /nfs/dbraw/zinc/66/89/42/779668942.db2.gz NXPMKBUHTZDOMB-MNOVXSKESA-N 2 2 259.350 -1.126 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001124872530 779719984 /nfs/dbraw/zinc/71/99/84/779719984.db2.gz JCYKXHJXHCBTTG-VIFPVBQESA-N 2 2 282.348 -1.592 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001124872530 779719987 /nfs/dbraw/zinc/71/99/87/779719987.db2.gz JCYKXHJXHCBTTG-VIFPVBQESA-N 2 2 282.348 -1.592 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001124872529 779720092 /nfs/dbraw/zinc/72/00/92/779720092.db2.gz JCYKXHJXHCBTTG-SECBINFHSA-N 2 2 282.348 -1.592 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001124872529 779720096 /nfs/dbraw/zinc/72/00/96/779720096.db2.gz JCYKXHJXHCBTTG-SECBINFHSA-N 2 2 282.348 -1.592 20 0 CAADLP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213296 779723918 /nfs/dbraw/zinc/72/39/18/779723918.db2.gz DCMFJVJLOIDKRM-LLVKDONJSA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1ccnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213296 779723926 /nfs/dbraw/zinc/72/39/26/779723926.db2.gz DCMFJVJLOIDKRM-LLVKDONJSA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213297 779724596 /nfs/dbraw/zinc/72/45/96/779724596.db2.gz DCMFJVJLOIDKRM-NSHDSACASA-N 2 2 281.360 -1.044 20 0 CAADLP Cn1ccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213297 779724599 /nfs/dbraw/zinc/72/45/99/779724599.db2.gz DCMFJVJLOIDKRM-NSHDSACASA-N 2 2 281.360 -1.044 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001142590996 779760557 /nfs/dbraw/zinc/76/05/57/779760557.db2.gz XHULFJIYEMCVJK-OUAUKWLOSA-N 2 2 256.354 -2.154 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001142590996 779760565 /nfs/dbraw/zinc/76/05/65/779760565.db2.gz XHULFJIYEMCVJK-OUAUKWLOSA-N 2 2 256.354 -2.154 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(N)=O ZINC001149558699 779779736 /nfs/dbraw/zinc/77/97/36/779779736.db2.gz KCMRBOAMMLQOBM-UHFFFAOYSA-N 2 2 253.306 -1.456 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001149565071 779779963 /nfs/dbraw/zinc/77/99/63/779779963.db2.gz XLZRVFYAQNTWOR-SECBINFHSA-N 2 2 267.333 -1.068 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001149565072 779780177 /nfs/dbraw/zinc/78/01/77/779780177.db2.gz XLZRVFYAQNTWOR-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001149558767 779780356 /nfs/dbraw/zinc/78/03/56/779780356.db2.gz LNOUJBPEAJBKQM-UHFFFAOYSA-N 2 2 296.331 -1.747 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150224294 779788961 /nfs/dbraw/zinc/78/89/61/779788961.db2.gz IMVSACKMTDLABR-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150224294 779788970 /nfs/dbraw/zinc/78/89/70/779788970.db2.gz IMVSACKMTDLABR-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP NC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714973 779799146 /nfs/dbraw/zinc/79/91/46/779799146.db2.gz JCFOTTYZLPXNIW-LBPRGKRZSA-N 2 2 298.387 -1.225 20 0 CAADLP NC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714973 779799152 /nfs/dbraw/zinc/79/91/52/779799152.db2.gz JCFOTTYZLPXNIW-LBPRGKRZSA-N 2 2 298.387 -1.225 20 0 CAADLP O=C(NCC[NH2+]CCO)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814562 779815801 /nfs/dbraw/zinc/81/58/01/779815801.db2.gz IVZPIWOLEUPIGR-GFCCVEGCSA-N 2 2 271.361 -1.205 20 0 CAADLP O=C(NCC[NH2+]CCO)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814563 779816205 /nfs/dbraw/zinc/81/62/05/779816205.db2.gz IVZPIWOLEUPIGR-LBPRGKRZSA-N 2 2 271.361 -1.205 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]2NCN[C@H]21 ZINC001151909980 779816745 /nfs/dbraw/zinc/81/67/45/779816745.db2.gz OCBNFMPXYQZXDO-QJPTWQEYSA-N 2 2 287.327 -1.533 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]2NCN[C@@H]21 ZINC001152208655 779819789 /nfs/dbraw/zinc/81/97/89/779819789.db2.gz ACYNOLSEECLKMR-IJLUTSLNSA-N 2 2 287.327 -1.533 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]2NCN[C@H]21 ZINC001152208656 779819865 /nfs/dbraw/zinc/81/98/65/779819865.db2.gz ACYNOLSEECLKMR-QJPTWQEYSA-N 2 2 287.327 -1.533 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001153495677 779839737 /nfs/dbraw/zinc/83/97/37/779839737.db2.gz NDSYNXPOHIZYIN-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP CCOCCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487960 779839781 /nfs/dbraw/zinc/83/97/81/779839781.db2.gz VUWVIPFICACWIY-UHFFFAOYSA-N 2 2 297.359 -1.258 20 0 CAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500831 779839882 /nfs/dbraw/zinc/83/98/82/779839882.db2.gz VUDITBJIPJGCCE-UHFFFAOYSA-N 2 2 289.361 -1.862 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+][C@H]1CCCNC1=O ZINC001153495676 779840237 /nfs/dbraw/zinc/84/02/37/779840237.db2.gz NDSYNXPOHIZYIN-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+][C@H]1CCNC1=O ZINC001153495664 779840388 /nfs/dbraw/zinc/84/03/88/779840388.db2.gz MRSLFYLAGOMNND-VIFPVBQESA-N 2 2 251.290 -1.523 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487994 779840406 /nfs/dbraw/zinc/84/04/06/779840406.db2.gz YOZCGPXIPUAINI-UHFFFAOYSA-N 2 2 282.304 -1.956 20 0 CAADLP CN1CC[C@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153500126 779840596 /nfs/dbraw/zinc/84/05/96/779840596.db2.gz FUGMJYRUWUWQQR-JTQLQIEISA-N 2 2 265.317 -1.180 20 0 CAADLP Cn1nncc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487589 779840674 /nfs/dbraw/zinc/84/06/74/779840674.db2.gz HBNRZXPGTJNHIK-UHFFFAOYSA-N 2 2 263.305 -1.082 20 0 CAADLP CN1CC[C@@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153500129 779840770 /nfs/dbraw/zinc/84/07/70/779840770.db2.gz FUGMJYRUWUWQQR-SNVBAGLBSA-N 2 2 265.317 -1.180 20 0 CAADLP CS(=O)(=O)CC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487510 779841085 /nfs/dbraw/zinc/84/10/85/779841085.db2.gz AQERZPQYXGANOQ-UHFFFAOYSA-N 2 2 274.346 -1.367 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOCCO ZINC001153496213 779841279 /nfs/dbraw/zinc/84/12/79/779841279.db2.gz WHQMVTXVRKRZLJ-UHFFFAOYSA-N 2 2 256.306 -1.402 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2cccc3c[nH+]cn32)[C@@H]2NCN[C@@H]21 ZINC001155799873 779878020 /nfs/dbraw/zinc/87/80/20/779878020.db2.gz OVTBANIYZZYVJV-UTUOFQBUSA-N 2 2 287.327 -1.533 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2cccc3c[nH+]cn32)[C@H]2NCN[C@H]21 ZINC001155799871 779878165 /nfs/dbraw/zinc/87/81/65/779878165.db2.gz OVTBANIYZZYVJV-QJPTWQEYSA-N 2 2 287.327 -1.533 20 0 CAADLP NC(=O)[C@@H]1CCCN1c1cc(N(CC[NH3+])CCO)nc[nH+]1 ZINC001155952618 779880784 /nfs/dbraw/zinc/88/07/84/779880784.db2.gz DINQTTKWENRCSA-JTQLQIEISA-N 2 2 294.359 -1.312 20 0 CAADLP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144473 779882624 /nfs/dbraw/zinc/88/26/24/779882624.db2.gz CYVJSHXJXQYXHV-SNVBAGLBSA-N 2 2 297.363 -1.863 20 0 CAADLP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144473 779882631 /nfs/dbraw/zinc/88/26/31/779882631.db2.gz CYVJSHXJXQYXHV-SNVBAGLBSA-N 2 2 297.363 -1.863 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157082311 779894793 /nfs/dbraw/zinc/89/47/93/779894793.db2.gz KSYYLCUKWCNGIZ-MXWKQRLJSA-N 2 2 296.327 -1.277 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157082311 779894798 /nfs/dbraw/zinc/89/47/98/779894798.db2.gz KSYYLCUKWCNGIZ-MXWKQRLJSA-N 2 2 296.327 -1.277 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082724 779895194 /nfs/dbraw/zinc/89/51/94/779895194.db2.gz PBHHOVNALJDIBG-UWVGGRQHSA-N 2 2 265.317 -1.172 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001157081571 779895261 /nfs/dbraw/zinc/89/52/61/779895261.db2.gz ASWYNOZQNNIJLH-VWYCJHECSA-N 2 2 296.327 -1.420 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001157081571 779895266 /nfs/dbraw/zinc/89/52/66/779895266.db2.gz ASWYNOZQNNIJLH-VWYCJHECSA-N 2 2 296.327 -1.420 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157082310 779895355 /nfs/dbraw/zinc/89/53/55/779895355.db2.gz KSYYLCUKWCNGIZ-DCAQKATOSA-N 2 2 296.327 -1.277 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157082310 779895359 /nfs/dbraw/zinc/89/53/59/779895359.db2.gz KSYYLCUKWCNGIZ-DCAQKATOSA-N 2 2 296.327 -1.277 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc3n(n2)CCCO3)C1 ZINC001157082323 779895396 /nfs/dbraw/zinc/89/53/96/779895396.db2.gz LDAHPNWKAPYLIA-SCZZXKLOSA-N 2 2 265.317 -1.029 20 0 CAADLP NC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257543 779898583 /nfs/dbraw/zinc/89/85/83/779898583.db2.gz STHUFNCDJXFNRJ-UHFFFAOYSA-N 2 2 253.306 -1.077 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])COC1 ZINC001157323310 779899556 /nfs/dbraw/zinc/89/95/56/779899556.db2.gz GQAUCHUXUFGFDQ-QMMMGPOBSA-N 2 2 258.322 -1.926 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157323787 779899898 /nfs/dbraw/zinc/89/98/98/779899898.db2.gz NVNZGWRSPXNBNO-PUHVVEEASA-N 3 2 297.403 -1.432 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157322945 779899958 /nfs/dbraw/zinc/89/99/58/779899958.db2.gz FQXHULUENFFXIJ-LBPRGKRZSA-N 3 2 299.419 -1.312 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])C(=O)OC ZINC001157324391 779899967 /nfs/dbraw/zinc/89/99/67/779899967.db2.gz YMYIQVGTYJDCCQ-IUCAKERBSA-N 2 2 288.348 -1.763 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001157323480 779900024 /nfs/dbraw/zinc/90/00/24/779900024.db2.gz RMMZZGQVEVDZHW-WDEREUQCSA-N 2 2 297.359 -1.224 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157323289 779900043 /nfs/dbraw/zinc/90/00/43/779900043.db2.gz FVTWOICYYPIPEH-IUCAKERBSA-N 3 2 259.354 -1.978 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1n[nH]c2c1C[NH2+]C2 ZINC001157354612 779900894 /nfs/dbraw/zinc/90/08/94/779900894.db2.gz GVNOAACFVDCRRM-VIFPVBQESA-N 2 2 294.359 -1.014 20 0 CAADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157423757 779903335 /nfs/dbraw/zinc/90/33/35/779903335.db2.gz UUDHIIVBVVFILQ-SNVBAGLBSA-N 2 2 279.344 -1.591 20 0 CAADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157421708 779903459 /nfs/dbraw/zinc/90/34/59/779903459.db2.gz HUSLWPPOKMRWTQ-JTQLQIEISA-N 3 2 263.345 -1.112 20 0 CAADLP C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157451120 779904226 /nfs/dbraw/zinc/90/42/26/779904226.db2.gz LVLKGSWZCXOKOE-DGCLKSJQSA-N 3 2 252.362 -1.041 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+](C)CC1 ZINC001157451192 779904536 /nfs/dbraw/zinc/90/45/36/779904536.db2.gz OTXUAZRLYAEJTR-IUCAKERBSA-N 2 2 258.322 -2.415 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157498218 779905649 /nfs/dbraw/zinc/90/56/49/779905649.db2.gz XTQIMPBTKPOTHA-SRVKXCTJSA-N 2 2 296.371 -1.617 20 0 CAADLP COC(=O)N1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001157507325 779906800 /nfs/dbraw/zinc/90/68/00/779906800.db2.gz IHVXDWIGSXHOJG-UHFFFAOYSA-N 2 2 270.333 -1.022 20 0 CAADLP COCC1CN(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001157521994 779907118 /nfs/dbraw/zinc/90/71/18/779907118.db2.gz NMBVDTBLBNAWRM-GFCCVEGCSA-N 2 2 270.377 -1.158 20 0 CAADLP CCn1nnc2c1[C@H](C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)C[NH2+]C2 ZINC001157530859 779907945 /nfs/dbraw/zinc/90/79/45/779907945.db2.gz KYKWPBZGJPFHSG-HLTSFMKQSA-N 2 2 282.323 -1.008 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529169 779908035 /nfs/dbraw/zinc/90/80/35/779908035.db2.gz YISAPQLZJOXOCR-ZDUSSCGKSA-N 2 2 299.394 -1.399 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157533147 779908157 /nfs/dbraw/zinc/90/81/57/779908157.db2.gz ZKJJNQBEBXRSLW-UTLUCORTSA-N 3 2 255.297 -1.203 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157715550 779910777 /nfs/dbraw/zinc/91/07/77/779910777.db2.gz GNUNZTBHWCUIJP-WGBDABJCSA-N 3 2 268.361 -1.345 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157715523 779910878 /nfs/dbraw/zinc/91/08/78/779910878.db2.gz FQEUPUWJJUFKMW-GMXVVIOVSA-N 3 2 268.361 -1.615 20 0 CAADLP CCNC(=O)CN(C)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157679680 779910922 /nfs/dbraw/zinc/91/09/22/779910922.db2.gz VACGQZQCWZAQAG-NSHDSACASA-N 2 2 285.392 -1.669 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157715212 779911036 /nfs/dbraw/zinc/91/10/36/779911036.db2.gz CIZRASHTJJAMKP-RYUDHWBXSA-N 3 2 281.360 -1.263 20 0 CAADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157721387 779912081 /nfs/dbraw/zinc/91/20/81/779912081.db2.gz XIDIBUXKHVBURG-OLZOCXBDSA-N 3 2 299.419 -1.816 20 0 CAADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157721384 779912331 /nfs/dbraw/zinc/91/23/31/779912331.db2.gz XIDIBUXKHVBURG-CHWSQXEVSA-N 3 2 299.419 -1.816 20 0 CAADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157716815 779912733 /nfs/dbraw/zinc/91/27/33/779912733.db2.gz TVLHSXRFYBNTBS-SFYZADRCSA-N 2 2 269.309 -2.484 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862845 779915101 /nfs/dbraw/zinc/91/51/01/779915101.db2.gz MYJUJFBZPQTAFV-QMMMGPOBSA-N 2 2 254.290 -1.978 20 0 CAADLP O=C(N1CC[C@@H](O)[C@H](F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157855681 779915461 /nfs/dbraw/zinc/91/54/61/779915461.db2.gz PLFJXXXURMKSGO-BTQIBKBOSA-N 2 2 257.309 -1.131 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157902412 779916028 /nfs/dbraw/zinc/91/60/28/779916028.db2.gz AZEOSFGAJZQIDM-NGDQXYMTSA-N 2 2 269.345 -1.862 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCCNC(=O)C1 ZINC001157889061 779916395 /nfs/dbraw/zinc/91/63/95/779916395.db2.gz IGHRAXYLBUEGSH-UHFFFAOYSA-N 2 2 254.334 -1.324 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC[NH2+]CC1 ZINC001157934735 779918381 /nfs/dbraw/zinc/91/83/81/779918381.db2.gz ODOYJVBWDXNATC-VHSXEESVSA-N 2 2 257.334 -1.731 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935144 779918632 /nfs/dbraw/zinc/91/86/32/779918632.db2.gz SFQHKMQKHMYNJE-ADEWGFFLSA-N 2 2 282.344 -1.508 20 0 CAADLP O=C(N1CC[C@H](O)[C@H](CO)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157936303 779918700 /nfs/dbraw/zinc/91/87/00/779918700.db2.gz ZBBSLXRAMURAOA-SRRSOLGSSA-N 2 2 269.345 -1.860 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001157934189 779918948 /nfs/dbraw/zinc/91/89/48/779918948.db2.gz RGLDAMYXNVONDA-UHFFFAOYSA-N 2 2 276.304 -1.369 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[C@@H]1O ZINC001157945247 779920118 /nfs/dbraw/zinc/92/01/18/779920118.db2.gz LBVJOTZOLJBDBE-FYLLDIAZSA-N 2 2 257.334 -1.733 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[C@@H]1O ZINC001157944228 779920165 /nfs/dbraw/zinc/92/01/65/779920165.db2.gz ITOQHNGZQOISQL-VTPLQMEGSA-N 2 2 283.372 -1.470 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1O ZINC001157945308 779920285 /nfs/dbraw/zinc/92/02/85/779920285.db2.gz LFHPLBHMTZVMDN-VTPLQMEGSA-N 2 2 283.372 -1.470 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157946043 779921051 /nfs/dbraw/zinc/92/10/51/779921051.db2.gz MEWRSSMQKNPWMN-SGMGOOAPSA-N 2 2 296.371 -1.118 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[C@H]1O ZINC001157947256 779921304 /nfs/dbraw/zinc/92/13/04/779921304.db2.gz RZZVQNQMNINSHC-KLBPJQLPSA-N 2 2 257.334 -1.733 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@H]1O ZINC001157945390 779921383 /nfs/dbraw/zinc/92/13/83/779921383.db2.gz LGEQYHJQKNCBMP-ROEYZRMQSA-N 2 2 283.372 -1.472 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@H]1O ZINC001157947381 779921420 /nfs/dbraw/zinc/92/14/20/779921420.db2.gz UBOQLGLZFOGBEW-GUDRVLHUSA-N 2 2 257.334 -1.875 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157946041 779921447 /nfs/dbraw/zinc/92/14/47/779921447.db2.gz MEWRSSMQKNPWMN-OUCADQQQSA-N 2 2 296.371 -1.118 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001157998843 779923175 /nfs/dbraw/zinc/92/31/75/779923175.db2.gz IUAANQNARKTYPB-UTLUCORTSA-N 2 2 271.317 -2.070 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001158000477 779923236 /nfs/dbraw/zinc/92/32/36/779923236.db2.gz YANWEDUQOTUIPM-YTWAJWBKSA-N 2 2 267.329 -1.185 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157998802 779923243 /nfs/dbraw/zinc/92/32/43/779923243.db2.gz HVDZJGAVQCTPKQ-QWRGUYRKSA-N 3 2 286.376 -1.194 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001157998034 779923394 /nfs/dbraw/zinc/92/33/94/779923394.db2.gz COZYYXVVOOKKRI-BDAKNGLRSA-N 2 2 259.306 -1.940 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001157999102 779923519 /nfs/dbraw/zinc/92/35/19/779923519.db2.gz ORXAPJFLFHDNLP-NXEZZACHSA-N 2 2 270.333 -2.089 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157998916 779923538 /nfs/dbraw/zinc/92/35/38/779923538.db2.gz KMGVLRZQRDJHJG-MFKMUULPSA-N 2 2 284.360 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1 ZINC001157999103 779923639 /nfs/dbraw/zinc/92/36/39/779923639.db2.gz ORXAPJFLFHDNLP-ZJUUUORDSA-N 2 2 270.333 -2.089 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001157998840 779923741 /nfs/dbraw/zinc/92/37/41/779923741.db2.gz IUAANQNARKTYPB-GUBZILKMSA-N 2 2 271.317 -2.070 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC001157998744 779923763 /nfs/dbraw/zinc/92/37/63/779923763.db2.gz GXKVBUIRGCGNNP-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157997655 779923827 /nfs/dbraw/zinc/92/38/27/779923827.db2.gz BPVQAJSDLMKCLE-WDMOLILDSA-N 2 2 297.355 -1.414 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001157998765 779923927 /nfs/dbraw/zinc/92/39/27/779923927.db2.gz HGQMXRGOMMCOLD-SNVBAGLBSA-N 2 2 284.360 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COC[NH2+]1 ZINC001157998423 779924030 /nfs/dbraw/zinc/92/40/30/779924030.db2.gz FKUGPEKWFIIZQZ-IUCAKERBSA-N 2 2 257.290 -1.704 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001157998842 779924112 /nfs/dbraw/zinc/92/41/12/779924112.db2.gz IUAANQNARKTYPB-LPEHRKFASA-N 2 2 271.317 -2.070 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001158005889 779924593 /nfs/dbraw/zinc/92/45/93/779924593.db2.gz DULNZHHOFAOMSA-JOYOIKCWSA-N 2 2 270.333 -1.959 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001158007535 779924678 /nfs/dbraw/zinc/92/46/78/779924678.db2.gz UQSMIYJXZOXXCX-GUBZILKMSA-N 2 2 270.333 -2.103 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001158006332 779924700 /nfs/dbraw/zinc/92/47/00/779924700.db2.gz KDSCVSXHWUSPEE-GUBZILKMSA-N 2 2 271.317 -1.927 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001158016225 779924843 /nfs/dbraw/zinc/92/48/43/779924843.db2.gz VFGTZHVTBQPMMK-WHOHXGKFSA-N 2 2 285.388 -1.083 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001158005887 779925029 /nfs/dbraw/zinc/92/50/29/779925029.db2.gz DULNZHHOFAOMSA-BXKDBHETSA-N 2 2 270.333 -1.959 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077375 779926019 /nfs/dbraw/zinc/92/60/19/779926019.db2.gz UMKKTFMDPIKAEI-QWRGUYRKSA-N 3 2 268.361 -1.343 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093090 779926467 /nfs/dbraw/zinc/92/64/67/779926467.db2.gz RZUVUDPVUXHLSW-UFBFGSQYSA-N 2 2 284.316 -2.433 20 0 CAADLP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158168330 779928732 /nfs/dbraw/zinc/92/87/32/779928732.db2.gz UMLGGHUMSJXETB-HKUMRIAESA-N 3 2 280.372 -1.615 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168647 779929109 /nfs/dbraw/zinc/92/91/09/779929109.db2.gz WHYUJENRQPAPSN-ADEWGFFLSA-N 3 2 279.344 -1.274 20 0 CAADLP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158168327 779929281 /nfs/dbraw/zinc/92/92/81/779929281.db2.gz UMLGGHUMSJXETB-BYNQJWBRSA-N 3 2 280.372 -1.615 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167468 779929379 /nfs/dbraw/zinc/92/93/79/779929379.db2.gz JZWIBYDXXWCQBV-OBPIAQAESA-N 3 2 280.372 -1.617 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192608 779929939 /nfs/dbraw/zinc/92/99/39/779929939.db2.gz ATMZNQAUNGQQCA-BIIVOSGPSA-N 2 2 251.294 -1.968 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158187436 779930319 /nfs/dbraw/zinc/93/03/19/779930319.db2.gz PSTZVXOZCGIZOO-QYABHDJLSA-N 3 2 250.346 -1.112 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001158186958 779930488 /nfs/dbraw/zinc/93/04/88/779930488.db2.gz JSDCIWNNTVVPRG-RMQVTFPSSA-N 3 2 250.346 -1.114 20 0 CAADLP NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158204542 779931113 /nfs/dbraw/zinc/93/11/13/779931113.db2.gz QMEWOEKDZFGXAP-MRVPVSSYSA-N 2 2 297.340 -1.223 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198890 779931510 /nfs/dbraw/zinc/93/15/10/779931510.db2.gz KDYAHKHWOHLZKE-VHSXEESVSA-N 2 2 252.318 -1.619 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305728 779932773 /nfs/dbraw/zinc/93/27/73/779932773.db2.gz KVOORUSWYPBWMZ-KKJSVHSVSA-N 3 2 250.346 -1.243 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306129 779932937 /nfs/dbraw/zinc/93/29/37/779932937.db2.gz OJHMTYPNNRZJSL-BIIVOSGPSA-N 2 2 251.294 -2.110 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC001158369968 779933232 /nfs/dbraw/zinc/93/32/32/779933232.db2.gz NCNHSJGCQCNGIW-JTQLQIEISA-N 2 2 286.357 -1.453 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158415746 779934259 /nfs/dbraw/zinc/93/42/59/779934259.db2.gz NSZVSFSOFQWQQA-BIIVOSGPSA-N 2 2 251.294 -1.968 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421688 779934667 /nfs/dbraw/zinc/93/46/67/779934667.db2.gz FHXIOHLZOOAAGK-MJDLHHQISA-N 3 2 250.346 -1.101 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547943 779936455 /nfs/dbraw/zinc/93/64/55/779936455.db2.gz QYLIWKRQAPXAJR-VXUPGSCNSA-N 3 2 280.372 -1.488 20 0 CAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001158498547 779937031 /nfs/dbraw/zinc/93/70/31/779937031.db2.gz PXXIFRPDSKFYHA-KZZRWZIVSA-N 3 2 296.371 -1.572 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001158604152 779937578 /nfs/dbraw/zinc/93/75/78/779937578.db2.gz JYKBLUCDBVXIOA-UKRRQHHQSA-N 3 2 296.415 -1.024 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001158604472 779937623 /nfs/dbraw/zinc/93/76/23/779937623.db2.gz NTMWXQIIGULIMH-NSHDSACASA-N 3 2 290.433 -1.204 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001158604049 779937694 /nfs/dbraw/zinc/93/76/94/779937694.db2.gz JIRHZEYQBIEASK-QWRGUYRKSA-N 2 2 257.334 -1.500 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001158605083 779937855 /nfs/dbraw/zinc/93/78/55/779937855.db2.gz VFZJHVMQRHRYGD-LLVKDONJSA-N 3 2 258.366 -1.157 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001158604045 779937942 /nfs/dbraw/zinc/93/79/42/779937942.db2.gz JIRHZEYQBIEASK-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567408 779937958 /nfs/dbraw/zinc/93/79/58/779937958.db2.gz HWZWDTQOZTZSLP-CIUDSAMLSA-N 2 2 297.338 -1.395 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001158605082 779938119 /nfs/dbraw/zinc/93/81/19/779938119.db2.gz VEKCLFHVXNOXBV-QWRGUYRKSA-N 2 2 256.350 -1.676 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001158604272 779938285 /nfs/dbraw/zinc/93/82/85/779938285.db2.gz MFHUFUWEAXBCNK-LBPRGKRZSA-N 3 2 282.388 -1.414 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001158604288 779938319 /nfs/dbraw/zinc/93/83/19/779938319.db2.gz MLYWDCRPAOIMJY-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001158603704 779938378 /nfs/dbraw/zinc/93/83/78/779938378.db2.gz IWRPLZFNSIDSJI-LBPRGKRZSA-N 2 2 256.350 -1.532 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21 ZINC001158804234 779940277 /nfs/dbraw/zinc/94/02/77/779940277.db2.gz MVDAXXJMSVZOCJ-NMKXLXIOSA-N 2 2 280.372 -1.521 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001158803235 779940507 /nfs/dbraw/zinc/94/05/07/779940507.db2.gz FCSAGPMUKWTMJJ-YTWAJWBKSA-N 2 2 254.334 -1.783 20 0 CAADLP NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537502 779950135 /nfs/dbraw/zinc/95/01/35/779950135.db2.gz XSEHHRVDXHUCAN-UHFFFAOYSA-N 2 2 253.306 -1.077 20 0 CAADLP NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537502 779950140 /nfs/dbraw/zinc/95/01/40/779950140.db2.gz XSEHHRVDXHUCAN-UHFFFAOYSA-N 2 2 253.306 -1.077 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@@H]2C1=O ZINC001159886184 779952454 /nfs/dbraw/zinc/95/24/54/779952454.db2.gz JNINJVBUNAKDET-ZHPDPMBESA-N 2 2 278.356 -1.516 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]2C1=O ZINC001159884074 779952871 /nfs/dbraw/zinc/95/28/71/779952871.db2.gz AOMYQAWOQNDNFF-KZZRWZIVSA-N 2 2 278.356 -1.517 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@@H]2C1=O ZINC001159886183 779953148 /nfs/dbraw/zinc/95/31/48/779953148.db2.gz JNINJVBUNAKDET-YAMSLAJTSA-N 2 2 278.356 -1.516 20 0 CAADLP CS(=O)(=O)N1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160432036 779957954 /nfs/dbraw/zinc/95/79/54/779957954.db2.gz LRVFFLIGOWNFRU-UHFFFAOYSA-N 2 2 290.389 -1.829 20 0 CAADLP CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160432403 779958784 /nfs/dbraw/zinc/95/87/84/779958784.db2.gz VJNLVPAKBSKIGZ-BDAKNGLRSA-N 2 2 276.362 -2.221 20 0 CAADLP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160439828 779959549 /nfs/dbraw/zinc/95/95/49/779959549.db2.gz NTUJLZZLFWKFQC-LPEHRKFASA-N 2 2 298.343 -2.187 20 0 CAADLP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160438738 779959973 /nfs/dbraw/zinc/95/99/73/779959973.db2.gz BVNFNTBWBNIVDV-UTLUCORTSA-N 2 2 298.343 -2.044 20 0 CAADLP CCN(CCC(N)=O)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160470544 779960660 /nfs/dbraw/zinc/96/06/60/779960660.db2.gz AEAKHCVIJCRANX-SKDRFNHKSA-N 2 2 254.334 -1.338 20 0 CAADLP C[C@@H]1C(=O)NCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160452005 779960834 /nfs/dbraw/zinc/96/08/34/779960834.db2.gz WPWGWRSCRGJXOQ-SECBINFHSA-N 2 2 254.334 -1.325 20 0 CAADLP NC(=O)N1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160456721 779961196 /nfs/dbraw/zinc/96/11/96/779961196.db2.gz PTJJCTWKDHVPFK-UHFFFAOYSA-N 2 2 255.322 -1.710 20 0 CAADLP CCN(CCC(N)=O)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160470542 779961323 /nfs/dbraw/zinc/96/13/23/779961323.db2.gz AEAKHCVIJCRANX-CABZTGNLSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160456334 779961438 /nfs/dbraw/zinc/96/14/38/779961438.db2.gz IICAPQRQAAFGTD-LNLATYFQSA-N 2 2 267.333 -1.569 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(C(N)=O)CC1 ZINC001160456135 779961552 /nfs/dbraw/zinc/96/15/52/779961552.db2.gz CRZBHBJFBOQWPU-JTQLQIEISA-N 2 2 280.332 -1.487 20 0 CAADLP CC1(C)C(=O)NCCN1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160477663 779962334 /nfs/dbraw/zinc/96/23/34/779962334.db2.gz ASRKVKNPRPEDSM-LLVKDONJSA-N 2 2 297.403 -1.526 20 0 CAADLP O=C(N1CCC2(C1)OCCO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160471133 779962416 /nfs/dbraw/zinc/96/24/16/779962416.db2.gz PULXCAVZFXPOST-GWCFXTLKSA-N 2 2 267.329 -1.087 20 0 CAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160485082 779962959 /nfs/dbraw/zinc/96/29/59/779962959.db2.gz PZOCHXMBGKMWFM-RYUDHWBXSA-N 2 2 297.403 -1.798 20 0 CAADLP CC1(C)C(=O)NCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160477905 779963087 /nfs/dbraw/zinc/96/30/87/779963087.db2.gz GZPDFCYRFGTGIE-KKFJDGPESA-N 2 2 266.345 -1.055 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490982 779963134 /nfs/dbraw/zinc/96/31/34/779963134.db2.gz OTBITSAXRQHUAD-LBPRGKRZSA-N 3 2 270.377 -1.014 20 0 CAADLP CN(C)C(=O)CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160504410 779964281 /nfs/dbraw/zinc/96/42/81/779964281.db2.gz MZPBJNOZJRTBQN-JTQLQIEISA-N 2 2 267.333 -1.164 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(CO)C1 ZINC001160531593 779964704 /nfs/dbraw/zinc/96/47/04/779964704.db2.gz VDZBORKNCZLPPB-NSHDSACASA-N 2 2 256.350 -1.813 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160536025 779965420 /nfs/dbraw/zinc/96/54/20/779965420.db2.gz YEQUJLULXCPAMD-UWVGGRQHSA-N 2 2 270.333 -2.150 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160531432 779965584 /nfs/dbraw/zinc/96/55/84/779965584.db2.gz PKJLQROCTMBGMW-ZJUUUORDSA-N 2 2 270.333 -2.007 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(c2cccnn2)CC1 ZINC001160573640 779966456 /nfs/dbraw/zinc/96/64/56/779966456.db2.gz RDTARAQQIUVFIL-QWRGUYRKSA-N 2 2 276.344 -1.328 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160549598 779967135 /nfs/dbraw/zinc/96/71/35/779967135.db2.gz RLGWBPLLZHGMKM-KBVBSXBZSA-N 2 2 252.318 -1.728 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCO1 ZINC001160595996 779967979 /nfs/dbraw/zinc/96/79/79/779967979.db2.gz KCRAJGZOPWHQNI-UTLUCORTSA-N 2 2 271.317 -1.676 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001160597076 779968208 /nfs/dbraw/zinc/96/82/08/779968208.db2.gz YLNBYPDFGYQXQU-JTQLQIEISA-N 2 2 285.344 -1.142 20 0 CAADLP CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160597563 779968273 /nfs/dbraw/zinc/96/82/73/779968273.db2.gz USKJLXJTLWEHPY-NNYUYHANSA-N 2 2 297.355 -1.273 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160597964 779968649 /nfs/dbraw/zinc/96/86/49/779968649.db2.gz ZGSHRJJJMUBXNB-PUHVVEEASA-N 2 2 297.355 -1.001 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160635773 779969333 /nfs/dbraw/zinc/96/93/33/779969333.db2.gz CIIXOYHZZCHHKM-RYUDHWBXSA-N 2 2 296.371 -1.617 20 0 CAADLP [NH3+]C1(C(=O)N2CC(N3CCNC(=O)C3)C2)CC[NH2+]CC1 ZINC001160637608 779970615 /nfs/dbraw/zinc/97/06/15/779970615.db2.gz RQAWTXYMEOADDK-UHFFFAOYSA-N 2 2 281.360 -2.290 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640438 779970836 /nfs/dbraw/zinc/97/08/36/779970836.db2.gz BNDRKUHGXIREHT-NXEZZACHSA-N 2 2 279.300 -1.058 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160638138 779971204 /nfs/dbraw/zinc/97/12/04/779971204.db2.gz WVHZNFXJGVEIOD-UWVGGRQHSA-N 2 2 267.333 -2.824 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160643702 779972062 /nfs/dbraw/zinc/97/20/62/779972062.db2.gz MRIJLCHAHGCMOY-XWLWVQCSSA-N 3 2 254.334 -1.878 20 0 CAADLP O=C(N1CCN2C(=O)OC[C@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160640688 779972226 /nfs/dbraw/zinc/97/22/26/779972226.db2.gz LUIHYMCNSDWFSM-BREBYQMCSA-N 2 2 280.328 -1.399 20 0 CAADLP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001160644933 779972556 /nfs/dbraw/zinc/97/25/56/779972556.db2.gz JSBZSCIZTBUYQA-ZETCQYMHSA-N 2 2 253.310 -1.768 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CCO1 ZINC001160643412 779972635 /nfs/dbraw/zinc/97/26/35/779972635.db2.gz HFSSBNJNQFMQTM-BQBZGAKWSA-N 2 2 255.282 -2.744 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@H]1O ZINC001160652831 779973451 /nfs/dbraw/zinc/97/34/51/779973451.db2.gz MZLZNTDSSNTWNZ-OGBGREFGSA-N 3 2 254.334 -2.143 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1F ZINC001160647255 779973497 /nfs/dbraw/zinc/97/34/97/779973497.db2.gz CWLMWIUOVMZJEP-UXCLJVHYSA-N 3 2 256.325 -1.164 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001160647842 779973621 /nfs/dbraw/zinc/97/36/21/779973621.db2.gz VQCRDBVDLGIESF-BBBLOLIVSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1F ZINC001160647252 779973774 /nfs/dbraw/zinc/97/37/74/779973774.db2.gz CWLMWIUOVMZJEP-DTHBNOIPSA-N 3 2 256.325 -1.164 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1F ZINC001160647254 779973854 /nfs/dbraw/zinc/97/38/54/779973854.db2.gz CWLMWIUOVMZJEP-KLBPJQLPSA-N 3 2 256.325 -1.164 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160658321 779975073 /nfs/dbraw/zinc/97/50/73/779975073.db2.gz UTNVTHXBXRBMLQ-KKZNHRDASA-N 2 2 288.373 -2.032 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160660917 779975767 /nfs/dbraw/zinc/97/57/67/779975767.db2.gz LIIKYJRTNJHXSP-VKISENBKSA-N 2 2 279.340 -1.105 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160704372 779976742 /nfs/dbraw/zinc/97/67/42/779976742.db2.gz JTKKJFJGISRBGD-QEYWKRMJSA-N 2 2 268.317 -2.351 20 0 CAADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160696325 779976859 /nfs/dbraw/zinc/97/68/59/779976859.db2.gz UZIWMAOQPHGBDY-IUCAKERBSA-N 2 2 267.337 -1.473 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001160662614 779977543 /nfs/dbraw/zinc/97/75/43/779977543.db2.gz ZRMVMFMDJVUCJI-UHFFFAOYSA-N 2 2 276.362 -2.173 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160705179 779977986 /nfs/dbraw/zinc/97/79/86/779977986.db2.gz UHZXJTBLPDSVPR-HNBLOZHYSA-N 2 2 268.317 -2.079 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704567 779978011 /nfs/dbraw/zinc/97/80/11/779978011.db2.gz LVRKWAWRKSLCKO-KZVDOYCCSA-N 3 2 264.373 -1.042 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704567 779978013 /nfs/dbraw/zinc/97/80/13/779978013.db2.gz LVRKWAWRKSLCKO-KZVDOYCCSA-N 3 2 264.373 -1.042 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2C1 ZINC001160705381 779978124 /nfs/dbraw/zinc/97/81/24/779978124.db2.gz WWHXBBWMARVTMA-IEECTRCBSA-N 3 2 264.373 -1.044 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2C1 ZINC001160705381 779978127 /nfs/dbraw/zinc/97/81/27/779978127.db2.gz WWHXBBWMARVTMA-IEECTRCBSA-N 3 2 264.373 -1.044 20 0 CAADLP COC(=O)[C@H](C)N(C)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160718211 779978162 /nfs/dbraw/zinc/97/81/62/779978162.db2.gz FAPYNHQVFGVZKS-SBMIAAHKSA-N 2 2 255.318 -1.042 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160704559 779978441 /nfs/dbraw/zinc/97/84/41/779978441.db2.gz LUGSAQDZAATONF-RKDXNWHRSA-N 2 2 267.289 -2.008 20 0 CAADLP COC(=O)[C@H](C)N(C)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160718212 779978932 /nfs/dbraw/zinc/97/89/32/779978932.db2.gz FAPYNHQVFGVZKS-YGOYTEALSA-N 2 2 255.318 -1.042 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160705180 779978951 /nfs/dbraw/zinc/97/89/51/779978951.db2.gz UHZXJTBLPDSVPR-XBWDGYHZSA-N 2 2 268.317 -2.079 20 0 CAADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCc2[nH+]ccn2CC1 ZINC001160760195 779980107 /nfs/dbraw/zinc/98/01/07/779980107.db2.gz GYMFEJJATNNDCR-NXEZZACHSA-N 2 2 250.302 -1.009 20 0 CAADLP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160746476 779980135 /nfs/dbraw/zinc/98/01/35/779980135.db2.gz JUCQYFOMHUMPEX-WOPDTQHZSA-N 2 2 298.387 -1.181 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789384 779981043 /nfs/dbraw/zinc/98/10/43/779981043.db2.gz BNQLGYCHIGDBHM-QWRGUYRKSA-N 2 2 293.327 -1.651 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2nncc2C1 ZINC001160831573 779982851 /nfs/dbraw/zinc/98/28/51/779982851.db2.gz AUMDAQFRIKDKPW-SNVBAGLBSA-N 2 2 261.289 -1.087 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2nncc2C1 ZINC001160831572 779982927 /nfs/dbraw/zinc/98/29/27/779982927.db2.gz AUMDAQFRIKDKPW-JTQLQIEISA-N 2 2 261.289 -1.087 20 0 CAADLP [NH3+]C1(C(=O)N2CCN3C(=O)COC[C@@H]3C2)CC[NH2+]CC1 ZINC001160790687 779982947 /nfs/dbraw/zinc/98/29/47/779982947.db2.gz SLFGNLVSURNCOA-JTQLQIEISA-N 2 2 282.344 -1.863 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160837501 779983888 /nfs/dbraw/zinc/98/38/88/779983888.db2.gz ADZGBFXJMYDZBS-DCAQKATOSA-N 3 2 256.350 -1.678 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160839394 779984291 /nfs/dbraw/zinc/98/42/91/779984291.db2.gz PLDLCBKYZWMNSZ-LLVKDONJSA-N 3 2 270.377 -1.144 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C ZINC001160871215 779985570 /nfs/dbraw/zinc/98/55/70/779985570.db2.gz RNYBSIMSVADFNP-MNOVXSKESA-N 2 2 295.343 -1.405 20 0 CAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160901702 779986481 /nfs/dbraw/zinc/98/64/81/779986481.db2.gz FVGUKGKTAFBVHV-BDAKNGLRSA-N 2 2 293.327 -1.299 20 0 CAADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001160884294 779986576 /nfs/dbraw/zinc/98/65/76/779986576.db2.gz RLNGKCWNLJFDME-UVOCVTCTSA-N 2 2 267.329 -1.057 20 0 CAADLP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160941962 779987685 /nfs/dbraw/zinc/98/76/85/779987685.db2.gz QMOBSNUHRQAZEL-CMPLNLGQSA-N 2 2 297.403 -1.574 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)C1 ZINC001160916520 779987782 /nfs/dbraw/zinc/98/77/82/779987782.db2.gz ZHYAUPCIQNZXBE-SCZZXKLOSA-N 3 2 262.317 -1.529 20 0 CAADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001160962637 779987809 /nfs/dbraw/zinc/98/78/09/779987809.db2.gz FBKWMAXJQLFQRO-VDDIYKPWSA-N 2 2 279.348 -1.520 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999902 779988671 /nfs/dbraw/zinc/98/86/71/779988671.db2.gz MTBCKWATEJPDMK-WUHRBBMRSA-N 3 2 294.399 -1.348 20 0 CAADLP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161000468 779989495 /nfs/dbraw/zinc/98/94/95/779989495.db2.gz TUXLDSFRDYTYIX-HUBLWGQQSA-N 3 2 294.399 -1.347 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001161031948 779990544 /nfs/dbraw/zinc/99/05/44/779990544.db2.gz NMWBUTWGMILWLW-UWVGGRQHSA-N 2 2 265.317 -1.234 20 0 CAADLP O=C1C[NH2+]CCN1CCNc1ncc2c(n1)C[NH2+]C2 ZINC001161018739 779990607 /nfs/dbraw/zinc/99/06/07/779990607.db2.gz BNTXZTOCIDYFTF-UHFFFAOYSA-N 2 2 262.317 -1.077 20 0 CAADLP NC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161031850 779990898 /nfs/dbraw/zinc/99/08/98/779990898.db2.gz MCLSXMYWLKNWMC-JTQLQIEISA-N 2 2 254.334 -1.196 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058165 779992042 /nfs/dbraw/zinc/99/20/42/779992042.db2.gz OYGGFBVVWNHREH-XHNCKOQMSA-N 2 2 267.337 -1.202 20 0 CAADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]21 ZINC001161081123 779992628 /nfs/dbraw/zinc/99/26/28/779992628.db2.gz FNVVTGAGLGLFDM-KXUCPTDWSA-N 2 2 279.348 -1.378 20 0 CAADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]21 ZINC001161081123 779992633 /nfs/dbraw/zinc/99/26/33/779992633.db2.gz FNVVTGAGLGLFDM-KXUCPTDWSA-N 2 2 279.348 -1.378 20 0 CAADLP [NH3+]C1(C(=O)N2CCC3(CNC(=O)N3)CC2)CC[NH2+]CC1 ZINC001161081085 779992684 /nfs/dbraw/zinc/99/26/84/779992684.db2.gz DNSBFNCYAOVDPQ-UHFFFAOYSA-N 2 2 281.360 -1.259 20 0 CAADLP O=C(N1CCC2(CNC(=O)N2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161082850 779992772 /nfs/dbraw/zinc/99/27/72/779992772.db2.gz PMWSUGVXIBXFJJ-YGRLFVJLSA-N 2 2 293.371 -1.388 20 0 CAADLP O=C(N1CCC2(CNC(=O)N2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161082849 779992984 /nfs/dbraw/zinc/99/29/84/779992984.db2.gz PMWSUGVXIBXFJJ-QMTHXVAHSA-N 2 2 293.371 -1.388 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084363 779993942 /nfs/dbraw/zinc/99/39/42/779993942.db2.gz GIHVKXDFOUYIBL-WLRJLXCNSA-N 2 2 251.286 -1.537 20 0 CAADLP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161092905 779994157 /nfs/dbraw/zinc/99/41/57/779994157.db2.gz FBATUCCTDYCXCJ-LPEHRKFASA-N 2 2 271.317 -1.676 20 0 CAADLP O=C(N1C[C@@H]2C[C@H]1C(=O)O2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161084307 779994556 /nfs/dbraw/zinc/99/45/56/779994556.db2.gz FNRRQGUZZDNUJK-PHGLEFOZSA-N 2 2 251.286 -1.536 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161093713 779995446 /nfs/dbraw/zinc/99/54/46/779995446.db2.gz VRFMAEZHHICYPB-MJVIPROJSA-N 2 2 297.355 -1.272 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161093714 779995685 /nfs/dbraw/zinc/99/56/85/779995685.db2.gz VRFMAEZHHICYPB-SUNKGSAMSA-N 2 2 297.355 -1.272 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161093831 779996334 /nfs/dbraw/zinc/99/63/34/779996334.db2.gz YEMLUQMVHQNDMV-YFKTTZPYSA-N 2 2 297.355 -1.273 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC001161137948 779997130 /nfs/dbraw/zinc/99/71/30/779997130.db2.gz IOXGNWDMUAUMJD-XLDPMVHQSA-N 2 2 257.290 -2.188 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161138207 779996899 /nfs/dbraw/zinc/99/68/99/779996899.db2.gz PHCVEGPSRHTSNI-ZANVPECISA-N 2 2 298.343 -2.580 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001161138358 779996944 /nfs/dbraw/zinc/99/69/44/779996944.db2.gz SUXLNAPQZGOMFM-FJJSUARNSA-N 2 2 291.373 -1.815 20 0 CAADLP CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1C[NH+](C)C1 ZINC001161137084 779997055 /nfs/dbraw/zinc/99/70/55/779997055.db2.gz BSQMDVXUFZKOKF-UHFFFAOYSA-N 2 2 292.405 -1.631 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C2(N)CC[NH2+]CC2)C1 ZINC001161138266 779997499 /nfs/dbraw/zinc/99/74/99/779997499.db2.gz QOAZBBGVNYLHQS-LBPRGKRZSA-N 2 2 270.333 -1.830 20 0 CAADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161138224 779997751 /nfs/dbraw/zinc/99/77/51/779997751.db2.gz PWYTXCREPLEKPG-GXFFZTMASA-N 3 2 286.376 -1.194 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@]2(N)CCC[NH2+]C2)C1 ZINC001161138108 779997923 /nfs/dbraw/zinc/99/79/23/779997923.db2.gz NGEHOCWIZFBYLQ-RYUDHWBXSA-N 2 2 270.333 -1.830 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161138204 779998063 /nfs/dbraw/zinc/99/80/63/779998063.db2.gz PHCVEGPSRHTSNI-NOZJJQNGSA-N 2 2 298.343 -2.580 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161138355 779998077 /nfs/dbraw/zinc/99/80/77/779998077.db2.gz STCOGVGGGAQEAW-HONMWMINSA-N 3 2 296.371 -1.712 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[NH2+]CCC[NH3+])C1 ZINC001161139221 779998755 /nfs/dbraw/zinc/99/87/55/779998755.db2.gz NLOVNYHKLBMQGB-LLVKDONJSA-N 3 2 258.322 -1.972 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138781 779998800 /nfs/dbraw/zinc/99/88/00/779998800.db2.gz ZCBVWTPRNRIVHR-TVQRCGJNSA-N 3 2 282.344 -2.102 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138780 779998834 /nfs/dbraw/zinc/99/88/34/779998834.db2.gz ZCBVWTPRNRIVHR-RNCFNFMXSA-N 3 2 282.344 -2.102 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001161139150 779998897 /nfs/dbraw/zinc/99/88/97/779998897.db2.gz MCRVVJNMWDBQTD-GHMZBOCLSA-N 2 2 256.306 -2.220 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139429 779998938 /nfs/dbraw/zinc/99/89/38/779998938.db2.gz TXIXREHIPZKOSM-GXFFZTMASA-N 3 2 284.360 -1.584 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001161139153 779998960 /nfs/dbraw/zinc/99/89/60/779998960.db2.gz MCRVVJNMWDBQTD-WDEREUQCSA-N 2 2 256.306 -2.220 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161139039 779999121 /nfs/dbraw/zinc/99/91/21/779999121.db2.gz JQVBDGHUVGVESD-DKCNOQQISA-N 2 2 256.306 -2.364 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001161139213 779999131 /nfs/dbraw/zinc/99/91/31/779999131.db2.gz NHUCCFYBTVCQAB-TVQRCGJNSA-N 2 2 298.343 -1.961 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@]2(N)CC[NH2+]C2)C1 ZINC001161139152 779999377 /nfs/dbraw/zinc/99/93/77/779999377.db2.gz MCRVVJNMWDBQTD-QWRGUYRKSA-N 2 2 256.306 -2.220 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001161158660 779999959 /nfs/dbraw/zinc/99/99/59/779999959.db2.gz ZKJKPLOTMVWRBI-UWVGGRQHSA-N 3 2 272.349 -1.584 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161170066 780000125 /nfs/dbraw/zinc/00/01/25/780000125.db2.gz BCJSHTSRIGZHKV-SRVKXCTJSA-N 2 2 279.344 -1.477 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H]([NH3+])C(=O)OC ZINC001161158222 780000394 /nfs/dbraw/zinc/00/03/94/780000394.db2.gz RPVYAIRRRJIMKV-VIFPVBQESA-N 2 2 289.332 -1.383 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161158549 780000420 /nfs/dbraw/zinc/00/04/20/780000420.db2.gz WSFFRSXIMHQLGT-BXUZGUMPSA-N 3 2 298.387 -1.322 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161157353 780000629 /nfs/dbraw/zinc/00/06/29/780000629.db2.gz BRPFEYLKZHOWSN-SDDRHHMPSA-N 3 2 298.387 -1.323 20 0 CAADLP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]2C1 ZINC001161174983 780001261 /nfs/dbraw/zinc/00/12/61/780001261.db2.gz HWTLUPMLSMFKJD-DCAQKATOSA-N 2 2 293.375 -1.130 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161238035 780002708 /nfs/dbraw/zinc/00/27/08/780002708.db2.gz QOFZGFOSWSXSQX-PUHVVEEASA-N 2 2 296.371 -1.476 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237262 780002979 /nfs/dbraw/zinc/00/29/79/780002979.db2.gz KFZANIVQYDOVIE-MNOVXSKESA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237262 780002987 /nfs/dbraw/zinc/00/29/87/780002987.db2.gz KFZANIVQYDOVIE-MNOVXSKESA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001161236594 780003232 /nfs/dbraw/zinc/00/32/32/780003232.db2.gz FXZVGNWVKBYXCR-RKDXNWHRSA-N 2 2 259.306 -1.988 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001161236594 780003242 /nfs/dbraw/zinc/00/32/42/780003242.db2.gz FXZVGNWVKBYXCR-RKDXNWHRSA-N 2 2 259.306 -1.988 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161236633 780003347 /nfs/dbraw/zinc/00/33/47/780003347.db2.gz GOUDNJDSEJQGJK-YTWAJWBKSA-N 2 2 267.329 -1.233 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161236633 780003350 /nfs/dbraw/zinc/00/33/50/780003350.db2.gz GOUDNJDSEJQGJK-YTWAJWBKSA-N 2 2 267.329 -1.233 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161236038 780003826 /nfs/dbraw/zinc/00/38/26/780003826.db2.gz AGRYQFPQPBPJNZ-LLVKDONJSA-N 2 2 284.360 -1.793 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161236038 780003833 /nfs/dbraw/zinc/00/38/33/780003833.db2.gz AGRYQFPQPBPJNZ-LLVKDONJSA-N 2 2 284.360 -1.793 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001161237525 780004126 /nfs/dbraw/zinc/00/41/26/780004126.db2.gz LRKJDQFXTQXDFB-QWRGUYRKSA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001161237525 780004131 /nfs/dbraw/zinc/00/41/31/780004131.db2.gz LRKJDQFXTQXDFB-QWRGUYRKSA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161239255 780004208 /nfs/dbraw/zinc/00/42/08/780004208.db2.gz YOBVUMIIMKFVDY-NNYUYHANSA-N 2 2 296.371 -1.748 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001161236593 780004273 /nfs/dbraw/zinc/00/42/73/780004273.db2.gz FXZVGNWVKBYXCR-IUCAKERBSA-N 2 2 259.306 -1.988 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001161236593 780004280 /nfs/dbraw/zinc/00/42/80/780004280.db2.gz FXZVGNWVKBYXCR-IUCAKERBSA-N 2 2 259.306 -1.988 20 0 CAADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161239134 780004384 /nfs/dbraw/zinc/00/43/84/780004384.db2.gz GWLKRBVTFTYSLW-UXCLJVHYSA-N 3 2 256.325 -1.164 20 0 CAADLP CNC(=O)NC1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001161269299 780005142 /nfs/dbraw/zinc/00/51/42/780005142.db2.gz WXOVAILBWIZYIJ-UHFFFAOYSA-N 2 2 283.376 -1.013 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161268826 780005066 /nfs/dbraw/zinc/00/50/66/780005066.db2.gz MLJVISJLEXIPTR-HZMBPMFUSA-N 2 2 295.387 -1.142 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ncncn3)CC2)C1 ZINC001161247302 780005732 /nfs/dbraw/zinc/00/57/32/780005732.db2.gz CGKQJLDMLWWDGH-ZJUUUORDSA-N 2 2 277.332 -1.791 20 0 CAADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161270941 780006062 /nfs/dbraw/zinc/00/60/62/780006062.db2.gz RHUVYMDIZBTVPI-VWYCJHECSA-N 2 2 254.334 -1.340 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCN1C(C)=O ZINC001161294957 780006746 /nfs/dbraw/zinc/00/67/46/780006746.db2.gz BZVQLKRKEBUVCM-OUAUKWLOSA-N 2 2 298.343 -2.092 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCN1C(C)=O ZINC001161294958 780006965 /nfs/dbraw/zinc/00/69/65/780006965.db2.gz BZVQLKRKEBUVCM-VWYCJHECSA-N 2 2 298.343 -2.092 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCN1C(C)=O ZINC001161294956 780007547 /nfs/dbraw/zinc/00/75/47/780007547.db2.gz BWQCTRDRLOSAHJ-GARJFASQSA-N 2 2 298.343 -2.235 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161298417 780007663 /nfs/dbraw/zinc/00/76/63/780007663.db2.gz LRWXRZNHYWAQOI-UWVGGRQHSA-N 2 2 266.345 -1.196 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161373296 780008827 /nfs/dbraw/zinc/00/88/27/780008827.db2.gz NXKKVELEUPMVMO-PTRXPTGYSA-N 2 2 271.317 -1.534 20 0 CAADLP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380368 780009841 /nfs/dbraw/zinc/00/98/41/780009841.db2.gz VEOHGNVZSUZIRJ-CYBMUJFWSA-N 4 2 283.420 -1.051 20 0 CAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)CC1 ZINC001161377122 780010107 /nfs/dbraw/zinc/01/01/07/780010107.db2.gz FLIBJQURYZJYIF-UPJWGTAASA-N 3 2 282.388 -1.267 20 0 CAADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)CC1 ZINC001161377124 780010564 /nfs/dbraw/zinc/01/05/64/780010564.db2.gz FLIBJQURYZJYIF-XQQFMLRXSA-N 3 2 282.388 -1.267 20 0 CAADLP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161374467 780010841 /nfs/dbraw/zinc/01/08/41/780010841.db2.gz VNXWVHCNWZQSEN-MHWZDGSBSA-N 2 2 297.355 -1.001 20 0 CAADLP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161380369 780010895 /nfs/dbraw/zinc/01/08/95/780010895.db2.gz VEOHGNVZSUZIRJ-ZDUSSCGKSA-N 4 2 283.420 -1.051 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423979 780011715 /nfs/dbraw/zinc/01/17/15/780011715.db2.gz VCDSJNLHXFBXQT-YMNVWFMLSA-N 2 2 259.375 -1.001 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423979 780011721 /nfs/dbraw/zinc/01/17/21/780011721.db2.gz VCDSJNLHXFBXQT-YMNVWFMLSA-N 2 2 259.375 -1.001 20 0 CAADLP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448516 780013727 /nfs/dbraw/zinc/01/37/27/780013727.db2.gz DMFVNBXFIIJJSB-XQQFMLRXSA-N 4 2 283.420 -1.182 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[C@@H]1C ZINC001161459829 780013838 /nfs/dbraw/zinc/01/38/38/780013838.db2.gz WAHOLUZWHKXBGH-JXUBOQSCSA-N 2 2 255.318 -1.057 20 0 CAADLP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161444177 780013935 /nfs/dbraw/zinc/01/39/35/780013935.db2.gz DMFVNBXFIIJJSB-AGIUHOORSA-N 4 2 283.420 -1.182 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424055 780014327 /nfs/dbraw/zinc/01/43/27/780014327.db2.gz XMNZBYBCJRFWEM-OLZOCXBDSA-N 3 2 281.404 -1.347 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424055 780014331 /nfs/dbraw/zinc/01/43/31/780014331.db2.gz XMNZBYBCJRFWEM-OLZOCXBDSA-N 3 2 281.404 -1.347 20 0 CAADLP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161444178 780014398 /nfs/dbraw/zinc/01/43/98/780014398.db2.gz DMFVNBXFIIJJSB-UPJWGTAASA-N 4 2 283.420 -1.182 20 0 CAADLP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161450045 780014448 /nfs/dbraw/zinc/01/44/48/780014448.db2.gz YUSZGBAHFFTCPT-AVGNSLFASA-N 4 2 283.420 -1.325 20 0 CAADLP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161489418 780015006 /nfs/dbraw/zinc/01/50/06/780015006.db2.gz MQEIFIDCZAKBSA-KWQFWETISA-N 2 2 267.337 -1.343 20 0 CAADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001161476452 780015284 /nfs/dbraw/zinc/01/52/84/780015284.db2.gz AXJFYPHJGCYICU-AYGWYOGXSA-N 3 2 296.371 -1.571 20 0 CAADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001161476428 780015654 /nfs/dbraw/zinc/01/56/54/780015654.db2.gz AQEIQNUWZZABFF-AYGWYOGXSA-N 3 2 296.371 -1.713 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001161492307 780016529 /nfs/dbraw/zinc/01/65/29/780016529.db2.gz NGVIXIDDPHCZRA-DTHBNOIPSA-N 3 2 254.334 -1.878 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001161492310 780017553 /nfs/dbraw/zinc/01/75/53/780017553.db2.gz NGVIXIDDPHCZRA-UXCLJVHYSA-N 3 2 254.334 -1.878 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@H]2COC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161498568 780017603 /nfs/dbraw/zinc/01/76/03/780017603.db2.gz KAFKWXNQKWMAGO-ONGXEEELSA-N 2 2 255.318 -1.136 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@H]2COC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161498568 780017612 /nfs/dbraw/zinc/01/76/12/780017612.db2.gz KAFKWXNQKWMAGO-ONGXEEELSA-N 2 2 255.318 -1.136 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)C1 ZINC001161491568 780017859 /nfs/dbraw/zinc/01/78/59/780017859.db2.gz FUTMZSCHMXJVFV-RGOKHQFPSA-N 2 2 253.302 -1.651 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@H]2COCC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161500431 780018199 /nfs/dbraw/zinc/01/81/99/780018199.db2.gz XHEXQZLLQAHYIS-JQWIXIFHSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@H]2COCC[NH2+]2)C1)[C@H]1CCOC1 ZINC001161500431 780018209 /nfs/dbraw/zinc/01/82/09/780018209.db2.gz XHEXQZLLQAHYIS-JQWIXIFHSA-N 2 2 269.345 -1.094 20 0 CAADLP C[C@H]1CN(C2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)C[C@H](C)O1 ZINC001161500310 780018655 /nfs/dbraw/zinc/01/86/55/780018655.db2.gz VUNZXDJHPRVBIP-KQXIARHKSA-N 2 2 282.388 -1.004 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499789 780019251 /nfs/dbraw/zinc/01/92/51/780019251.db2.gz IIHGDHSTJNASPE-UWVGGRQHSA-N 3 2 265.317 -1.534 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499790 780019609 /nfs/dbraw/zinc/01/96/09/780019609.db2.gz IIHGDHSTJNASPE-VHSXEESVSA-N 3 2 265.317 -1.534 20 0 CAADLP C[C@@H]1CN(C2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)C[C@@H](C)O1 ZINC001161500311 780019685 /nfs/dbraw/zinc/01/96/85/780019685.db2.gz VUNZXDJHPRVBIP-UZWSLXQKSA-N 2 2 282.388 -1.004 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CC12COC2 ZINC001161507766 780019772 /nfs/dbraw/zinc/01/97/72/780019772.db2.gz AHDKCSXDGBBNQK-SECBINFHSA-N 3 2 254.334 -1.747 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C2)C1 ZINC001161532442 780020620 /nfs/dbraw/zinc/02/06/20/780020620.db2.gz TYFXMNBCIWZKBS-GARJFASQSA-N 3 2 250.346 -1.290 20 0 CAADLP COCCOC1CN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161572747 780022571 /nfs/dbraw/zinc/02/25/71/780022571.db2.gz XUXWUEHDFUZTQC-UHFFFAOYSA-N 2 2 257.334 -1.059 20 0 CAADLP COCCOC1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161571980 780022587 /nfs/dbraw/zinc/02/25/87/780022587.db2.gz YFNOPYAZVWVELJ-GXFFZTMASA-N 2 2 269.345 -1.188 20 0 CAADLP COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161567320 780023359 /nfs/dbraw/zinc/02/33/59/780023359.db2.gz WXDNGJXMOTVLAJ-MXWKQRLJSA-N 2 2 285.344 -1.144 20 0 CAADLP NC(=O)C[N@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC001162210869 780030163 /nfs/dbraw/zinc/03/01/63/780030163.db2.gz MYGITVWNTTYCSQ-UHFFFAOYSA-N 2 2 264.333 -1.067 20 0 CAADLP NC(=O)C[N@@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC001162210869 780030156 /nfs/dbraw/zinc/03/01/56/780030156.db2.gz MYGITVWNTTYCSQ-UHFFFAOYSA-N 2 2 264.333 -1.067 20 0 CAADLP Cc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc(N(C)C)[nH+]1 ZINC001162435189 780031789 /nfs/dbraw/zinc/03/17/89/780031789.db2.gz BJAMQTKVRBQIRI-SDDRHHMPSA-N 2 2 278.364 -1.652 20 0 CAADLP Cc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc(N(C)C)[nH+]1 ZINC001162435186 780032014 /nfs/dbraw/zinc/03/20/14/780032014.db2.gz BJAMQTKVRBQIRI-GRYCIOLGSA-N 2 2 278.364 -1.652 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncnc3c2C[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162437690 780037173 /nfs/dbraw/zinc/03/71/73/780037173.db2.gz CPIPNKCPNMOKEA-NGZCFLSTSA-N 2 2 262.321 -2.423 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncnc3c2C[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162437687 780038119 /nfs/dbraw/zinc/03/81/19/780038119.db2.gz CPIPNKCPNMOKEA-IQJOONFLSA-N 2 2 262.321 -2.423 20 0 CAADLP NC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594407 780059304 /nfs/dbraw/zinc/05/93/04/780059304.db2.gz YCSIIDLPLKLHJB-UHFFFAOYSA-N 2 2 253.306 -1.146 20 0 CAADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[C@@H](O)[C@@H]2O1 ZINC001205946196 780107765 /nfs/dbraw/zinc/10/77/65/780107765.db2.gz JVLJIGDKTWWRMT-ZSOJELSESA-N 2 2 288.344 -1.382 20 0 CAADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[C@@H](O)[C@@H]2O1 ZINC001205946196 780107770 /nfs/dbraw/zinc/10/77/70/780107770.db2.gz JVLJIGDKTWWRMT-ZSOJELSESA-N 2 2 288.344 -1.382 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370637 780144058 /nfs/dbraw/zinc/14/40/58/780144058.db2.gz MCEIRLVGUPCNOY-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213370637 780144063 /nfs/dbraw/zinc/14/40/63/780144063.db2.gz MCEIRLVGUPCNOY-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374490 780144665 /nfs/dbraw/zinc/14/46/65/780144665.db2.gz IWAVIFDZBPLEHZ-HBNTYKKESA-N 2 2 286.376 -1.373 20 0 CAADLP CO[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374490 780144671 /nfs/dbraw/zinc/14/46/71/780144671.db2.gz IWAVIFDZBPLEHZ-HBNTYKKESA-N 2 2 286.376 -1.373 20 0 CAADLP Cn1cnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ncnc1-2 ZINC001218495766 780166017 /nfs/dbraw/zinc/16/60/17/780166017.db2.gz XIBQHTVLWYGVJG-RQJHMYQMSA-N 2 2 261.289 -1.057 20 0 CAADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n2ncnc2n1 ZINC001218531341 780168284 /nfs/dbraw/zinc/16/82/84/780168284.db2.gz GPYMQMLUJMKHKL-YUMQZZPRSA-N 2 2 261.289 -1.082 20 0 CAADLP Cc1[nH][nH]c2ncnc(=NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1-2 ZINC001218529183 780169257 /nfs/dbraw/zinc/16/92/57/780169257.db2.gz YZBHMVHOKGZISV-ZETCQYMHSA-N 2 2 295.372 -1.007 20 0 CAADLP Cc1noc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1C(N)=O ZINC001218551727 780169885 /nfs/dbraw/zinc/16/98/85/780169885.db2.gz TZKVVQKELNSHGT-WDSKDSINSA-N 2 2 253.262 -1.433 20 0 CAADLP Cn1ncc2c1ncnc2NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218557000 780170246 /nfs/dbraw/zinc/17/02/46/780170246.db2.gz FELITQUIVKZQHM-XPUUQOCRSA-N 2 2 261.289 -1.152 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c[nH]nc1C(N)=O ZINC001218564627 780170330 /nfs/dbraw/zinc/17/03/30/780170330.db2.gz LPWTUIKELPKOEY-ZETCQYMHSA-N 2 2 277.288 -1.249 20 0 CAADLP C[NH+]1CCN(c2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ncn2)CC1 ZINC001218572225 780172105 /nfs/dbraw/zinc/17/21/05/780172105.db2.gz HBSYFZKPYKMSOQ-JTQLQIEISA-N 3 2 293.375 -1.157 20 0 CAADLP COC(=O)c1cncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218579276 780173131 /nfs/dbraw/zinc/17/31/31/780173131.db2.gz BKUHGLNZVCGAEP-RQJHMYQMSA-N 2 2 265.273 -1.109 20 0 CAADLP NC(=O)c1nccnc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218617593 780175005 /nfs/dbraw/zinc/17/50/05/780175005.db2.gz JAKXIHLVEMBSLV-WDSKDSINSA-N 2 2 250.262 -1.939 20 0 CAADLP COC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001218610990 780175054 /nfs/dbraw/zinc/17/50/54/780175054.db2.gz QSXUUKFUWBSUCA-QMMMGPOBSA-N 2 2 255.278 -1.329 20 0 CAADLP NC(=O)c1nccnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218618557 780177245 /nfs/dbraw/zinc/17/72/45/780177245.db2.gz RHLYLULOSGMJDQ-UHFFFAOYSA-N 2 2 278.316 -1.144 20 0 CAADLP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1COCC[NH2+]1 ZINC001218640630 780177850 /nfs/dbraw/zinc/17/78/50/780177850.db2.gz LQCYTFXSOGSRDR-JTQLQIEISA-N 2 2 251.290 -1.046 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640135 780178337 /nfs/dbraw/zinc/17/83/37/780178337.db2.gz FRCFGXHILCDHQT-UWVGGRQHSA-N 3 2 250.306 -1.487 20 0 CAADLP COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218639567 780178671 /nfs/dbraw/zinc/17/86/71/780178671.db2.gz HTBIKKJAINKFAN-BQBZGAKWSA-N 2 2 267.289 -1.010 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641375 780179024 /nfs/dbraw/zinc/17/90/24/780179024.db2.gz PUKIPCHVQYOGJA-VIFPVBQESA-N 2 2 267.289 -1.144 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218670244 780179420 /nfs/dbraw/zinc/17/94/20/780179420.db2.gz BTWYSKDILKWKQS-VKHMYHEASA-N 2 2 256.222 -1.100 20 0 CAADLP [NH3+]C[C@H](O)CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218669765 780180272 /nfs/dbraw/zinc/18/02/72/780180272.db2.gz WBLPLMHXJZWZAM-GFCCVEGCSA-N 2 2 297.359 -1.137 20 0 CAADLP Nc1cn(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)ccc1=[NH2+] ZINC001218693478 780181425 /nfs/dbraw/zinc/18/14/25/780181425.db2.gz MCJVBYUPMBYKCL-LBPRGKRZSA-N 3 2 278.360 -1.060 20 0 CAADLP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218743617 780182339 /nfs/dbraw/zinc/18/23/39/780182339.db2.gz VHTHUZRWMFVQRY-YFKPBYRVSA-N 2 2 258.713 -1.035 20 0 CAADLP NS(=O)(=O)c1cncc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218750902 780184686 /nfs/dbraw/zinc/18/46/86/780184686.db2.gz MPXRLYQLTLJHMZ-UHFFFAOYSA-N 2 2 299.356 -1.252 20 0 CAADLP CCc1c(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C(N)=O)nn1C ZINC001218787863 780184824 /nfs/dbraw/zinc/18/48/24/780184824.db2.gz HUIZNHBTHJCBEZ-LURJTMIESA-N 2 2 268.321 -1.304 20 0 CAADLP NC(=O)c1cc(O)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219441567 780222098 /nfs/dbraw/zinc/22/20/98/780222098.db2.gz JFAHTPZSFWRFFA-UWVGGRQHSA-N 2 2 264.285 -1.024 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1COCC[NH2+]1 ZINC001219595633 780235736 /nfs/dbraw/zinc/23/57/36/780235736.db2.gz IZPWKJFMNGCLPU-ZETCQYMHSA-N 2 2 251.308 -2.278 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219694123 780248484 /nfs/dbraw/zinc/24/84/84/780248484.db2.gz FPGLPVPWMNFVGM-UWVGGRQHSA-N 3 2 276.406 -1.548 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550558 780228434 /nfs/dbraw/zinc/22/84/34/780228434.db2.gz CNMHINWTEDUUKB-MXWKQRLJSA-N 2 2 282.344 -1.116 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550558 780228439 /nfs/dbraw/zinc/22/84/39/780228439.db2.gz CNMHINWTEDUUKB-MXWKQRLJSA-N 2 2 282.344 -1.116 20 0 CAADLP COCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219557457 780229877 /nfs/dbraw/zinc/22/98/77/780229877.db2.gz AMZVGBHYXNYQIZ-LLVKDONJSA-N 2 2 258.366 -1.111 20 0 CAADLP NC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219561767 780230613 /nfs/dbraw/zinc/23/06/13/780230613.db2.gz OWLLPZJDMHTQIK-UWVGGRQHSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219561767 780230621 /nfs/dbraw/zinc/23/06/21/780230621.db2.gz OWLLPZJDMHTQIK-UWVGGRQHSA-N 2 2 254.334 -1.338 20 0 CAADLP O=C(NCCn1cc[nH+]c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219563722 780231690 /nfs/dbraw/zinc/23/16/90/780231690.db2.gz JNSJYRBEFOSZSR-SNVBAGLBSA-N 2 2 265.317 -1.670 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCN2CCCCC2=O)C1 ZINC001219569101 780232264 /nfs/dbraw/zinc/23/22/64/780232264.db2.gz BLJDLZIMSQMEHR-ZJUUUORDSA-N 2 2 254.334 -1.196 20 0 CAADLP O=C(NCCn1ccnn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219565616 780232274 /nfs/dbraw/zinc/23/22/74/780232274.db2.gz KUNCWXJESAXNOC-LPEHRKFASA-N 2 2 250.306 -1.656 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC001219563675 780232500 /nfs/dbraw/zinc/23/25/00/780232500.db2.gz HAZYYPCXDHRPKD-UHFFFAOYSA-N 2 2 289.361 -1.780 20 0 CAADLP [NH3+]C1(C(=O)NCCC(=O)N2CCOCC2)CC[NH2+]CC1 ZINC001219573860 780233516 /nfs/dbraw/zinc/23/35/16/780233516.db2.gz ZDFZMKHLKURRLL-UHFFFAOYSA-N 2 2 284.360 -1.568 20 0 CAADLP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[NH2+]1 ZINC001219582361 780233684 /nfs/dbraw/zinc/23/36/84/780233684.db2.gz CEWAWWGLTFROLI-FXQIFTODSA-N 2 2 253.310 -1.674 20 0 CAADLP O=C(CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)N1CCOCC1 ZINC001219573683 780233821 /nfs/dbraw/zinc/23/38/21/780233821.db2.gz QURWCPRAGGFVIC-SMDDNHRTSA-N 2 2 296.371 -1.697 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC001219573811 780234433 /nfs/dbraw/zinc/23/44/33/780234433.db2.gz WVWPRPYDGCHLGP-UWVGGRQHSA-N 2 2 270.333 -2.102 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001219593831 780235181 /nfs/dbraw/zinc/23/51/81/780235181.db2.gz LRDYROYWBVQIKS-SSDOTTSWSA-N 2 2 295.365 -2.491 20 0 CAADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595465 780235438 /nfs/dbraw/zinc/23/54/38/780235438.db2.gz BDIAYVGGELXMRJ-JTQLQIEISA-N 3 2 294.421 -1.208 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001219595590 780235630 /nfs/dbraw/zinc/23/56/30/780235630.db2.gz HBGYJNHADZKDBH-RTBKNWGFSA-N 2 2 293.389 -1.388 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H](CO)n1cc[nH+]c1 ZINC001219616056 780238205 /nfs/dbraw/zinc/23/82/05/780238205.db2.gz NICUGXFJTKKSMR-JFGNBEQYSA-N 2 2 286.307 -1.405 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614066 780238219 /nfs/dbraw/zinc/23/82/19/780238219.db2.gz RANWQGQGYQZWGK-ACLDMZEESA-N 3 2 266.267 -1.056 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614067 780238244 /nfs/dbraw/zinc/23/82/44/780238244.db2.gz RANWQGQGYQZWGK-ZKWXMUAHSA-N 3 2 266.267 -1.056 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219615824 780238476 /nfs/dbraw/zinc/23/84/76/780238476.db2.gz FGCZURXUCHRMGN-MHYGZLNHSA-N 2 2 287.299 -2.752 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219617745 780239843 /nfs/dbraw/zinc/23/98/43/780239843.db2.gz OSIJMXCBOYRVBQ-YRRQLQLVSA-N 3 2 286.351 -1.883 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCN1CCCCO1 ZINC001219632837 780243396 /nfs/dbraw/zinc/24/33/96/780243396.db2.gz QWMABGFHEGWHFX-CYBMUJFWSA-N 2 2 299.419 -1.120 20 0 CAADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219635318 780244095 /nfs/dbraw/zinc/24/40/95/780244095.db2.gz AMLXZFDFBQIXBE-AJBSGBCOSA-N 3 2 256.325 -1.248 20 0 CAADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001219641579 780244810 /nfs/dbraw/zinc/24/48/10/780244810.db2.gz JDURMBISEVOPCN-GHMZBOCLSA-N 2 2 268.361 -1.220 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638582 780245379 /nfs/dbraw/zinc/24/53/79/780245379.db2.gz NLTXATWSZYJADW-DLOVCJGASA-N 3 2 287.383 -1.447 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219642263 780245470 /nfs/dbraw/zinc/24/54/70/780245470.db2.gz QUGMVCKYCRMGDQ-YIZRAAEISA-N 2 2 267.337 -1.569 20 0 CAADLP CCOC(=O)c1nc[nH]c1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219676676 780247410 /nfs/dbraw/zinc/24/74/10/780247410.db2.gz SOVIKMVUANEPLK-YUMQZZPRSA-N 2 2 281.316 -1.251 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219694123 780248473 /nfs/dbraw/zinc/24/84/73/780248473.db2.gz FPGLPVPWMNFVGM-UWVGGRQHSA-N 3 2 276.406 -1.548 20 0 CAADLP CCOC(=O)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219693097 780248349 /nfs/dbraw/zinc/24/83/49/780248349.db2.gz NMWQYKVDCHMOMP-LLVKDONJSA-N 2 2 286.376 -1.194 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219694130 780248394 /nfs/dbraw/zinc/24/83/94/780248394.db2.gz FPGLPVPWMNFVGM-ZJUUUORDSA-N 3 2 276.406 -1.548 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219694130 780248397 /nfs/dbraw/zinc/24/83/97/780248397.db2.gz FPGLPVPWMNFVGM-ZJUUUORDSA-N 3 2 276.406 -1.548 20 0 CAADLP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[NH2+]1 ZINC001219685240 780248734 /nfs/dbraw/zinc/24/87/34/780248734.db2.gz XWLACRJSIPRJCR-PRJMDXOYSA-N 2 2 253.310 -1.816 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695255 780249922 /nfs/dbraw/zinc/24/99/22/780249922.db2.gz SKOGGJONBJKWIK-VIFPVBQESA-N 3 2 253.306 -1.880 20 0 CAADLP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219696202 780249970 /nfs/dbraw/zinc/24/99/70/780249970.db2.gz CCJDNQSHZDXRIE-SKDRFNHKSA-N 3 2 254.334 -2.222 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695230 780250001 /nfs/dbraw/zinc/25/00/01/780250001.db2.gz RUKPYRZGNORIFX-CHWSQXEVSA-N 3 2 299.419 -1.816 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695230 780250004 /nfs/dbraw/zinc/25/00/04/780250004.db2.gz RUKPYRZGNORIFX-CHWSQXEVSA-N 3 2 299.419 -1.816 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695223 780250279 /nfs/dbraw/zinc/25/02/79/780250279.db2.gz RQFBBJDSGMLUBQ-LURJTMIESA-N 2 2 255.282 -3.090 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695824 780250458 /nfs/dbraw/zinc/25/04/58/780250458.db2.gz ZJKZBSUIIYHSCB-AEJSXWLSSA-N 2 2 288.348 -2.743 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695824 780250461 /nfs/dbraw/zinc/25/04/61/780250461.db2.gz ZJKZBSUIIYHSCB-AEJSXWLSSA-N 2 2 288.348 -2.743 20 0 CAADLP O=C(NCCC1(O)C[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219696201 780250491 /nfs/dbraw/zinc/25/04/91/780250491.db2.gz CCJDNQSHZDXRIE-JOYOIKCWSA-N 3 2 254.334 -2.222 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694163 780250504 /nfs/dbraw/zinc/25/05/04/780250504.db2.gz FYWLTHRDFSEARF-VXGBXAGGSA-N 3 2 270.377 -1.240 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694163 780250513 /nfs/dbraw/zinc/25/05/13/780250513.db2.gz FYWLTHRDFSEARF-VXGBXAGGSA-N 3 2 270.377 -1.240 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219695748 780250730 /nfs/dbraw/zinc/25/07/30/780250730.db2.gz XRBVHCHTPFWATP-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219695748 780250739 /nfs/dbraw/zinc/25/07/39/780250739.db2.gz XRBVHCHTPFWATP-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695233 780250829 /nfs/dbraw/zinc/25/08/29/780250829.db2.gz RUKPYRZGNORIFX-QWHCGFSZSA-N 3 2 299.419 -1.816 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695233 780250836 /nfs/dbraw/zinc/25/08/36/780250836.db2.gz RUKPYRZGNORIFX-QWHCGFSZSA-N 3 2 299.419 -1.816 20 0 CAADLP CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nc1 ZINC001219716316 780251925 /nfs/dbraw/zinc/25/19/25/780251925.db2.gz KKXSIOFSYZFAMS-KCJUWKMLSA-N 2 2 298.368 -1.210 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219739945 780254145 /nfs/dbraw/zinc/25/41/45/780254145.db2.gz YZKMHYOGVPJUKL-GUBZILKMSA-N 3 2 254.334 -1.830 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737086 780254760 /nfs/dbraw/zinc/25/47/60/780254760.db2.gz OLBQACUGMCDGQH-RYUDHWBXSA-N 3 2 293.371 -1.215 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737511 780254980 /nfs/dbraw/zinc/25/49/80/780254980.db2.gz XWGVRGYNSXTCFA-QWRGUYRKSA-N 3 2 279.344 -1.226 20 0 CAADLP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219737276 780255025 /nfs/dbraw/zinc/25/50/25/780255025.db2.gz RUPKCBQVZRMEOA-MJVIPROJSA-N 3 2 280.372 -1.567 20 0 CAADLP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219737278 780255655 /nfs/dbraw/zinc/25/56/55/780255655.db2.gz RUPKCBQVZRMEOA-UHIISALHSA-N 3 2 280.372 -1.567 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219739944 780255940 /nfs/dbraw/zinc/25/59/40/780255940.db2.gz YZKMHYOGVPJUKL-AEJSXWLSSA-N 3 2 254.334 -1.830 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737512 780255953 /nfs/dbraw/zinc/25/59/53/780255953.db2.gz XWGVRGYNSXTCFA-WDEREUQCSA-N 3 2 279.344 -1.226 20 0 CAADLP Nc1nc(=O)c(F)cn1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219741341 780256789 /nfs/dbraw/zinc/25/67/89/780256789.db2.gz HLTWVBBQEXNZJZ-VIFPVBQESA-N 2 2 298.322 -1.402 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744219 780257016 /nfs/dbraw/zinc/25/70/16/780257016.db2.gz VFTXTFXPESLPRW-SRVKXCTJSA-N 3 2 282.388 -1.050 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750280 780257167 /nfs/dbraw/zinc/25/71/67/780257167.db2.gz ZWVPWNSXIDBEQX-QMMMGPOBSA-N 3 2 267.337 -1.936 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744220 780257179 /nfs/dbraw/zinc/25/71/79/780257179.db2.gz VFTXTFXPESLPRW-WOPDTQHZSA-N 3 2 282.388 -1.050 20 0 CAADLP Nc1nc(=O)c(F)cn1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219741340 780257319 /nfs/dbraw/zinc/25/73/19/780257319.db2.gz HLTWVBBQEXNZJZ-SECBINFHSA-N 2 2 298.322 -1.402 20 0 CAADLP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1COC[NH2+]1 ZINC001219764876 780258773 /nfs/dbraw/zinc/25/87/73/780258773.db2.gz NWAYCTGKMXUFQP-VWYCJHECSA-N 2 2 254.334 -1.658 20 0 CAADLP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1COC[NH2+]1 ZINC001219764876 780258780 /nfs/dbraw/zinc/25/87/80/780258780.db2.gz NWAYCTGKMXUFQP-VWYCJHECSA-N 2 2 254.334 -1.658 20 0 CAADLP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1COC[NH2+]1 ZINC001219764876 780258786 /nfs/dbraw/zinc/25/87/86/780258786.db2.gz NWAYCTGKMXUFQP-VWYCJHECSA-N 2 2 254.334 -1.658 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773180 780260782 /nfs/dbraw/zinc/26/07/82/780260782.db2.gz MVQPWMPXJQRXFJ-VIFPVBQESA-N 2 2 279.348 -1.282 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1 ZINC001219799730 780260929 /nfs/dbraw/zinc/26/09/29/780260929.db2.gz BISQTPMHVHNBKQ-DCAQKATOSA-N 3 2 268.361 -1.440 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1 ZINC001219799729 780261295 /nfs/dbraw/zinc/26/12/95/780261295.db2.gz BISQTPMHVHNBKQ-AXFHLTTASA-N 3 2 268.361 -1.440 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1 ZINC001219799732 780261475 /nfs/dbraw/zinc/26/14/75/780261475.db2.gz BISQTPMHVHNBKQ-VWYCJHECSA-N 3 2 268.361 -1.440 20 0 CAADLP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219812906 780262630 /nfs/dbraw/zinc/26/26/30/780262630.db2.gz KOVIMGHWZFNURD-XWUBHJNHSA-N 3 2 280.372 -1.710 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1COC[NH2+]1 ZINC001219810012 780262731 /nfs/dbraw/zinc/26/27/31/780262731.db2.gz ZHHWXYSYMDKKOZ-VIFPVBQESA-N 2 2 252.274 -1.118 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812450 780262934 /nfs/dbraw/zinc/26/29/34/780262934.db2.gz BKVMUGCEEXUDMN-AUTRQRHGSA-N 2 2 271.317 -1.771 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2noc3c2C[NH2+]CC3)C1 ZINC001219810918 780263122 /nfs/dbraw/zinc/26/31/22/780263122.db2.gz HCGPJRIGGHRPJO-APPZFPTMSA-N 3 2 265.317 -1.374 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219809996 780263185 /nfs/dbraw/zinc/26/31/85/780263185.db2.gz YNYSGKXWMPPBNB-YMTOWFKASA-N 3 2 291.355 -1.112 20 0 CAADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800713 780263369 /nfs/dbraw/zinc/26/33/69/780263369.db2.gz UPQUBNZFKFBCRI-UPJWGTAASA-N 2 2 295.387 -1.006 20 0 CAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800713 780263374 /nfs/dbraw/zinc/26/33/74/780263374.db2.gz UPQUBNZFKFBCRI-UPJWGTAASA-N 2 2 295.387 -1.006 20 0 CAADLP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219831498 780263956 /nfs/dbraw/zinc/26/39/56/780263956.db2.gz NDJXMINTBQLBOV-MPLKPFFPSA-N 3 2 280.372 -1.569 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831411 780264007 /nfs/dbraw/zinc/26/40/07/780264007.db2.gz JWDNZZSJZGQIIX-HXFLIBJXSA-N 2 2 281.320 -2.437 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813101 780264187 /nfs/dbraw/zinc/26/41/87/780264187.db2.gz OAZHNRRFIVNWQB-NDMJEZRESA-N 3 2 279.344 -1.368 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831601 780264232 /nfs/dbraw/zinc/26/42/32/780264232.db2.gz QDVVXYSKEQUPRX-XEZLXBQYSA-N 3 2 293.371 -1.217 20 0 CAADLP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219813638 780264392 /nfs/dbraw/zinc/26/43/92/780264392.db2.gz YBFUXCJLOKTHAN-GCQYFTOKSA-N 3 2 280.372 -1.712 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831192 780264695 /nfs/dbraw/zinc/26/46/95/780264695.db2.gz AVVCDYPLXBYCER-IMSYWVGJSA-N 2 2 271.317 -1.630 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837063 780266479 /nfs/dbraw/zinc/26/64/79/780266479.db2.gz HCBVEGOOOYRZSM-ZJQBRPOHSA-N 3 2 298.387 -1.813 20 0 CAADLP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219850195 780267444 /nfs/dbraw/zinc/26/74/44/780267444.db2.gz NNAGNIMWSHVVJJ-GGAZOKNXSA-N 3 2 294.399 -1.321 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847787 780268021 /nfs/dbraw/zinc/26/80/21/780268021.db2.gz SFRUUYAKHNQCLL-FIQHERPVSA-N 3 2 279.344 -1.085 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847279 780268349 /nfs/dbraw/zinc/26/83/49/780268349.db2.gz BRGDKKIAOMYYOX-AJBSGBCOSA-N 3 2 254.334 -1.831 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839216 780268510 /nfs/dbraw/zinc/26/85/10/780268510.db2.gz YFJIZDCIWIDBHH-UHXUPSOCSA-N 3 2 298.387 -1.956 20 0 CAADLP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219854489 780268953 /nfs/dbraw/zinc/26/89/53/780268953.db2.gz KCDDTSWZPPGDFU-HMUNZLOLSA-N 3 2 266.345 -1.959 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851712 780269335 /nfs/dbraw/zinc/26/93/35/780269335.db2.gz BPCGPYSEXPNRNS-KZZRWZIVSA-N 3 2 268.361 -1.584 20 0 CAADLP [NH3+]C1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC001219852752 780269783 /nfs/dbraw/zinc/26/97/83/780269783.db2.gz YPUJQDBFIXMMEC-SDDRHHMPSA-N 3 2 282.388 -1.192 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854888 780269905 /nfs/dbraw/zinc/26/99/05/780269905.db2.gz ZSSKPKBPRVIXDP-RYPBNFRJSA-N 2 2 257.290 -2.020 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854740 780270051 /nfs/dbraw/zinc/27/00/51/780270051.db2.gz SBINAHOXRLNQHN-VPOLOUISSA-N 3 2 265.317 -1.618 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H](C)O ZINC001219879351 780270645 /nfs/dbraw/zinc/27/06/45/780270645.db2.gz DKCCEJNZSOQUSB-XBWDGYHZSA-N 2 2 271.317 -2.024 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H](C)O ZINC001219879717 780271516 /nfs/dbraw/zinc/27/15/16/780271516.db2.gz LQXUDWRYDDZUGL-KBDSZGMXSA-N 2 2 271.317 -2.025 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H](C)O ZINC001219879349 780271904 /nfs/dbraw/zinc/27/19/04/780271904.db2.gz DKCCEJNZSOQUSB-JDVQERKKSA-N 2 2 271.317 -2.024 20 0 CAADLP COC(=O)[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)[C@@H](C)O ZINC001219879903 780272006 /nfs/dbraw/zinc/27/20/06/780272006.db2.gz PCYRNHOTCPJBFM-SFYZADRCSA-N 2 2 259.306 -1.894 20 0 CAADLP CCOC(=O)CC(=N)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219882388 780273303 /nfs/dbraw/zinc/27/33/03/780273303.db2.gz FJLHYTCZFZBTCR-PELKAZGASA-N 2 2 268.317 -1.015 20 0 CAADLP Cn1cc2c(n1)[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])OCC2 ZINC001219887703 780273382 /nfs/dbraw/zinc/27/33/82/780273382.db2.gz HAVPSFIBWBCVNF-GARJFASQSA-N 2 2 279.344 -1.303 20 0 CAADLP CCOC(=O)CC(=N)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219882389 780273531 /nfs/dbraw/zinc/27/35/31/780273531.db2.gz FJLHYTCZFZBTCR-PRHODGIISA-N 2 2 268.317 -1.015 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001219890151 780274076 /nfs/dbraw/zinc/27/40/76/780274076.db2.gz FQDWNBVGXNKCAP-GWCFXTLKSA-N 2 2 266.345 -1.196 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219890319 780274492 /nfs/dbraw/zinc/27/44/92/780274492.db2.gz GUDXCNVLOCCZOL-AXMVNOCNSA-N 2 2 278.356 -1.055 20 0 CAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219919087 780276859 /nfs/dbraw/zinc/27/68/59/780276859.db2.gz XCPZMGNYIIWWAQ-LBPRGKRZSA-N 3 2 266.345 -1.043 20 0 CAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219919086 780277386 /nfs/dbraw/zinc/27/73/86/780277386.db2.gz XCPZMGNYIIWWAQ-GFCCVEGCSA-N 3 2 266.345 -1.043 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219961773 780277563 /nfs/dbraw/zinc/27/75/63/780277563.db2.gz VZYKWRRTIGOVMS-PSASIEDQSA-N 2 2 276.362 -2.397 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC[NH2+]CCO ZINC001219918215 780277682 /nfs/dbraw/zinc/27/76/82/780277682.db2.gz HVUDJZWCRONGQK-LLVKDONJSA-N 3 2 273.381 -2.565 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219961774 780277764 /nfs/dbraw/zinc/27/77/64/780277764.db2.gz VZYKWRRTIGOVMS-SCZZXKLOSA-N 2 2 276.362 -2.397 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945223 780279014 /nfs/dbraw/zinc/27/90/14/780279014.db2.gz DSRZUMJBJVYTQA-SCZZXKLOSA-N 2 2 284.341 -1.283 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945569 780279634 /nfs/dbraw/zinc/27/96/34/780279634.db2.gz MZMRLCVEORIGEE-SNVBAGLBSA-N 2 2 273.358 -1.245 20 0 CAADLP Cc1nonc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219948209 780280543 /nfs/dbraw/zinc/28/05/43/780280543.db2.gz ORKPXZJHIQDDRV-KWQFWETISA-N 2 2 251.290 -1.054 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959362 780281084 /nfs/dbraw/zinc/28/10/84/780281084.db2.gz RSCJHXDSCQGWDC-APPZFPTMSA-N 2 2 251.290 -1.326 20 0 CAADLP Cc1c[nH]c(CCNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[nH+]1 ZINC001219952310 780281215 /nfs/dbraw/zinc/28/12/15/780281215.db2.gz RZNBYNLUIHWJKE-JTQLQIEISA-N 2 2 279.344 -1.293 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219961406 780282410 /nfs/dbraw/zinc/28/24/10/780282410.db2.gz JNMUZUZJVMUNTE-RQJHMYQMSA-N 2 2 250.324 -2.659 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C[NH2+]1 ZINC001219965419 780282554 /nfs/dbraw/zinc/28/25/54/780282554.db2.gz MWDWZTRUQBCTMS-FKOSXZIQSA-N 2 2 291.373 -1.898 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001219965439 780282604 /nfs/dbraw/zinc/28/26/04/780282604.db2.gz NTNRDAKUDOXXPR-ZJDVBMNYSA-N 2 2 253.302 -1.529 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[NH2+]1 ZINC001219965383 780282619 /nfs/dbraw/zinc/28/26/19/780282619.db2.gz LEAVMTIIQDRZBE-BGZDPUMWSA-N 2 2 257.290 -2.271 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C[NH2+]1 ZINC001219965087 780282804 /nfs/dbraw/zinc/28/28/04/780282804.db2.gz BFJRGJBOADBHNM-UTLUCORTSA-N 3 2 272.349 -1.538 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[NH2+]1 ZINC001219965384 780282837 /nfs/dbraw/zinc/28/28/37/780282837.db2.gz LEAVMTIIQDRZBE-XGEHTFHBSA-N 2 2 257.290 -2.271 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCN2)C[NH2+]1 ZINC001219965336 780282878 /nfs/dbraw/zinc/28/28/78/780282878.db2.gz JTNPPTCFBWBNHM-HRDYMLBCSA-N 2 2 256.306 -2.433 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[NH2+]1 ZINC001219965589 780283061 /nfs/dbraw/zinc/28/30/61/780283061.db2.gz SWDATRPPRKJASF-KXUCPTDWSA-N 2 2 298.343 -2.664 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[NH2+]1 ZINC001219965590 780283502 /nfs/dbraw/zinc/28/35/02/780283502.db2.gz SWDATRPPRKJASF-UTLUCORTSA-N 2 2 298.343 -2.664 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[NH2+]1 ZINC001219965417 780283541 /nfs/dbraw/zinc/28/35/41/780283541.db2.gz MRCMCPJTLIDTAL-NJBDSQKTSA-N 3 2 296.371 -1.795 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001219967792 780283776 /nfs/dbraw/zinc/28/37/76/780283776.db2.gz JWYOMBHRRLLCBC-IMSYWVGJSA-N 2 2 273.308 -1.046 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[NH2+]1 ZINC001219965748 780283788 /nfs/dbraw/zinc/28/37/88/780283788.db2.gz ZIVUPZISJOBTMF-HPENLJRUSA-N 2 2 282.344 -2.044 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]2(N)CC[NH2+]C2)C[NH2+]1 ZINC001219967715 780283931 /nfs/dbraw/zinc/28/39/31/780283931.db2.gz HEPMTRVWNIZYLV-FYBVGQRMSA-N 2 2 256.306 -2.303 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C[NH2+]1 ZINC001219967601 780284071 /nfs/dbraw/zinc/28/40/71/780284071.db2.gz BQCJJNKSPQNWSY-VGMNWLOBSA-N 3 2 290.389 -1.975 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C[NH2+]1 ZINC001219967893 780284420 /nfs/dbraw/zinc/28/44/20/780284420.db2.gz NUTUOBUFCGMHOF-BBBLOLIVSA-N 2 2 271.317 -1.615 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCCc2c[nH][nH]c2=O)C1 ZINC001219969533 780284706 /nfs/dbraw/zinc/28/47/06/780284706.db2.gz DHZULPXOZQIELE-HLTSFMKQSA-N 2 2 253.306 -1.696 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@]2(N)CC[NH2+]C2)C[NH2+]1 ZINC001219967716 780285064 /nfs/dbraw/zinc/28/50/64/780285064.db2.gz HEPMTRVWNIZYLV-VHSKPIJISA-N 2 2 256.306 -2.303 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)NC2CCCC2)C1 ZINC001219976830 780285800 /nfs/dbraw/zinc/28/58/00/780285800.db2.gz OGQBKBJGDIGEEP-SCZZXKLOSA-N 2 2 254.334 -1.149 20 0 CAADLP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[NH2+]CC1 ZINC001219999212 780287397 /nfs/dbraw/zinc/28/73/97/780287397.db2.gz NKIHINRHVDKDRA-HZMBPMFUSA-N 3 2 296.371 -1.651 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001508 780287767 /nfs/dbraw/zinc/28/77/67/780287767.db2.gz RKNCNVHIPSXNDC-QMMMGPOBSA-N 2 2 287.316 -1.712 20 0 CAADLP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC[NH2+]CC1 ZINC001219998838 780287931 /nfs/dbraw/zinc/28/79/31/780287931.db2.gz CRULLMDIGZXNKA-SNVBAGLBSA-N 3 2 295.343 -1.309 20 0 CAADLP COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC[NH2+]CC1 ZINC001220000992 780287960 /nfs/dbraw/zinc/28/79/60/780287960.db2.gz BRBROPMXEGJUPS-IUCAKERBSA-N 3 2 270.333 -2.056 20 0 CAADLP Cn1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(N=O)c(=O)[nH]c1=O ZINC001219984532 780288009 /nfs/dbraw/zinc/28/80/09/780288009.db2.gz NHLKDDUAJJNFOS-UHNVWZDZSA-N 2 2 282.260 -1.489 20 0 CAADLP COC(=O)C1(NC(=O)C2([NH3+])CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001207 780288104 /nfs/dbraw/zinc/28/81/04/780288104.db2.gz LLZINGIHGGPEJJ-UHFFFAOYSA-N 3 2 284.360 -1.521 20 0 CAADLP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[NH2+]CC1 ZINC001219999214 780288120 /nfs/dbraw/zinc/28/81/20/780288120.db2.gz NKIHINRHVDKDRA-QMTHXVAHSA-N 3 2 296.371 -1.651 20 0 CAADLP CN1C[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)CCC1=O ZINC001220007313 780289363 /nfs/dbraw/zinc/28/93/63/780289363.db2.gz LJMUEWSBTBATHQ-SECBINFHSA-N 2 2 254.334 -1.196 20 0 CAADLP CCOC(=O)c1nnc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)o1 ZINC001220011158 780289611 /nfs/dbraw/zinc/28/96/11/780289611.db2.gz RAXIXSXPJUYEMO-RQJHMYQMSA-N 2 2 283.288 -1.448 20 0 CAADLP CCOC(=O)c1nnc(CNC(=O)C2([NH3+])CC[NH2+]CC2)o1 ZINC001220010978 780289786 /nfs/dbraw/zinc/28/97/86/780289786.db2.gz NSZYWBUDOSRZGF-UHFFFAOYSA-N 2 2 297.315 -1.057 20 0 CAADLP CN1C[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)CCC1=O ZINC001220007314 780290046 /nfs/dbraw/zinc/29/00/46/780290046.db2.gz LJMUEWSBTBATHQ-VIFPVBQESA-N 2 2 254.334 -1.196 20 0 CAADLP O=C(NC1(CO)CCOCC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220018900 780290694 /nfs/dbraw/zinc/29/06/94/780290694.db2.gz YOFLRFWIQUWWLZ-MFKMUULPSA-N 2 2 269.345 -1.404 20 0 CAADLP O=C(NC1(CO)CCOCC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220018898 780290727 /nfs/dbraw/zinc/29/07/27/780290727.db2.gz YOFLRFWIQUWWLZ-GWCFXTLKSA-N 2 2 269.345 -1.404 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CO)CCOCC1 ZINC001220016291 780290771 /nfs/dbraw/zinc/29/07/71/780290771.db2.gz JSIFTNGTJNUIAF-SNVBAGLBSA-N 2 2 268.317 -1.063 20 0 CAADLP N=c1cc(C[NH3+])ncn1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220020360 780291035 /nfs/dbraw/zinc/29/10/35/780291035.db2.gz GDVXZBUONWZJPV-SECBINFHSA-N 3 2 261.289 -1.245 20 0 CAADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC1C[NH+](C)C1 ZINC001220013231 780291543 /nfs/dbraw/zinc/29/15/43/780291543.db2.gz MEDUBAJLWOXQCM-JTQLQIEISA-N 2 2 256.350 -1.094 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220016837 780291767 /nfs/dbraw/zinc/29/17/67/780291767.db2.gz RHSRPALJWJWOCM-NSHDSACASA-N 2 2 282.344 -1.052 20 0 CAADLP O=C(NC1(CO)CCOCC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220018899 780291992 /nfs/dbraw/zinc/29/19/92/780291992.db2.gz YOFLRFWIQUWWLZ-GXFFZTMASA-N 2 2 269.345 -1.404 20 0 CAADLP CC(C)[C@](C)(NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220023383 780292518 /nfs/dbraw/zinc/29/25/18/780292518.db2.gz WUFBEOIUWDFBAE-RISCZKNCSA-N 2 2 299.419 -1.247 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020905 780292980 /nfs/dbraw/zinc/29/29/80/780292980.db2.gz ZKQCYFWIJUYZRA-JTQLQIEISA-N 3 2 275.316 -1.235 20 0 CAADLP CC(C)[C@@](C)(NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220023381 780293118 /nfs/dbraw/zinc/29/31/18/780293118.db2.gz WUFBEOIUWDFBAE-BXUZGUMPSA-N 2 2 299.419 -1.247 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1CCC(=O)NC1=O ZINC001220027957 780293935 /nfs/dbraw/zinc/29/39/35/780293935.db2.gz ILUZMJCKDBGTDJ-SECBINFHSA-N 2 2 268.317 -1.751 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CCOCC1 ZINC001220028159 780294451 /nfs/dbraw/zinc/29/44/51/780294451.db2.gz MDPXCOSVERYRBD-DCAQKATOSA-N 2 2 285.344 -1.383 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CCC(=O)NC1=O ZINC001220027958 780294874 /nfs/dbraw/zinc/29/48/74/780294874.db2.gz ILUZMJCKDBGTDJ-VIFPVBQESA-N 2 2 268.317 -1.751 20 0 CAADLP CC(C)(CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(N)=O ZINC001220034466 780295990 /nfs/dbraw/zinc/29/59/90/780295990.db2.gz ZPFAKLXHLSFRSB-RWYTXXIDSA-N 2 2 254.334 -1.164 20 0 CAADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220043126 780296356 /nfs/dbraw/zinc/29/63/56/780296356.db2.gz GBDSJPDIPJQFJV-UHFFFAOYSA-N 3 2 264.333 -1.149 20 0 CAADLP CC(C)(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(N)=O ZINC001220032794 780296699 /nfs/dbraw/zinc/29/66/99/780296699.db2.gz BTQNFCAOSWHHTR-XHNCKOQMSA-N 2 2 254.334 -1.436 20 0 CAADLP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(N)=O ZINC001220033172 780296714 /nfs/dbraw/zinc/29/67/14/780296714.db2.gz JLGCMLHGNMVNQZ-UFBFGSQYSA-N 2 2 254.334 -1.434 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)n1ccc(C[NH3+])cc1=N ZINC001220044893 780297401 /nfs/dbraw/zinc/29/74/01/780297401.db2.gz CWDMTNICEYOLFX-QMMMGPOBSA-N 2 2 252.274 -1.043 20 0 CAADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1COCC[NH2+]1 ZINC001220043487 780297477 /nfs/dbraw/zinc/29/74/77/780297477.db2.gz UNHYKQFQOXWTFR-VIFPVBQESA-N 2 2 251.290 -1.242 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066291 780299684 /nfs/dbraw/zinc/29/96/84/780299684.db2.gz XXTXRIOAMKSWLW-YUMQZZPRSA-N 2 2 279.300 -1.231 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053402 780299760 /nfs/dbraw/zinc/29/97/60/780299760.db2.gz KLBHTIGCHIEFAM-UTUOFQBUSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053402 780299767 /nfs/dbraw/zinc/29/97/67/780299767.db2.gz KLBHTIGCHIEFAM-UTUOFQBUSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NCc1nn[nH]n1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220073811 780301109 /nfs/dbraw/zinc/30/11/09/780301109.db2.gz KKCIPRFAAMVBEB-QMMMGPOBSA-N 2 2 265.321 -1.310 20 0 CAADLP C[NH2+]CCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220079366 780300781 /nfs/dbraw/zinc/30/07/81/780300781.db2.gz INNLKKHCGZXTFQ-LBPRGKRZSA-N 3 2 271.409 -1.147 20 0 CAADLP COC(=O)[C@H](CCSC)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220079509 780300912 /nfs/dbraw/zinc/30/09/12/780300912.db2.gz NYGHGOOWFFGHGX-CIUDSAMLSA-N 2 2 275.374 -1.056 20 0 CAADLP [NH3+]CCNCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189093 780318387 /nfs/dbraw/zinc/31/83/87/780318387.db2.gz LMRDLZNJFYQZKW-MRVPVSSYSA-N 2 2 250.293 -1.104 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101629 780302248 /nfs/dbraw/zinc/30/22/48/780302248.db2.gz VWQFDNCNSLLCSA-QMMMGPOBSA-N 3 2 259.310 -1.662 20 0 CAADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)Cc1nn[nH]n1 ZINC001220101631 780302261 /nfs/dbraw/zinc/30/22/61/780302261.db2.gz WCJVKIUUZYDULW-LURJTMIESA-N 2 2 269.313 -2.470 20 0 CAADLP Cn1cncc1C[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101508 780302366 /nfs/dbraw/zinc/30/23/66/780302366.db2.gz QNPMTYKMYBWMKF-JTQLQIEISA-N 3 2 281.364 -1.249 20 0 CAADLP CCOC(=O)C(F)(F)CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220097367 780302924 /nfs/dbraw/zinc/30/29/24/780302924.db2.gz VRFMPRQHXFXFRM-RQJHMYQMSA-N 2 2 265.260 -1.010 20 0 CAADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220103497 780303076 /nfs/dbraw/zinc/30/30/76/780303076.db2.gz UIQPWKZPHVRBGW-LLVKDONJSA-N 4 2 299.423 -1.802 20 0 CAADLP N=C(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)SCC[NH3+] ZINC001220106050 780304739 /nfs/dbraw/zinc/30/47/39/780304739.db2.gz ADYQUCMAAFIEOF-XSSZXYGBSA-N 3 2 257.363 -1.049 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220109591 780305461 /nfs/dbraw/zinc/30/54/61/780305461.db2.gz FEMYWPDCGSRMLQ-JOYOIKCWSA-N 2 2 257.334 -1.813 20 0 CAADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220141684 780309015 /nfs/dbraw/zinc/30/90/15/780309015.db2.gz RGAPDURWSUVYJK-PRULPYPASA-N 2 2 269.345 -1.142 20 0 CAADLP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220141373 780309364 /nfs/dbraw/zinc/30/93/64/780309364.db2.gz LDYZNYMQWFPFMI-CDPPZIPSSA-N 2 2 287.385 -1.100 20 0 CAADLP CO[C@@H]1COCC[C@H]1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220141364 780309889 /nfs/dbraw/zinc/30/98/89/780309889.db2.gz KWABEWFYTLSEKF-NXEZZACHSA-N 2 2 257.334 -1.013 20 0 CAADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220141687 780310020 /nfs/dbraw/zinc/31/00/20/780310020.db2.gz RGAPDURWSUVYJK-WGBDABJCSA-N 2 2 269.345 -1.142 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220145926 780312093 /nfs/dbraw/zinc/31/20/93/780312093.db2.gz WOQXGLJIOSSBML-KKZNHRDASA-N 2 2 288.373 -2.032 20 0 CAADLP O=C(NC1CC(CO)(CO)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220152219 780312145 /nfs/dbraw/zinc/31/21/45/780312145.db2.gz ZBZNQJTVOSZWTL-RNCFNFMXSA-N 2 2 269.345 -1.813 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152163 780312342 /nfs/dbraw/zinc/31/23/42/780312342.db2.gz WXABPYPBHDAMJW-ADEWGFFLSA-N 3 2 269.393 -1.410 20 0 CAADLP O=C(NC1CC(CO)(CO)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220152221 780312448 /nfs/dbraw/zinc/31/24/48/780312448.db2.gz ZBZNQJTVOSZWTL-ZANVPECISA-N 2 2 269.345 -1.813 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220145976 780312529 /nfs/dbraw/zinc/31/25/29/780312529.db2.gz YGFNSVYPGOACFZ-LDYMZIIASA-N 2 2 288.373 -2.302 20 0 CAADLP O=C(NC1CC(CO)(CO)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220152218 780312535 /nfs/dbraw/zinc/31/25/35/780312535.db2.gz ZBZNQJTVOSZWTL-NOZJJQNGSA-N 2 2 269.345 -1.813 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152164 780312650 /nfs/dbraw/zinc/31/26/50/780312650.db2.gz WXABPYPBHDAMJW-WCQGTBRESA-N 3 2 269.393 -1.410 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220145886 780312856 /nfs/dbraw/zinc/31/28/56/780312856.db2.gz UYOYAWBOAFNWBT-UJNFCWOMSA-N 2 2 288.373 -2.304 20 0 CAADLP CNOCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220403233 780344217 /nfs/dbraw/zinc/34/42/17/780344217.db2.gz KVNRGVAOOACAOW-JTQLQIEISA-N 2 2 259.354 -1.996 20 0 CAADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159989 780314633 /nfs/dbraw/zinc/31/46/33/780314633.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 3 2 283.420 -1.053 20 0 CAADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159989 780314637 /nfs/dbraw/zinc/31/46/37/780314637.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 3 2 283.420 -1.053 20 0 CAADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001220159989 780314644 /nfs/dbraw/zinc/31/46/44/780314644.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 3 2 283.420 -1.053 20 0 CAADLP C[N@H+]1CCC[C@H](NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001220159989 780314651 /nfs/dbraw/zinc/31/46/51/780314651.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 3 2 283.420 -1.053 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220154792 780314885 /nfs/dbraw/zinc/31/48/85/780314885.db2.gz YSQGTONJEQREKU-VIFPVBQESA-N 3 2 253.306 -1.866 20 0 CAADLP O=C(NC1(CCO)COC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220172878 780315683 /nfs/dbraw/zinc/31/56/83/780315683.db2.gz DBWPKOFAEUYLID-SKDRFNHKSA-N 2 2 255.318 -1.795 20 0 CAADLP O=C(NC1(CCO)COC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220172875 780316136 /nfs/dbraw/zinc/31/61/36/780316136.db2.gz DBWPKOFAEUYLID-BXKDBHETSA-N 2 2 255.318 -1.795 20 0 CAADLP O=C(NC1(CCO)COC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220173795 780316268 /nfs/dbraw/zinc/31/62/68/780316268.db2.gz UAMOPPJFHMUGID-LPEHRKFASA-N 2 2 255.318 -1.796 20 0 CAADLP Cn1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1=O ZINC001220179816 780316992 /nfs/dbraw/zinc/31/69/92/780316992.db2.gz TXZHMJJPIHSVHF-ZJUUUORDSA-N 2 2 250.302 -1.309 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181179 780317056 /nfs/dbraw/zinc/31/70/56/780317056.db2.gz CVZPHSQGPGRRAT-DCAQKATOSA-N 2 2 268.317 -1.444 20 0 CAADLP Cn1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1=O ZINC001220179584 780317104 /nfs/dbraw/zinc/31/71/04/780317104.db2.gz OAOOAHMUIUEIHQ-BXUZGUMPSA-N 2 2 276.340 -1.047 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001220183261 780317444 /nfs/dbraw/zinc/31/74/44/780317444.db2.gz JUUQYGAXGRXJDJ-RQJHMYQMSA-N 2 2 264.289 -1.384 20 0 CAADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189524 780318208 /nfs/dbraw/zinc/31/82/08/780318208.db2.gz RGKJWGWNASFEGP-VGMNWLOBSA-N 2 2 262.304 -1.106 20 0 CAADLP [NH3+]CCNCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189094 780318223 /nfs/dbraw/zinc/31/82/23/780318223.db2.gz LMRDLZNJFYQZKW-QMMMGPOBSA-N 2 2 250.293 -1.104 20 0 CAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220197724 780318240 /nfs/dbraw/zinc/31/82/40/780318240.db2.gz PZEPEYSTMHCWQB-GFCCVEGCSA-N 3 2 294.399 -1.224 20 0 CAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220185400 780318439 /nfs/dbraw/zinc/31/84/39/780318439.db2.gz GYEGPZDZXWVKBF-YIZRAAEISA-N 2 2 263.288 -1.072 20 0 CAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220197725 780318568 /nfs/dbraw/zinc/31/85/68/780318568.db2.gz PZEPEYSTMHCWQB-LBPRGKRZSA-N 3 2 294.399 -1.224 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191884 780318700 /nfs/dbraw/zinc/31/87/00/780318700.db2.gz RZIAYPFFNJGOMG-ADEWGFFLSA-N 2 2 270.377 -1.376 20 0 CAADLP N[C@@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CC[NH2+]C1 ZINC001220197758 780318801 /nfs/dbraw/zinc/31/88/01/780318801.db2.gz QXDJJDUMPGJXRB-ZDUSSCGKSA-N 2 2 268.361 -1.342 20 0 CAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]C[C@H]1O ZINC001220185399 780319286 /nfs/dbraw/zinc/31/92/86/780319286.db2.gz GYEGPZDZXWVKBF-XHNCKOQMSA-N 2 2 263.288 -1.072 20 0 CAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]C[C@H]1O ZINC001220185398 780319355 /nfs/dbraw/zinc/31/93/55/780319355.db2.gz GYEGPZDZXWVKBF-DJLDLDEBSA-N 2 2 263.288 -1.072 20 0 CAADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC001220185397 780319392 /nfs/dbraw/zinc/31/93/92/780319392.db2.gz GYEGPZDZXWVKBF-CIUDSAMLSA-N 2 2 263.288 -1.072 20 0 CAADLP O=C(NC[C@H]1CNC(=O)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220202667 780320329 /nfs/dbraw/zinc/32/03/29/780320329.db2.gz HOQCBEOQNJGOBT-XFWSIPNHSA-N 2 2 252.318 -1.811 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220202816 780320528 /nfs/dbraw/zinc/32/05/28/780320528.db2.gz KYWBWLSGKSBSGT-YGOYTEALSA-N 2 2 252.318 -1.810 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202769 780320572 /nfs/dbraw/zinc/32/05/72/780320572.db2.gz JZDWIPMCMPFZBP-VXNVDRBHSA-N 2 2 251.290 -1.468 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220202815 780320858 /nfs/dbraw/zinc/32/08/58/780320858.db2.gz KYWBWLSGKSBSGT-SBMIAAHKSA-N 2 2 252.318 -1.810 20 0 CAADLP CN1C[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1=O ZINC001220245077 780324940 /nfs/dbraw/zinc/32/49/40/780324940.db2.gz FKTNHRIHEDMQFP-WPRPVWTQSA-N 2 2 265.317 -1.126 20 0 CAADLP CN1C[C@@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)CC1=O ZINC001220245370 780325725 /nfs/dbraw/zinc/32/57/25/780325725.db2.gz POUNFTSTHKZLTG-SECBINFHSA-N 2 2 254.334 -1.338 20 0 CAADLP CN1C[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)CC1=O ZINC001220245006 780325786 /nfs/dbraw/zinc/32/57/86/780325786.db2.gz CICMFKWLPUZEDQ-ZYHUDNBSSA-N 2 2 297.403 -1.669 20 0 CAADLP [NH3+][C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)C1CC[NH2+]CC1 ZINC001220251797 780326757 /nfs/dbraw/zinc/32/67/57/780326757.db2.gz FWYXWDUNWYYTHI-MRVPVSSYSA-N 2 2 254.294 -1.547 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnc[nH]1 ZINC001220249822 780326953 /nfs/dbraw/zinc/32/69/53/780326953.db2.gz CQKVHKKWGDHVST-SECBINFHSA-N 2 2 267.337 -1.829 20 0 CAADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251831 780327180 /nfs/dbraw/zinc/32/71/80/780327180.db2.gz HATJOHGWMDRKTL-YFKPBYRVSA-N 2 2 260.323 -1.854 20 0 CAADLP O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220251662 780327207 /nfs/dbraw/zinc/32/72/07/780327207.db2.gz AXDJQAWYZACMAK-ZCFIWIBFSA-N 2 2 252.278 -2.065 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220268499 780328246 /nfs/dbraw/zinc/32/82/46/780328246.db2.gz LFYKNOCPBIZJIH-MWLCHTKSSA-N 2 2 290.389 -2.055 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220268497 780328259 /nfs/dbraw/zinc/32/82/59/780328259.db2.gz LFYKNOCPBIZJIH-GXSJLCMTSA-N 2 2 290.389 -2.055 20 0 CAADLP [NH3+]CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cccnc1 ZINC001220261282 780328304 /nfs/dbraw/zinc/32/83/04/780328304.db2.gz WWNNOEMKFMHLSK-VIFPVBQESA-N 2 2 276.304 -1.544 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220268361 780328433 /nfs/dbraw/zinc/32/84/33/780328433.db2.gz FMDCGYYNGZLUQL-UHFFFAOYSA-N 2 2 278.378 -1.925 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220268500 780328758 /nfs/dbraw/zinc/32/87/58/780328758.db2.gz LFYKNOCPBIZJIH-ONGXEEELSA-N 2 2 290.389 -2.055 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220274872 780329394 /nfs/dbraw/zinc/32/93/94/780329394.db2.gz RGEUJPZSZAVMKT-GFCCVEGCSA-N 3 2 293.371 -1.045 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220274497 780330127 /nfs/dbraw/zinc/33/01/27/780330127.db2.gz FIOLMDGUJPDSEC-QWRGUYRKSA-N 2 2 268.317 -1.132 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220274442 780330162 /nfs/dbraw/zinc/33/01/62/780330162.db2.gz CIKBDAPJBYVQTA-MNOVXSKESA-N 2 2 268.317 -1.274 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220274444 780330363 /nfs/dbraw/zinc/33/03/63/780330363.db2.gz CIKBDAPJBYVQTA-WDEREUQCSA-N 2 2 268.317 -1.274 20 0 CAADLP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CC[NH2+]CC1 ZINC001220291805 780331234 /nfs/dbraw/zinc/33/12/34/780331234.db2.gz YCUCBUSGNFKRJJ-NEPJUHHUSA-N 3 2 281.360 -1.244 20 0 CAADLP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CC[NH2+]CC1 ZINC001220291805 780331236 /nfs/dbraw/zinc/33/12/36/780331236.db2.gz YCUCBUSGNFKRJJ-NEPJUHHUSA-N 3 2 281.360 -1.244 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220292019 780331790 /nfs/dbraw/zinc/33/17/90/780331790.db2.gz ZGMCRPVHDUJRQN-OPRDCNLKSA-N 2 2 254.290 -1.848 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220292019 780331797 /nfs/dbraw/zinc/33/17/97/780331797.db2.gz ZGMCRPVHDUJRQN-OPRDCNLKSA-N 2 2 254.290 -1.848 20 0 CAADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291789 780332023 /nfs/dbraw/zinc/33/20/23/780332023.db2.gz XRYSPWDAFICDES-MNOVXSKESA-N 3 2 269.349 -1.114 20 0 CAADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291789 780332027 /nfs/dbraw/zinc/33/20/27/780332027.db2.gz XRYSPWDAFICDES-MNOVXSKESA-N 3 2 269.349 -1.114 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)CO1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220315111 780333020 /nfs/dbraw/zinc/33/30/20/780333020.db2.gz ABBDBLYHXNNHPP-PTRXPTGYSA-N 2 2 268.317 -2.431 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220304196 780333384 /nfs/dbraw/zinc/33/33/84/780333384.db2.gz TZRMLODVIODPHT-DZGCQCFKSA-N 3 2 295.431 -1.308 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220304196 780333385 /nfs/dbraw/zinc/33/33/85/780333385.db2.gz TZRMLODVIODPHT-DZGCQCFKSA-N 3 2 295.431 -1.308 20 0 CAADLP [NH3+]C1(C(=O)NC[C@H]2CNC(=O)CO2)CC[NH2+]CC1 ZINC001220315620 780334866 /nfs/dbraw/zinc/33/48/66/780334866.db2.gz GBXDGIWMHFCSKA-MRVPVSSYSA-N 2 2 256.306 -2.302 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316072 780335242 /nfs/dbraw/zinc/33/52/42/780335242.db2.gz LWRYNORIZZDAOL-VDDIYKPWSA-N 2 2 295.347 -1.903 20 0 CAADLP [NH3+]C1(C(=O)NC[C@@H]2CNC(=O)CO2)CC[NH2+]CC1 ZINC001220315621 780335277 /nfs/dbraw/zinc/33/52/77/780335277.db2.gz GBXDGIWMHFCSKA-QMMMGPOBSA-N 2 2 256.306 -2.302 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316063 780335672 /nfs/dbraw/zinc/33/56/72/780335672.db2.gz LWRYNORIZZDAOL-AUTRQRHGSA-N 2 2 295.347 -1.903 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319098 780336043 /nfs/dbraw/zinc/33/60/43/780336043.db2.gz CWYOYRMRXXQIDM-BLFANLJRSA-N 3 2 268.361 -1.440 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320770 780336069 /nfs/dbraw/zinc/33/60/69/780336069.db2.gz PHGARHDRAUHMOF-DCQANWLSSA-N 3 2 268.361 -1.297 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320773 780336125 /nfs/dbraw/zinc/33/61/25/780336125.db2.gz PHGARHDRAUHMOF-MRBYEJRBSA-N 3 2 268.361 -1.297 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320771 780336290 /nfs/dbraw/zinc/33/62/90/780336290.db2.gz PHGARHDRAUHMOF-HNCHTBHHSA-N 3 2 268.361 -1.297 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317253 780336361 /nfs/dbraw/zinc/33/63/61/780336361.db2.gz XBOWXCZGFAKZLH-WDEREUQCSA-N 2 2 299.375 -2.632 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320768 780336394 /nfs/dbraw/zinc/33/63/94/780336394.db2.gz PHGARHDRAUHMOF-BLFANLJRSA-N 3 2 268.361 -1.297 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319099 780336437 /nfs/dbraw/zinc/33/64/37/780336437.db2.gz CWYOYRMRXXQIDM-MPPDQPJWSA-N 3 2 268.361 -1.440 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317252 780336518 /nfs/dbraw/zinc/33/65/18/780336518.db2.gz XBOWXCZGFAKZLH-QWRGUYRKSA-N 2 2 299.375 -2.632 20 0 CAADLP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220317113 780336537 /nfs/dbraw/zinc/33/65/37/780336537.db2.gz VWPZRLMFNNQTPH-OSRDXIQISA-N 3 2 294.399 -1.035 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320772 780336675 /nfs/dbraw/zinc/33/66/75/780336675.db2.gz PHGARHDRAUHMOF-MPPDQPJWSA-N 3 2 268.361 -1.297 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319103 780336836 /nfs/dbraw/zinc/33/68/36/780336836.db2.gz CWYOYRMRXXQIDM-ZPFDUUQYSA-N 3 2 268.361 -1.440 20 0 CAADLP NC(=O)[C@@H](CO)NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220328881 780337494 /nfs/dbraw/zinc/33/74/94/780337494.db2.gz DQAIHFAKSFXHFL-RKDXNWHRSA-N 2 2 273.337 -3.301 20 0 CAADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n(N)c(=O)c1 ZINC001220324141 780337720 /nfs/dbraw/zinc/33/77/20/780337720.db2.gz YUWUODOVDAXVSO-YUMQZZPRSA-N 2 2 251.290 -1.644 20 0 CAADLP NC(=O)[C@H](CO)NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220328880 780337738 /nfs/dbraw/zinc/33/77/38/780337738.db2.gz DQAIHFAKSFXHFL-IUCAKERBSA-N 2 2 273.337 -3.301 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC1COC1 ZINC001220340400 780339719 /nfs/dbraw/zinc/33/97/19/780339719.db2.gz CFAROSAEKYGAKB-LBPRGKRZSA-N 2 2 270.377 -1.111 20 0 CAADLP COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220373515 780340544 /nfs/dbraw/zinc/34/05/44/780340544.db2.gz QAFHRXIBPRMZHJ-RITPCOANSA-N 2 2 253.262 -1.176 20 0 CAADLP COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001220373516 780340802 /nfs/dbraw/zinc/34/08/02/780340802.db2.gz QAFHRXIBPRMZHJ-WDSKDSINSA-N 2 2 253.262 -1.176 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[NH+](C)CC1 ZINC001220345905 780340855 /nfs/dbraw/zinc/34/08/55/780340855.db2.gz SDPXPKGTWPIZDA-MNOVXSKESA-N 3 2 298.387 -1.181 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220381128 780343149 /nfs/dbraw/zinc/34/31/49/780343149.db2.gz GXVAEMGEFQIXDW-NTZNESFSSA-N 2 2 268.361 -1.615 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220394783 780344536 /nfs/dbraw/zinc/34/45/36/780344536.db2.gz NAESUDLEOZIJBQ-VIFPVBQESA-N 2 2 251.290 -1.302 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220394993 780344775 /nfs/dbraw/zinc/34/47/75/780344775.db2.gz QVCNJWPFUJWARR-CABZTGNLSA-N 2 2 252.318 -1.644 20 0 CAADLP Cn1c(=O)cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)[nH]c1=O ZINC001220424801 780345958 /nfs/dbraw/zinc/34/59/58/780345958.db2.gz UXMFIFJHKVGJPM-UHFFFAOYSA-N 2 2 281.316 -1.234 20 0 CAADLP Cn1c(=O)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[nH]c1=O ZINC001220424770 780346289 /nfs/dbraw/zinc/34/62/89/780346289.db2.gz SHAVXDKSXIIXPZ-WDSKDSINSA-N 2 2 253.262 -2.029 20 0 CAADLP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[nH]c1=O ZINC001220422616 780346329 /nfs/dbraw/zinc/34/63/29/780346329.db2.gz HCDXPESTFIKQES-ZETCQYMHSA-N 2 2 278.272 -1.283 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001220405900 780346614 /nfs/dbraw/zinc/34/66/14/780346614.db2.gz GLGHLVRYEGZEPE-IMSYWVGJSA-N 2 2 255.318 -1.009 20 0 CAADLP COC(=O)[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001220405903 780347069 /nfs/dbraw/zinc/34/70/69/780347069.db2.gz GLGHLVRYEGZEPE-XKNYDFJKSA-N 2 2 255.318 -1.009 20 0 CAADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220429314 780348192 /nfs/dbraw/zinc/34/81/92/780348192.db2.gz PEMOLNMVHRWLCE-XWLWVQCSSA-N 3 2 254.334 -1.959 20 0 CAADLP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)N1CCOCC1 ZINC001220453496 780349207 /nfs/dbraw/zinc/34/92/07/780349207.db2.gz FIOZMIIGSYVEHP-QWRGUYRKSA-N 2 2 286.376 -1.338 20 0 CAADLP CSc1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc(=O)n1C ZINC001220435924 780349615 /nfs/dbraw/zinc/34/96/15/780349615.db2.gz NLKPQDZQLOYXCE-BQBZGAKWSA-N 2 2 283.357 -1.013 20 0 CAADLP O=C(N[C@H](CO)C(F)(F)F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220448114 780350246 /nfs/dbraw/zinc/35/02/46/780350246.db2.gz XONOLMKZLHEDSZ-LKEWCRSYSA-N 2 2 267.251 -1.023 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220479664 780351661 /nfs/dbraw/zinc/35/16/61/780351661.db2.gz UDKZTXZQAMNOOX-CIUDSAMLSA-N 2 2 273.333 -1.648 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481253 780351734 /nfs/dbraw/zinc/35/17/34/780351734.db2.gz AVEXGGYXDMUALV-BBBLOLIVSA-N 2 2 254.290 -1.766 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471366 780351784 /nfs/dbraw/zinc/35/17/84/780351784.db2.gz KPQJAURIAVXTQR-BYPYZUCNSA-N 2 2 251.250 -1.327 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220479272 780351978 /nfs/dbraw/zinc/35/19/78/780351978.db2.gz GARGYMMJRRHEBN-BFVZDQMLSA-N 2 2 299.371 -1.243 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481695 780352843 /nfs/dbraw/zinc/35/28/43/780352843.db2.gz NQJGARPBGPCJLW-MXWKQRLJSA-N 2 2 268.317 -1.756 20 0 CAADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)O1 ZINC001220481541 780353013 /nfs/dbraw/zinc/35/30/13/780353013.db2.gz JZJYCXNOVSYQMR-TUTUZKQUSA-N 3 2 286.376 -1.483 20 0 CAADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220492633 780353049 /nfs/dbraw/zinc/35/30/49/780353049.db2.gz OTFKLSGDBUHHHZ-APPZFPTMSA-N 2 2 253.306 -1.228 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H](O)C[C@@H]1CO ZINC001220481804 780353550 /nfs/dbraw/zinc/35/35/50/780353550.db2.gz RUPUENRZKXQHHE-UNQZSWDGSA-N 2 2 255.318 -2.110 20 0 CAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)O1 ZINC001220481542 780353783 /nfs/dbraw/zinc/35/37/83/780353783.db2.gz JZJYCXNOVSYQMR-UYNYGYNWSA-N 3 2 286.376 -1.483 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220515956 780357061 /nfs/dbraw/zinc/35/70/61/780357061.db2.gz MSNOYWSZQNOVRR-JQWIXIFHSA-N 3 2 255.366 -2.055 20 0 CAADLP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220515004 780357671 /nfs/dbraw/zinc/35/76/71/780357671.db2.gz ZOQGTEOOXRBQHW-RITPCOANSA-N 2 2 281.272 -1.404 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220519223 780358623 /nfs/dbraw/zinc/35/86/23/780358623.db2.gz GZZAHZLYWGKHRZ-WZRBSPASSA-N 3 2 286.376 -1.684 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220519188 780358747 /nfs/dbraw/zinc/35/87/47/780358747.db2.gz FRGNEPCLOXLIHO-ZJUUUORDSA-N 3 2 260.338 -2.216 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC[NH2+]C1 ZINC001220523320 780359108 /nfs/dbraw/zinc/35/91/08/780359108.db2.gz MGGSOTIEIGZJHX-WPRPVWTQSA-N 3 2 282.344 -1.540 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220519229 780359210 /nfs/dbraw/zinc/35/92/10/780359210.db2.gz HDCACHJBLIDBDV-YPMHNXCESA-N 3 2 286.376 -1.954 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220519319 780360010 /nfs/dbraw/zinc/36/00/10/780360010.db2.gz JTJJKULAQKZYNS-QMMMGPOBSA-N 2 2 287.324 -2.822 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[NH2+]CCN1 ZINC001220571260 780362354 /nfs/dbraw/zinc/36/23/54/780362354.db2.gz MYEZOYRPQIXOEN-JTQLQIEISA-N 2 2 254.334 -2.004 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220571747 780362433 /nfs/dbraw/zinc/36/24/33/780362433.db2.gz YMMIWCIKDDOKPK-ZJUUUORDSA-N 2 2 255.318 -1.842 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571175 780362859 /nfs/dbraw/zinc/36/28/59/780362859.db2.gz KYFNBZLBGHFMJW-JTQLQIEISA-N 2 2 285.344 -1.285 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220571263 780363164 /nfs/dbraw/zinc/36/31/64/780363164.db2.gz NAQNYNYKAOEBIY-RISCZKNCSA-N 2 2 280.372 -1.614 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220571264 780363209 /nfs/dbraw/zinc/36/32/09/780363209.db2.gz NAQNYNYKAOEBIY-SMDDNHRTSA-N 2 2 280.372 -1.614 20 0 CAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570878 780364539 /nfs/dbraw/zinc/36/45/39/780364539.db2.gz CDGRMDOJZPWNRW-SNVBAGLBSA-N 2 2 299.375 -1.789 20 0 CAADLP COC(=O)CNC(=O)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220576160 780365661 /nfs/dbraw/zinc/36/56/61/780365661.db2.gz UFIWMQBFUXAVHM-RWYTXXIDSA-N 2 2 284.316 -2.386 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220583679 780367071 /nfs/dbraw/zinc/36/70/71/780367071.db2.gz UHEYWAVERUNLGM-NSHDSACASA-N 3 2 297.359 -1.360 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220583588 780367237 /nfs/dbraw/zinc/36/72/37/780367237.db2.gz PEWDFJIRJRVMBV-ZETCQYMHSA-N 2 2 285.308 -2.580 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220583096 780367381 /nfs/dbraw/zinc/36/73/81/780367381.db2.gz DHZRNAIMNFEVCP-JTQLQIEISA-N 3 2 283.332 -1.370 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220583071 780367420 /nfs/dbraw/zinc/36/74/20/780367420.db2.gz CPMNFOCFYXTAGI-MFKMUULPSA-N 3 2 284.360 -1.712 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(F)(F)F ZINC001220587744 780368188 /nfs/dbraw/zinc/36/81/88/780368188.db2.gz IHOGTHUSHISBOP-HCWXCVPCSA-N 2 2 269.223 -1.247 20 0 CAADLP COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(F)(F)F ZINC001220587538 780368527 /nfs/dbraw/zinc/36/85/27/780368527.db2.gz DXAXKUMSTIXKTP-SRQIZXRXSA-N 2 2 269.223 -1.104 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220596636 780370489 /nfs/dbraw/zinc/37/04/89/780370489.db2.gz CCEKBUIVXCQZBZ-SNVBAGLBSA-N 2 2 251.290 -1.374 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220597186 780370553 /nfs/dbraw/zinc/37/05/53/780370553.db2.gz YIQRPNOEYVYFRT-INTQDDNPSA-N 2 2 252.318 -1.717 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001220596922 780370610 /nfs/dbraw/zinc/37/06/10/780370610.db2.gz NMUSNUWXZGJGFD-NSHDSACASA-N 2 2 265.317 -1.363 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220688821 780373669 /nfs/dbraw/zinc/37/36/69/780373669.db2.gz QVRAVFSNVZDBJL-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220688821 780373681 /nfs/dbraw/zinc/37/36/81/780373681.db2.gz QVRAVFSNVZDBJL-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220688821 780373686 /nfs/dbraw/zinc/37/36/86/780373686.db2.gz QVRAVFSNVZDBJL-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220688821 780373696 /nfs/dbraw/zinc/37/36/96/780373696.db2.gz QVRAVFSNVZDBJL-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2-n2cnnn2)C1 ZINC001220671043 780373817 /nfs/dbraw/zinc/37/38/17/780373817.db2.gz VQXVXOPEAPKKSI-MNOVXSKESA-N 2 2 287.327 -1.032 20 0 CAADLP Nc1ncc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])s1 ZINC001220703845 780374303 /nfs/dbraw/zinc/37/43/03/780374303.db2.gz ISNAZNUVWWJKAJ-YUMQZZPRSA-N 2 2 255.347 -1.069 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220683377 780374485 /nfs/dbraw/zinc/37/44/85/780374485.db2.gz PCDFUQDBIFRCRH-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220683377 780374495 /nfs/dbraw/zinc/37/44/95/780374495.db2.gz PCDFUQDBIFRCRH-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220683377 780374503 /nfs/dbraw/zinc/37/45/03/780374503.db2.gz PCDFUQDBIFRCRH-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220683377 780374506 /nfs/dbraw/zinc/37/45/06/780374506.db2.gz PCDFUQDBIFRCRH-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220724396 780375259 /nfs/dbraw/zinc/37/52/59/780375259.db2.gz GDKHFCZEJHHRNA-LLVKDONJSA-N 2 2 270.377 -1.096 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725431 780375647 /nfs/dbraw/zinc/37/56/47/780375647.db2.gz RLVRFFZLGOJVCH-NEPJUHHUSA-N 3 2 282.388 -1.368 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725431 780375651 /nfs/dbraw/zinc/37/56/51/780375651.db2.gz RLVRFFZLGOJVCH-NEPJUHHUSA-N 3 2 282.388 -1.368 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220725276 780375740 /nfs/dbraw/zinc/37/57/40/780375740.db2.gz PPYODLIQPGKKLC-DYEKYZERSA-N 2 2 282.388 -1.225 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220725038 780376314 /nfs/dbraw/zinc/37/63/14/780376314.db2.gz LJNCJWHWKMWSCP-VWYCJHECSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220723473 780376233 /nfs/dbraw/zinc/37/62/33/780376233.db2.gz AHYLELWDMDHHST-QWRGUYRKSA-N 3 2 290.433 -1.158 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220723473 780376241 /nfs/dbraw/zinc/37/62/41/780376241.db2.gz AHYLELWDMDHHST-QWRGUYRKSA-N 3 2 290.433 -1.158 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220725038 780376319 /nfs/dbraw/zinc/37/63/19/780376319.db2.gz LJNCJWHWKMWSCP-VWYCJHECSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220725770 780376414 /nfs/dbraw/zinc/37/64/14/780376414.db2.gz XXWMYDVVVRXUOT-RYUDHWBXSA-N 2 2 298.387 -1.846 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220725770 780376423 /nfs/dbraw/zinc/37/64/23/780376423.db2.gz XXWMYDVVVRXUOT-RYUDHWBXSA-N 2 2 298.387 -1.846 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220725229 780376603 /nfs/dbraw/zinc/37/66/03/780376603.db2.gz OKOLRMUZDYYSBT-MXWKQRLJSA-N 2 2 256.350 -1.488 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220725238 780376698 /nfs/dbraw/zinc/37/66/98/780376698.db2.gz ORKSWHVOXPBCLP-MROQNXINSA-N 2 2 282.388 -1.227 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220725768 780376977 /nfs/dbraw/zinc/37/69/77/780376977.db2.gz XXWMYDVVVRXUOT-NEPJUHHUSA-N 2 2 298.387 -1.846 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220725768 780376984 /nfs/dbraw/zinc/37/69/84/780376984.db2.gz XXWMYDVVVRXUOT-NEPJUHHUSA-N 2 2 298.387 -1.846 20 0 CAADLP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220725239 780377342 /nfs/dbraw/zinc/37/73/42/780377342.db2.gz ORKSWHVOXPBCLP-ZDEQEGDKSA-N 2 2 282.388 -1.227 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220725277 780377435 /nfs/dbraw/zinc/37/74/35/780377435.db2.gz PPYODLIQPGKKLC-MBNYWOFBSA-N 2 2 282.388 -1.225 20 0 CAADLP CC(=O)NC[C@@H](C)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220756981 780377988 /nfs/dbraw/zinc/37/79/88/780377988.db2.gz PJIXMYBVIBSCIU-ZWNOBZJWSA-N 2 2 299.419 -1.375 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220756490 780378696 /nfs/dbraw/zinc/37/86/96/780378696.db2.gz FEWYJRNBWDGUBA-GAFUQQFSSA-N 2 2 268.361 -1.174 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220771782 780379714 /nfs/dbraw/zinc/37/97/14/780379714.db2.gz CXDUOGUUSUOXCL-VWYCJHECSA-N 2 2 296.327 -1.799 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C[C@H](O)C[NH3+] ZINC001220768922 780380419 /nfs/dbraw/zinc/38/04/19/780380419.db2.gz FDZAAFHDYXSCKE-UWVGGRQHSA-N 2 2 284.316 -1.670 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220769167 780380235 /nfs/dbraw/zinc/38/02/35/780380235.db2.gz JLTNYUOYFTZXTA-GMTAPVOTSA-N 2 2 296.327 -1.657 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1COC[NH2+]1 ZINC001220768750 780380318 /nfs/dbraw/zinc/38/03/18/780380318.db2.gz ANFCQMUWTXGCTE-ZJUUUORDSA-N 2 2 282.300 -1.434 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775498 780380357 /nfs/dbraw/zinc/38/03/57/780380357.db2.gz ZMPGZSRWYAHRLS-AXTRIDKLSA-N 2 2 279.348 -1.010 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220771779 780380467 /nfs/dbraw/zinc/38/04/67/780380467.db2.gz CXDUOGUUSUOXCL-DCAQKATOSA-N 2 2 296.327 -1.799 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220772629 780380513 /nfs/dbraw/zinc/38/05/13/780380513.db2.gz QTGSZUXIEVLZQO-DCAQKATOSA-N 2 2 296.327 -1.657 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220771801 780380754 /nfs/dbraw/zinc/38/07/54/780380754.db2.gz DMLBJFQHMIKUNS-GXFFZTMASA-N 2 2 295.343 -1.689 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220769166 780380850 /nfs/dbraw/zinc/38/08/50/780380850.db2.gz JLTNYUOYFTZXTA-GARJFASQSA-N 2 2 296.327 -1.657 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220771826 780381196 /nfs/dbraw/zinc/38/11/96/780381196.db2.gz FAHCETSRKGXSLE-QWRGUYRKSA-N 2 2 295.343 -1.818 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220771825 780381329 /nfs/dbraw/zinc/38/13/29/780381329.db2.gz FAHCETSRKGXSLE-MNOVXSKESA-N 2 2 295.343 -1.818 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[NH2+]C1 ZINC001220827241 780381727 /nfs/dbraw/zinc/38/17/27/780381727.db2.gz KSTGVGSZGOOKGQ-RULNRJAQSA-N 3 2 294.355 -1.255 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CCC(F)(F)C1 ZINC001220808225 780382085 /nfs/dbraw/zinc/38/20/85/780382085.db2.gz MDYXATCLDCATFP-IUCAKERBSA-N 2 2 262.304 -1.010 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[NH2+]C1 ZINC001220827562 780382309 /nfs/dbraw/zinc/38/23/09/780382309.db2.gz SGTSTHGYVPZOAQ-INTQDDNPSA-N 3 2 294.355 -1.527 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[NH2+]C1 ZINC001220825640 780383184 /nfs/dbraw/zinc/38/31/84/780383184.db2.gz PIHMMUNDCBAHHG-JTQLQIEISA-N 3 2 293.327 -1.184 20 0 CAADLP CCOC(=O)C1=C(NC(=O)C2(F)C[NH2+]C2)C[NH2+]C1 ZINC001220827027 780383380 /nfs/dbraw/zinc/38/33/80/780383380.db2.gz FKFIQKAAXAFOGY-UHFFFAOYSA-N 2 2 257.265 -1.166 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[NH2+]C1 ZINC001220830237 780384982 /nfs/dbraw/zinc/38/49/82/780384982.db2.gz SOFKLKYVKCAHIL-CBAPKCEASA-N 3 2 268.317 -1.930 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[NH2+]C1 ZINC001220851018 780385800 /nfs/dbraw/zinc/38/58/00/780385800.db2.gz DGFZONYJFZSONZ-NOZJJQNGSA-N 3 2 282.344 -2.041 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[NH2+]C1 ZINC001220851021 780386366 /nfs/dbraw/zinc/38/63/66/780386366.db2.gz DGFZONYJFZSONZ-ZANVPECISA-N 3 2 282.344 -2.041 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCCN1CC[NH2+]CC1=O ZINC001220872491 780390639 /nfs/dbraw/zinc/39/06/39/780390639.db2.gz WRCGOCGXWJYDLG-VIFPVBQESA-N 2 2 286.332 -2.185 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCOCCN2C(=O)C=CC2=O)C1 ZINC001220878439 780391531 /nfs/dbraw/zinc/39/15/31/780391531.db2.gz CXFQNXZFVHRZTN-ZJUUUORDSA-N 2 2 296.327 -2.267 20 0 CAADLP [NH3+]CCC[NH2+]CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874179 780391775 /nfs/dbraw/zinc/39/17/75/780391775.db2.gz CHGHSHNDDYPDOG-UHFFFAOYSA-N 3 2 257.338 -2.527 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220888742 780392546 /nfs/dbraw/zinc/39/25/46/780392546.db2.gz VRVFJHLADLZJHR-OLZOCXBDSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220888742 780392553 /nfs/dbraw/zinc/39/25/53/780392553.db2.gz VRVFJHLADLZJHR-OLZOCXBDSA-N 2 2 296.371 -1.104 20 0 CAADLP COC(=O)[C@H]1C[C@@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220881114 780392874 /nfs/dbraw/zinc/39/28/74/780392874.db2.gz CSGLYXMNBWWFFG-BDAKNGLRSA-N 2 2 255.318 -1.007 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220882019 780393552 /nfs/dbraw/zinc/39/35/52/780393552.db2.gz QZTGUTPWGZRGJA-YUSALJHKSA-N 2 2 298.387 -1.338 20 0 CAADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220881115 780393652 /nfs/dbraw/zinc/39/36/52/780393652.db2.gz CSGLYXMNBWWFFG-DTWKUNHWSA-N 2 2 255.318 -1.007 20 0 CAADLP [NH3+]CCN(CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])N(O)N=O ZINC001220902806 780394088 /nfs/dbraw/zinc/39/40/88/780394088.db2.gz AQWMSJIBQHMYBC-YUMQZZPRSA-N 3 2 275.313 -2.802 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCC[NH3+] ZINC001221348933 780417765 /nfs/dbraw/zinc/41/77/65/780417765.db2.gz MDOSEDRSMRBCMZ-NSHDSACASA-N 3 2 257.382 -1.408 20 0 CAADLP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220936383 780396357 /nfs/dbraw/zinc/39/63/57/780396357.db2.gz FUBPNYQCSJCOEW-NQBHXWOUSA-N 3 2 268.361 -1.567 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220951030 780396612 /nfs/dbraw/zinc/39/66/12/780396612.db2.gz NXAJFQUDDDXKJN-SECBINFHSA-N 2 2 261.289 -1.245 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220951030 780396615 /nfs/dbraw/zinc/39/66/15/780396615.db2.gz NXAJFQUDDDXKJN-SECBINFHSA-N 2 2 261.289 -1.245 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937329 780397498 /nfs/dbraw/zinc/39/74/98/780397498.db2.gz PDRRANWJMNFPLO-NEPJUHHUSA-N 3 2 281.360 -1.215 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937411 780398114 /nfs/dbraw/zinc/39/81/14/780398114.db2.gz QUQBBOXLRFWQMG-QWRGUYRKSA-N 3 2 267.333 -1.226 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220951266 780398552 /nfs/dbraw/zinc/39/85/52/780398552.db2.gz VJBUGZXGBJQYSV-NSHDSACASA-N 3 2 293.375 -1.788 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220951266 780398567 /nfs/dbraw/zinc/39/85/67/780398567.db2.gz VJBUGZXGBJQYSV-NSHDSACASA-N 3 2 293.375 -1.788 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950731 780398719 /nfs/dbraw/zinc/39/87/19/780398719.db2.gz DPTDNNYVWHVISM-JTQLQIEISA-N 3 2 275.316 -1.235 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937742 780398880 /nfs/dbraw/zinc/39/88/80/780398880.db2.gz YWQKYGZXWCFICO-IUCAKERBSA-N 2 2 259.306 -1.629 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220951265 780399327 /nfs/dbraw/zinc/39/93/27/780399327.db2.gz VJBUGZXGBJQYSV-LLVKDONJSA-N 3 2 293.375 -1.788 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220951265 780399336 /nfs/dbraw/zinc/39/93/36/780399336.db2.gz VJBUGZXGBJQYSV-LLVKDONJSA-N 3 2 293.375 -1.788 20 0 CAADLP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220960151 780401029 /nfs/dbraw/zinc/40/10/29/780401029.db2.gz JHZQLPXBEDOZPT-RCWTZXSCSA-N 2 2 285.344 -1.383 20 0 CAADLP Cc1nnc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)o1 ZINC001221011191 780402258 /nfs/dbraw/zinc/40/22/58/780402258.db2.gz YHSVUHYJWFMXHR-GZMMTYOYSA-N 2 2 251.290 -1.054 20 0 CAADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001221006473 780402329 /nfs/dbraw/zinc/40/23/29/780402329.db2.gz HXLWLPTVJYMKAG-SRVKXCTJSA-N 3 2 299.419 -1.232 20 0 CAADLP CC(=O)OCN1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221258816 780408399 /nfs/dbraw/zinc/40/83/99/780408399.db2.gz OGZPHWSFGFYIHU-RYUDHWBXSA-N 2 2 284.360 -1.366 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CN(C2COC2)C1 ZINC001221245909 780408472 /nfs/dbraw/zinc/40/84/72/780408472.db2.gz IEWRNIQPALNTBV-NSHDSACASA-N 2 2 265.317 -1.521 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccccc1 ZINC001221266907 780411298 /nfs/dbraw/zinc/41/12/98/780411298.db2.gz ZLMYSESWSOUFBC-BJDJZHNGSA-N 2 2 276.344 -1.795 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265827 780411341 /nfs/dbraw/zinc/41/13/41/780411341.db2.gz QACNJYKXVPWLNS-KZVJFYERSA-N 2 2 272.309 -3.604 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21)c1ccccc1 ZINC001221266912 780411356 /nfs/dbraw/zinc/41/13/56/780411356.db2.gz ZLMYSESWSOUFBC-QCNOEVLYSA-N 2 2 276.344 -1.795 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21)c1ccccc1 ZINC001221266916 780411451 /nfs/dbraw/zinc/41/14/51/780411451.db2.gz ZLMYSESWSOUFBC-YFKTTZPYSA-N 2 2 276.344 -1.795 20 0 CAADLP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266484 780411599 /nfs/dbraw/zinc/41/15/99/780411599.db2.gz WOCFXHAPEGXFAL-UKKRHICBSA-N 2 2 296.400 -1.863 20 0 CAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265410 780411762 /nfs/dbraw/zinc/41/17/62/780411762.db2.gz LKUMETUSZPUJRP-DMLMCSCLSA-N 2 2 297.363 -3.545 20 0 CAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265409 780411782 /nfs/dbraw/zinc/41/17/82/780411782.db2.gz LKUMETUSZPUJRP-CDEVMZEPSA-N 2 2 297.363 -3.545 20 0 CAADLP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266482 780411878 /nfs/dbraw/zinc/41/18/78/780411878.db2.gz WOCFXHAPEGXFAL-LNFKQOIKSA-N 2 2 296.400 -1.863 20 0 CAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265408 780411911 /nfs/dbraw/zinc/41/19/11/780411911.db2.gz LKUMETUSZPUJRP-ASXGKARISA-N 2 2 297.363 -3.545 20 0 CAADLP Nc1cn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(N)nc1=O ZINC001221331137 780414240 /nfs/dbraw/zinc/41/42/40/780414240.db2.gz RQDGRQZEPPUOKS-SECBINFHSA-N 2 2 295.347 -1.959 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC1=CCOC1=O ZINC001221328812 780414743 /nfs/dbraw/zinc/41/47/43/780414743.db2.gz OJXURGDAOSVKDI-SECBINFHSA-N 2 2 268.317 -1.706 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1=CCOC1=O ZINC001221333126 780415776 /nfs/dbraw/zinc/41/57/76/780415776.db2.gz UHQHOEBVBDDCGD-QMMMGPOBSA-N 2 2 250.258 -1.153 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)O1 ZINC001221369310 780417381 /nfs/dbraw/zinc/41/73/81/780417381.db2.gz LYEHXJIXMHLZJI-IUCAKERBSA-N 2 2 267.289 -1.486 20 0 CAADLP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221368004 780417680 /nfs/dbraw/zinc/41/76/80/780417680.db2.gz VPLRXQALYKMYNK-BFLSOPEQSA-N 3 2 256.325 -1.246 20 0 CAADLP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221368009 780417745 /nfs/dbraw/zinc/41/77/45/780417745.db2.gz VPLRXQALYKMYNK-XNDJQWLSSA-N 3 2 256.325 -1.246 20 0 CAADLP CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221370529 780418363 /nfs/dbraw/zinc/41/83/63/780418363.db2.gz SDCUFBHVANCPQA-RKDXNWHRSA-N 2 2 265.317 -1.080 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370827 780419294 /nfs/dbraw/zinc/41/92/94/780419294.db2.gz UNXALBMNJYVUDM-SFYZADRCSA-N 2 2 253.262 -1.496 20 0 CAADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221393353 780419887 /nfs/dbraw/zinc/41/98/87/780419887.db2.gz BUKHIGRHTONDQW-GFCCVEGCSA-N 2 2 292.339 -1.093 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001221403058 780420130 /nfs/dbraw/zinc/42/01/30/780420130.db2.gz PGIHXOFVAXSTPU-GYSYKLTISA-N 3 2 282.388 -1.219 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221403588 780420702 /nfs/dbraw/zinc/42/07/02/780420702.db2.gz CKBOCRZDZNLMIO-UWVGGRQHSA-N 3 2 256.350 -1.894 20 0 CAADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221947124 780425151 /nfs/dbraw/zinc/42/51/51/780425151.db2.gz SPLLRTLXCKVACT-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221947124 780425156 /nfs/dbraw/zinc/42/51/56/780425156.db2.gz SPLLRTLXCKVACT-VXGBXAGGSA-N 2 2 298.387 -1.417 20 0 CAADLP C(C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235054769 780489227 /nfs/dbraw/zinc/48/92/27/780489227.db2.gz XLBDGYWOWOQELZ-ZDUSSCGKSA-N 2 2 254.378 -1.044 20 0 CAADLP C(C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235054769 780489231 /nfs/dbraw/zinc/48/92/31/780489231.db2.gz XLBDGYWOWOQELZ-ZDUSSCGKSA-N 2 2 254.378 -1.044 20 0 CAADLP C(C[NH+]1CCOCC1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054769 780489237 /nfs/dbraw/zinc/48/92/37/780489237.db2.gz XLBDGYWOWOQELZ-ZDUSSCGKSA-N 2 2 254.378 -1.044 20 0 CAADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](CC[NH3+])C2 ZINC001235543364 780492592 /nfs/dbraw/zinc/49/25/92/780492592.db2.gz WXXWAOMICFURBQ-YPMHNXCESA-N 2 2 271.361 -1.002 20 0 CAADLP CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](CC[NH3+])C2 ZINC001235543364 780492600 /nfs/dbraw/zinc/49/26/00/780492600.db2.gz WXXWAOMICFURBQ-YPMHNXCESA-N 2 2 271.361 -1.002 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1=CS[C@@H]([NH3+])N1 ZINC001236196954 780495535 /nfs/dbraw/zinc/49/55/35/780495535.db2.gz MGDWMWCOSDXIOB-PMVVWTBXSA-N 2 2 258.347 -1.019 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC1=CS[C@H]([NH3+])N1 ZINC001236196952 780495546 /nfs/dbraw/zinc/49/55/46/780495546.db2.gz MGDWMWCOSDXIOB-KADJCCMJSA-N 2 2 258.347 -1.019 20 0 CAADLP COC(=O)[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001236342971 780496367 /nfs/dbraw/zinc/49/63/67/780496367.db2.gz OBKBLIZZWYBCDJ-QWRGUYRKSA-N 2 2 257.334 -1.249 20 0 CAADLP COC(=O)[C@@H]1CN(CC2=CS[C@H]([NH3+])N2)C[C@H]1[NH3+] ZINC001236340183 780496848 /nfs/dbraw/zinc/49/68/48/780496848.db2.gz HXKRJPVEBJXQMC-NQMVMOMDSA-N 2 2 258.347 -1.161 20 0 CAADLP COC(=O)[C@@H]1CN(CC2=CS[C@H]([NH3+])N2)C[C@@H]1[NH3+] ZINC001236340178 780496939 /nfs/dbraw/zinc/49/69/39/780496939.db2.gz HXKRJPVEBJXQMC-KHQFGBGNSA-N 2 2 258.347 -1.161 20 0 CAADLP COC(=O)[C@@H]1CN(CC2=CS[C@@H]([NH3+])N2)C[C@H]1[NH3+] ZINC001236340181 780497037 /nfs/dbraw/zinc/49/70/37/780497037.db2.gz HXKRJPVEBJXQMC-MRTMQBJTSA-N 2 2 258.347 -1.161 20 0 CAADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(N)=O)C[C@@H]21 ZINC001277980777 780497055 /nfs/dbraw/zinc/49/70/55/780497055.db2.gz DSPBSAGFIYWOKK-QWRGUYRKSA-N 2 2 256.350 -1.582 20 0 CAADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(N)=O)C[C@@H]21 ZINC001277980777 780497056 /nfs/dbraw/zinc/49/70/56/780497056.db2.gz DSPBSAGFIYWOKK-QWRGUYRKSA-N 2 2 256.350 -1.582 20 0 CAADLP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277981915 780498096 /nfs/dbraw/zinc/49/80/96/780498096.db2.gz PZTGWLWLKUQWJI-NXEZZACHSA-N 2 2 266.345 -1.386 20 0 CAADLP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(N)=O)CC3)[C@@H]2C1 ZINC001277981915 780498100 /nfs/dbraw/zinc/49/81/00/780498100.db2.gz PZTGWLWLKUQWJI-NXEZZACHSA-N 2 2 266.345 -1.386 20 0 CAADLP CNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278012332 780499066 /nfs/dbraw/zinc/49/90/66/780499066.db2.gz BAMFKBULLQSIBS-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278012332 780499070 /nfs/dbraw/zinc/49/90/70/780499070.db2.gz BAMFKBULLQSIBS-NEPJUHHUSA-N 2 2 270.377 -1.321 20 0 CAADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001278036007 780500717 /nfs/dbraw/zinc/50/07/17/780500717.db2.gz WTXZJJVKUFNYOP-VIFPVBQESA-N 2 2 253.306 -1.195 20 0 CAADLP [NH3+]CCS(=O)(=O)Nc1nccnc1N1CC[NH2+]CC1 ZINC001237491849 780506594 /nfs/dbraw/zinc/50/65/94/780506594.db2.gz BMJMEJJKBGGRAQ-UHFFFAOYSA-N 2 2 286.361 -1.413 20 0 CAADLP CCOC(=O)C1(NS(=O)(=O)CC[NH3+])CC[NH+](C)CC1 ZINC001238583347 780519886 /nfs/dbraw/zinc/51/98/86/780519886.db2.gz ZHMQMOYLSJGIDT-UHFFFAOYSA-N 2 2 293.389 -1.108 20 0 CAADLP O=C1CC[NH2+]C[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238628477 780520081 /nfs/dbraw/zinc/52/00/81/780520081.db2.gz RJUMYKYRBZFSFX-SNVBAGLBSA-N 2 2 275.374 -1.164 20 0 CAADLP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001238812874 780523015 /nfs/dbraw/zinc/52/30/15/780523015.db2.gz QQWOKLYVCNMAHP-SNVBAGLBSA-N 3 2 276.406 -1.309 20 0 CAADLP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001238812874 780523019 /nfs/dbraw/zinc/52/30/19/780523019.db2.gz QQWOKLYVCNMAHP-SNVBAGLBSA-N 3 2 276.406 -1.309 20 0 CAADLP COC(=O)[C@H](CC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246153152 780546129 /nfs/dbraw/zinc/54/61/29/780546129.db2.gz LYAOJGPTHGCDEX-VGMNWLOBSA-N 2 2 259.306 -1.630 20 0 CAADLP OC[C@@H]1C[NH2+]C[C@H]1NC[C@H](O)C[NH+]1CCOCC1 ZINC001245992466 780538859 /nfs/dbraw/zinc/53/88/59/780538859.db2.gz DOVZQZMKXHSRQL-SDDRHHMPSA-N 2 2 259.350 -2.151 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC001246046852 780540530 /nfs/dbraw/zinc/54/05/30/780540530.db2.gz ANDGKHDJDXRQCA-NEPJUHHUSA-N 2 2 287.360 -1.874 20 0 CAADLP COC(=O)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001246049536 780541241 /nfs/dbraw/zinc/54/12/41/780541241.db2.gz BMCBQESXXXRIDW-IJLUTSLNSA-N 2 2 287.360 -1.888 20 0 CAADLP O[C@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023449 780541348 /nfs/dbraw/zinc/54/13/48/780541348.db2.gz DQOFPLGZAPREJS-UONOGXRCSA-N 3 2 298.431 -1.511 20 0 CAADLP O[C@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023449 780541355 /nfs/dbraw/zinc/54/13/55/780541355.db2.gz DQOFPLGZAPREJS-UONOGXRCSA-N 3 2 298.431 -1.511 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@H](O)C[NH+]1CCOCC1 ZINC001246063602 780542299 /nfs/dbraw/zinc/54/22/99/780542299.db2.gz LGTJXGZTZCBXTJ-UTUOFQBUSA-N 2 2 287.360 -1.746 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001246063600 780542439 /nfs/dbraw/zinc/54/24/39/780542439.db2.gz LGTJXGZTZCBXTJ-SRVKXCTJSA-N 2 2 287.360 -1.746 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCCC[NH2+]C2)CN1 ZINC001246112634 780544417 /nfs/dbraw/zinc/54/44/17/780544417.db2.gz QSKKHTPIISMPHF-GVXVVHGQSA-N 2 2 271.361 -1.016 20 0 CAADLP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CCOC13C[NH2+]C3)CCN2 ZINC001246122758 780544462 /nfs/dbraw/zinc/54/44/62/780544462.db2.gz COKYUFUNGPKTKM-GHMZBOCLSA-N 3 2 252.362 -1.199 20 0 CAADLP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CCOC13C[NH2+]C3)CCN2 ZINC001246122761 780544666 /nfs/dbraw/zinc/54/46/66/780544666.db2.gz COKYUFUNGPKTKM-QWRGUYRKSA-N 3 2 252.362 -1.199 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)CN1 ZINC001246137504 780545289 /nfs/dbraw/zinc/54/52/89/780545289.db2.gz ZARSZDMBVPIQKU-RMPHRYRLSA-N 2 2 269.345 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246138437 780545300 /nfs/dbraw/zinc/54/53/00/780545300.db2.gz MHBQWBDDZRGWBV-KAMPLNKDSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246138437 780545310 /nfs/dbraw/zinc/54/53/10/780545310.db2.gz MHBQWBDDZRGWBV-KAMPLNKDSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[NH2+]1 ZINC001246151241 780545342 /nfs/dbraw/zinc/54/53/42/780545342.db2.gz HHJUPRGGIRXMHO-UVOCVTCTSA-N 2 2 255.318 -1.391 20 0 CAADLP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[NH2+][C@@H]3CCO[C@@H]31)CCN2 ZINC001246149551 780545414 /nfs/dbraw/zinc/54/54/14/780545414.db2.gz CXINPKDISONYND-USZNOCQGSA-N 3 2 252.362 -1.201 20 0 CAADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)C[NH2+]1 ZINC001246146372 780545650 /nfs/dbraw/zinc/54/56/50/780545650.db2.gz RWXFZFKXJWYXDY-GZZJDILISA-N 2 2 296.371 -1.162 20 0 CAADLP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1C[NH2+][C@@H]3COC[C@H]13)CCN2 ZINC001246133915 780545736 /nfs/dbraw/zinc/54/57/36/780545736.db2.gz KTCFEQIORRHMPR-DDHJBXDOSA-N 3 2 252.362 -1.343 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2COCCC23C[NH2+]C3)C[NH2+]1 ZINC001246139127 780545893 /nfs/dbraw/zinc/54/58/93/780545893.db2.gz RQVGJBLJWCWNRA-VWYCJHECSA-N 2 2 269.345 -1.142 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[NH2+]1 ZINC001246151231 780546019 /nfs/dbraw/zinc/54/60/19/780546019.db2.gz HHJUPRGGIRXMHO-SSRBZLIGSA-N 2 2 255.318 -1.391 20 0 CAADLP CN(C)C(=O)c1nc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246180861 780547427 /nfs/dbraw/zinc/54/74/27/780547427.db2.gz RXJNNYCNWFEEGF-SECBINFHSA-N 2 2 294.359 -1.045 20 0 CAADLP CN(C)C(=O)c1nc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246180862 780547618 /nfs/dbraw/zinc/54/76/18/780547618.db2.gz RXJNNYCNWFEEGF-VIFPVBQESA-N 2 2 294.359 -1.045 20 0 CAADLP COC(=O)[C@@H](CCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246208694 780548078 /nfs/dbraw/zinc/54/80/78/780548078.db2.gz FGNZYIIFSJYVCO-AEJSXWLSSA-N 2 2 273.333 -1.240 20 0 CAADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236876 780549623 /nfs/dbraw/zinc/54/96/23/780549623.db2.gz ZJRDYHJHBPXVHS-LLVKDONJSA-N 3 2 266.393 -1.148 20 0 CAADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236878 780550216 /nfs/dbraw/zinc/55/02/16/780550216.db2.gz ZJRDYHJHBPXVHS-NSHDSACASA-N 3 2 266.393 -1.148 20 0 CAADLP CCOC(=O)C1(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246342561 780552409 /nfs/dbraw/zinc/55/24/09/780552409.db2.gz BEUCEGZAACERLY-BDAKNGLRSA-N 2 2 271.317 -1.615 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246327273 780552417 /nfs/dbraw/zinc/55/24/17/780552417.db2.gz SHLMKDXGJUZRIJ-OBJOEFQTSA-N 2 2 282.388 -1.097 20 0 CAADLP CCOC(=O)C1=C(N[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246349372 780552453 /nfs/dbraw/zinc/55/24/53/780552453.db2.gz KLRCZERWIRKYKO-WCBMZHEXSA-N 2 2 283.328 -1.100 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2CO)CN1 ZINC001246319046 780552464 /nfs/dbraw/zinc/55/24/64/780552464.db2.gz CBMZXBFZIREFLH-DBIOUOCHSA-N 2 2 257.334 -1.550 20 0 CAADLP CCOC(=O)C1(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246342562 780552479 /nfs/dbraw/zinc/55/24/79/780552479.db2.gz BEUCEGZAACERLY-IUCAKERBSA-N 2 2 271.317 -1.615 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246327271 780552553 /nfs/dbraw/zinc/55/25/53/780552553.db2.gz SHLMKDXGJUZRIJ-DYEKYZERSA-N 2 2 282.388 -1.097 20 0 CAADLP COC(=O)[C@@H]1C[C@H](n2cc(C[NH3+])cnc2=N)C[NH2+]1 ZINC001246375226 780553538 /nfs/dbraw/zinc/55/35/38/780553538.db2.gz XBPQSCDRQQUVHL-IUCAKERBSA-N 2 2 251.290 -1.103 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])N[C@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246400355 780553996 /nfs/dbraw/zinc/55/39/96/780553996.db2.gz FGNZYIIFSJYVCO-KXUCPTDWSA-N 2 2 273.333 -1.240 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CCN1 ZINC001246493183 780554517 /nfs/dbraw/zinc/55/45/17/780554517.db2.gz YDXIVFYKVCAGHU-VWYCJHECSA-N 2 2 256.350 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CN1 ZINC001246487606 780554780 /nfs/dbraw/zinc/55/47/80/780554780.db2.gz HNWVZVJUZXTPMR-WOPDTQHZSA-N 2 2 270.377 -1.179 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)CCN1 ZINC001246493180 780555142 /nfs/dbraw/zinc/55/51/42/780555142.db2.gz YDXIVFYKVCAGHU-MXWKQRLJSA-N 2 2 256.350 -1.569 20 0 CAADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC[NH2+]1 ZINC001246493665 780555320 /nfs/dbraw/zinc/55/53/20/780555320.db2.gz SNKKQQQAHHCRBP-DTWKUNHWSA-N 2 2 285.348 -2.566 20 0 CAADLP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001246493930 780555545 /nfs/dbraw/zinc/55/55/45/780555545.db2.gz UHPUMZXQFNNYCY-UHFFFAOYSA-N 2 2 271.321 -2.954 20 0 CAADLP COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC001246496108 780555599 /nfs/dbraw/zinc/55/55/99/780555599.db2.gz JCNKYLSNBJRMGZ-ZRUFSTJUSA-N 2 2 285.344 -1.369 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CN1 ZINC001246495317 780555687 /nfs/dbraw/zinc/55/56/87/780555687.db2.gz JDCZOCHYQOEWKV-DCAQKATOSA-N 2 2 256.350 -1.569 20 0 CAADLP COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CC[NH2+]C1 ZINC001246496105 780555796 /nfs/dbraw/zinc/55/57/96/780555796.db2.gz JCNKYLSNBJRMGZ-VPOLOUISSA-N 2 2 285.344 -1.369 20 0 CAADLP NC(=O)CNC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246491344 780555887 /nfs/dbraw/zinc/55/58/87/780555887.db2.gz PHUWZGCQFFBFSM-ULKQDVFKSA-N 2 2 297.359 -2.423 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627262 780560092 /nfs/dbraw/zinc/56/00/92/780560092.db2.gz UWCQIFLANKQCPQ-GVXVVHGQSA-N 3 2 268.361 -1.473 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632657 780560498 /nfs/dbraw/zinc/56/04/98/780560498.db2.gz WCPXHBGBXZVRJI-ZFWWWQNUSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632657 780560505 /nfs/dbraw/zinc/56/05/05/780560505.db2.gz WCPXHBGBXZVRJI-ZFWWWQNUSA-N 3 2 296.415 -1.229 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@@H](C(N)=O)C2)C[NH2+]1 ZINC001246797906 780561237 /nfs/dbraw/zinc/56/12/37/780561237.db2.gz QEWZMEQKCPBTLR-XHNCKOQMSA-N 2 2 256.306 -2.351 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1 ZINC001246679226 780561621 /nfs/dbraw/zinc/56/16/21/780561621.db2.gz ZHXHZKKPCKITRR-YTWAJWBKSA-N 2 2 255.318 -1.438 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@H](C(N)=O)C2)C[NH2+]1 ZINC001246797882 780561747 /nfs/dbraw/zinc/56/17/47/780561747.db2.gz QEWZMEQKCPBTLR-CIUDSAMLSA-N 2 2 256.306 -2.351 20 0 CAADLP [NH3+][C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990791 780565808 /nfs/dbraw/zinc/56/58/08/780565808.db2.gz QPSQBPUNONXYRO-QWRGUYRKSA-N 3 2 252.362 -1.260 20 0 CAADLP [NH3+][C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990791 780565810 /nfs/dbraw/zinc/56/58/10/780565810.db2.gz QPSQBPUNONXYRO-QWRGUYRKSA-N 3 2 252.362 -1.260 20 0 CAADLP C[NH+]1CCC(CO)([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251048071 780573228 /nfs/dbraw/zinc/57/32/28/780573228.db2.gz BXZRXMPOBZRFMA-ZDUSSCGKSA-N 2 2 287.404 -1.274 20 0 CAADLP C[NH+]1CCC(CO)([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251048070 780573529 /nfs/dbraw/zinc/57/35/29/780573529.db2.gz BXZRXMPOBZRFMA-CYBMUJFWSA-N 2 2 287.404 -1.274 20 0 CAADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCS(N)(=O)=O ZINC001253204008 780591686 /nfs/dbraw/zinc/59/16/86/780591686.db2.gz NPWFUUGROLPSNQ-VIFPVBQESA-N 2 2 253.368 -1.433 20 0 CAADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001253206505 780591796 /nfs/dbraw/zinc/59/17/96/780591796.db2.gz ODDNEQKJHSUMDH-VEGXAWMVSA-N 2 2 276.377 -1.619 20 0 CAADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001253206504 780592276 /nfs/dbraw/zinc/59/22/76/780592276.db2.gz ODDNEQKJHSUMDH-MLGHIDQZSA-N 2 2 276.377 -1.619 20 0 CAADLP NC(=O)CNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074130 780620460 /nfs/dbraw/zinc/62/04/60/780620460.db2.gz LXLWFNBSZPQCBO-UHFFFAOYSA-N 2 2 254.334 -1.196 20 0 CAADLP C[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001256201880 780621036 /nfs/dbraw/zinc/62/10/36/780621036.db2.gz RSUATXPAGSPCCZ-UHFFFAOYSA-N 2 2 285.348 -2.612 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001261632774 780673473 /nfs/dbraw/zinc/67/34/73/780673473.db2.gz MDNYFIJHTGTGPV-VIFPVBQESA-N 2 2 267.333 -1.197 20 0 CAADLP CN(CCOCC[NH3+])C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001261820649 780685717 /nfs/dbraw/zinc/68/57/17/780685717.db2.gz GNJDMFAANLLPBX-UHFFFAOYSA-N 2 2 297.359 -1.177 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001263107703 780721585 /nfs/dbraw/zinc/72/15/85/780721585.db2.gz CVXRVQCULKKLQG-VHSXEESVSA-N 2 2 267.333 -1.133 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1C[NH3+] ZINC001263214360 780724503 /nfs/dbraw/zinc/72/45/03/780724503.db2.gz OVSYSETWXIHZQY-MNOVXSKESA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@@H]1C[NH3+] ZINC001263214359 780725251 /nfs/dbraw/zinc/72/52/51/780725251.db2.gz OVSYSETWXIHZQY-GHMZBOCLSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001265830098 780759748 /nfs/dbraw/zinc/75/97/48/780759748.db2.gz NTOXFEMZHFBKBF-WPRPVWTQSA-N 2 2 265.317 -1.065 20 0 CAADLP C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)CC(N)=O ZINC001265819424 780759975 /nfs/dbraw/zinc/75/99/75/780759975.db2.gz JJYUSHVZBIYURK-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)CC(N)=O ZINC001265819424 780759979 /nfs/dbraw/zinc/75/99/79/780759979.db2.gz JJYUSHVZBIYURK-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001265819424 780759983 /nfs/dbraw/zinc/75/99/83/780759983.db2.gz JJYUSHVZBIYURK-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001265819424 780759986 /nfs/dbraw/zinc/75/99/86/780759986.db2.gz JJYUSHVZBIYURK-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP CNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001265819868 780760026 /nfs/dbraw/zinc/76/00/26/780760026.db2.gz ZJJUWMNZDUWNAC-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001265819868 780760028 /nfs/dbraw/zinc/76/00/28/780760028.db2.gz ZJJUWMNZDUWNAC-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001265819868 780760032 /nfs/dbraw/zinc/76/00/32/780760032.db2.gz ZJJUWMNZDUWNAC-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001265819868 780760037 /nfs/dbraw/zinc/76/00/37/780760037.db2.gz ZJJUWMNZDUWNAC-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001265843503 780762256 /nfs/dbraw/zinc/76/22/56/780762256.db2.gz HRBMPMMIEPJHMJ-SFYZADRCSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CC(N)=O ZINC001282220326 780813738 /nfs/dbraw/zinc/81/37/38/780813738.db2.gz PFCFIFUDRWSHAF-RKDXNWHRSA-N 2 2 267.333 -1.069 20 0 CAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001283701796 780857492 /nfs/dbraw/zinc/85/74/92/780857492.db2.gz GCTKEZPMLLHACW-SECBINFHSA-N 2 2 267.333 -1.116 20 0 CAADLP Cn1ncnc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349792 781362704 /nfs/dbraw/zinc/36/27/04/781362704.db2.gz CJJIQTXLZAKMCJ-UHFFFAOYSA-N 2 2 296.375 -1.257 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350155 781363076 /nfs/dbraw/zinc/36/30/76/781363076.db2.gz OEEMAAHQRKZFEG-UHFFFAOYSA-N 2 2 297.363 -1.862 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+][C@H]1CCNC1=O ZINC001135754452 781382901 /nfs/dbraw/zinc/38/29/01/781382901.db2.gz CNXHLTPBWOFFMS-QMMMGPOBSA-N 2 2 251.290 -1.454 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135754671 781383060 /nfs/dbraw/zinc/38/30/60/781383060.db2.gz GQSJWHMOCOITPX-SECBINFHSA-N 2 2 265.317 -1.063 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755082 781383089 /nfs/dbraw/zinc/38/30/89/781383089.db2.gz LTFRNTXPLHFFLH-UHFFFAOYSA-N 2 2 268.277 -2.147 20 0 CAADLP CC[C@@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001135757730 781383188 /nfs/dbraw/zinc/38/31/88/781383188.db2.gz NEPROILEWHTXAT-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001135765980 781383217 /nfs/dbraw/zinc/38/32/17/781383217.db2.gz DMLHYJQNLJHTPR-ZETCQYMHSA-N 2 2 282.304 -1.759 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001135766023 781383468 /nfs/dbraw/zinc/38/34/68/781383468.db2.gz GCCYRVXXPYDQIA-LLVKDONJSA-N 2 2 292.343 -1.084 20 0 CAADLP COCCCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756404 781383496 /nfs/dbraw/zinc/38/34/96/781383496.db2.gz ZPGKCPSZRQAEMG-UHFFFAOYSA-N 2 2 297.359 -1.189 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOCCO ZINC001135757596 781383702 /nfs/dbraw/zinc/38/37/02/781383702.db2.gz GZOUREVFNGGNCD-UHFFFAOYSA-N 2 2 256.306 -1.333 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135757844 781383808 /nfs/dbraw/zinc/38/38/08/781383808.db2.gz RULSETZXWBYTEE-QMMMGPOBSA-N 2 2 279.300 -1.537 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCn1cncn1 ZINC001135757469 781383998 /nfs/dbraw/zinc/38/39/98/781383998.db2.gz CWXAFTNSRKNBPM-UHFFFAOYSA-N 2 2 263.305 -1.050 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+][C@H]1CCCNC1=O ZINC001135754672 781384342 /nfs/dbraw/zinc/38/43/42/781384342.db2.gz GQSJWHMOCOITPX-VIFPVBQESA-N 2 2 265.317 -1.063 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001135766401 781384552 /nfs/dbraw/zinc/38/45/52/781384552.db2.gz SHERFWUWHWJXCC-UHFFFAOYSA-N 2 2 293.327 -1.193 20 0 CAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760584 781384562 /nfs/dbraw/zinc/38/45/62/781384562.db2.gz OPZLEBVQFAMUTK-MRVPVSSYSA-N 2 2 296.331 -1.498 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)CN1 ZINC001246088078 781403467 /nfs/dbraw/zinc/40/34/67/781403467.db2.gz IPEJOCAQYJJQKH-AXFHLTTASA-N 2 2 257.334 -1.142 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)CN1 ZINC001246088086 781404447 /nfs/dbraw/zinc/40/44/47/781404447.db2.gz IPEJOCAQYJJQKH-MXWKQRLJSA-N 2 2 257.334 -1.142 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCCC[NH2+]C2)CN1 ZINC001246112636 781405642 /nfs/dbraw/zinc/40/56/42/781405642.db2.gz QSKKHTPIISMPHF-NTZNESFSSA-N 2 2 271.361 -1.016 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090538686 781409343 /nfs/dbraw/zinc/40/93/43/781409343.db2.gz KDMNUGVAKKJKIP-RYUDHWBXSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001090538686 781409348 /nfs/dbraw/zinc/40/93/48/781409348.db2.gz KDMNUGVAKKJKIP-RYUDHWBXSA-N 2 2 298.387 -1.635 20 0 CAADLP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CCOC13C[NH2+]C3)CCN2 ZINC001246122763 781409952 /nfs/dbraw/zinc/40/99/52/781409952.db2.gz COKYUFUNGPKTKM-WDEREUQCSA-N 3 2 252.362 -1.199 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246147683 781410371 /nfs/dbraw/zinc/41/03/71/781410371.db2.gz MHBQWBDDZRGWBV-SAVGLBRCSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246147683 781410376 /nfs/dbraw/zinc/41/03/76/781410376.db2.gz MHBQWBDDZRGWBV-SAVGLBRCSA-N 2 2 255.318 -1.534 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090599122 781411100 /nfs/dbraw/zinc/41/11/00/781411100.db2.gz DCQVVEHINMBDPI-NWDGAFQWSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090599122 781411103 /nfs/dbraw/zinc/41/11/03/781411103.db2.gz DCQVVEHINMBDPI-NWDGAFQWSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090601475 781411853 /nfs/dbraw/zinc/41/18/53/781411853.db2.gz RSVVIZDCKGVBNA-GHMZBOCLSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090601477 781412044 /nfs/dbraw/zinc/41/20/44/781412044.db2.gz RSVVIZDCKGVBNA-QWRGUYRKSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090677998 781422247 /nfs/dbraw/zinc/42/22/47/781422247.db2.gz CUKMSOLNDBJMRR-UWVGGRQHSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090677998 781422252 /nfs/dbraw/zinc/42/22/52/781422252.db2.gz CUKMSOLNDBJMRR-UWVGGRQHSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090678997 781422418 /nfs/dbraw/zinc/42/24/18/781422418.db2.gz KKDFQENWRWOIRH-QWRGUYRKSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090678997 781422423 /nfs/dbraw/zinc/42/24/23/781422423.db2.gz KKDFQENWRWOIRH-QWRGUYRKSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090678995 781422641 /nfs/dbraw/zinc/42/26/41/781422641.db2.gz KKDFQENWRWOIRH-GHMZBOCLSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090678995 781422649 /nfs/dbraw/zinc/42/26/49/781422649.db2.gz KKDFQENWRWOIRH-GHMZBOCLSA-N 2 2 282.344 -1.114 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731358 781427305 /nfs/dbraw/zinc/42/73/05/781427305.db2.gz QHRKKAYBLNVDCW-WDEREUQCSA-N 2 2 296.371 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731358 781427308 /nfs/dbraw/zinc/42/73/08/781427308.db2.gz QHRKKAYBLNVDCW-WDEREUQCSA-N 2 2 296.371 -1.881 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090765059 781428828 /nfs/dbraw/zinc/42/88/28/781428828.db2.gz USMFARQUPTZZQF-ZYHUDNBSSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090765059 781428832 /nfs/dbraw/zinc/42/88/32/781428832.db2.gz USMFARQUPTZZQF-ZYHUDNBSSA-N 2 2 282.344 -1.196 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818906 781435429 /nfs/dbraw/zinc/43/54/29/781435429.db2.gz XOLDKQNCYSAXKC-MNOVXSKESA-N 2 2 284.360 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818906 781435434 /nfs/dbraw/zinc/43/54/34/781435434.db2.gz XOLDKQNCYSAXKC-MNOVXSKESA-N 2 2 284.360 -1.881 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090810408 781435468 /nfs/dbraw/zinc/43/54/68/781435468.db2.gz XMICUGZCLSZCDK-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090810408 781435469 /nfs/dbraw/zinc/43/54/69/781435469.db2.gz XMICUGZCLSZCDK-MNOVXSKESA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090810411 781435856 /nfs/dbraw/zinc/43/58/56/781435856.db2.gz XMICUGZCLSZCDK-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090810411 781435859 /nfs/dbraw/zinc/43/58/59/781435859.db2.gz XMICUGZCLSZCDK-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090810406 781435958 /nfs/dbraw/zinc/43/59/58/781435958.db2.gz XMICUGZCLSZCDK-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090810406 781435963 /nfs/dbraw/zinc/43/59/63/781435963.db2.gz XMICUGZCLSZCDK-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812231 781436014 /nfs/dbraw/zinc/43/60/14/781436014.db2.gz FZNTXJNIJKVUFM-NWDGAFQWSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812231 781436018 /nfs/dbraw/zinc/43/60/18/781436018.db2.gz FZNTXJNIJKVUFM-NWDGAFQWSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812234 781436044 /nfs/dbraw/zinc/43/60/44/781436044.db2.gz FZNTXJNIJKVUFM-VXGBXAGGSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090812234 781436049 /nfs/dbraw/zinc/43/60/49/781436049.db2.gz FZNTXJNIJKVUFM-VXGBXAGGSA-N 2 2 298.387 -1.620 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090848405 781437092 /nfs/dbraw/zinc/43/70/92/781437092.db2.gz GCNFUHPCNXSELV-WDEREUQCSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090848405 781437095 /nfs/dbraw/zinc/43/70/95/781437095.db2.gz GCNFUHPCNXSELV-WDEREUQCSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090848621 781437308 /nfs/dbraw/zinc/43/73/08/781437308.db2.gz GTLILPOULHDMGC-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090848621 781437313 /nfs/dbraw/zinc/43/73/13/781437313.db2.gz GTLILPOULHDMGC-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)CN(C)C(N)=[NH2+] ZINC001144143623 781444496 /nfs/dbraw/zinc/44/44/96/781444496.db2.gz QYDULIPHYIIHEL-UHFFFAOYSA-N 2 2 268.321 -1.029 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144134993 781444566 /nfs/dbraw/zinc/44/45/66/781444566.db2.gz BOCJRXXDYFJSRA-MRVPVSSYSA-N 2 2 271.321 -1.873 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144134993 781444568 /nfs/dbraw/zinc/44/45/68/781444568.db2.gz BOCJRXXDYFJSRA-MRVPVSSYSA-N 2 2 271.321 -1.873 20 0 CAADLP O=C(N1CC(N2CCNC(=O)C2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160638169 781457403 /nfs/dbraw/zinc/45/74/03/781457403.db2.gz XSZABHDITYYEDD-IINYFYTJSA-N 2 2 293.371 -2.420 20 0 CAADLP O=C(N1CC(N2CCNC(=O)C2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160638168 781457775 /nfs/dbraw/zinc/45/77/75/781457775.db2.gz XSZABHDITYYEDD-HZMBPMFUSA-N 2 2 293.371 -2.420 20 0 CAADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160689561 781462103 /nfs/dbraw/zinc/46/21/03/781462103.db2.gz YUGIQHCERJRCPL-VIFPVBQESA-N 2 2 267.337 -1.376 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171204555 781462186 /nfs/dbraw/zinc/46/21/86/781462186.db2.gz CDWVXIMWZNTJGB-UHFFFAOYSA-N 2 2 299.379 -1.616 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001171237421 781465201 /nfs/dbraw/zinc/46/52/01/781465201.db2.gz JKTFTSLDYUJFDQ-SECBINFHSA-N 2 2 267.333 -1.068 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(N)=O ZINC001171238970 781466986 /nfs/dbraw/zinc/46/69/86/781466986.db2.gz VIZQBMUPWUJFNV-UHFFFAOYSA-N 2 2 253.306 -1.456 20 0 CAADLP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCc2[nH+]ccn2CC1 ZINC001160761344 781476693 /nfs/dbraw/zinc/47/66/93/781476693.db2.gz YZEXGBOONCKCTR-ZJUUUORDSA-N 2 2 250.302 -1.152 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001149122792 781485757 /nfs/dbraw/zinc/48/57/57/781485757.db2.gz BJALQMHBSKBURV-UHFFFAOYSA-N 2 2 294.359 -1.008 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001149124038 781502788 /nfs/dbraw/zinc/50/27/88/781502788.db2.gz PETSQIIRBRWKNP-UHFFFAOYSA-N 2 2 282.304 -1.839 20 0 CAADLP COC[C@@H](O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124565 781511783 /nfs/dbraw/zinc/51/17/83/781511783.db2.gz UXMNLXQJKBYDIG-JTQLQIEISA-N 2 2 270.333 -1.026 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001147871929 781524202 /nfs/dbraw/zinc/52/42/02/781524202.db2.gz SIWJNSOUFGCCBB-SNVBAGLBSA-N 2 2 265.317 -1.443 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)NC(N)=O ZINC001147915906 781524364 /nfs/dbraw/zinc/52/43/64/781524364.db2.gz PTOANIISWMZYNE-QMMMGPOBSA-N 2 2 296.331 -1.748 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001147871988 781524457 /nfs/dbraw/zinc/52/44/57/781524457.db2.gz WFLFVSXEDBVKQA-NSHDSACASA-N 2 2 279.344 -1.053 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001147900031 781524554 /nfs/dbraw/zinc/52/45/54/781524554.db2.gz HMFWJLRUESTNES-UHFFFAOYSA-N 2 2 279.344 -1.099 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871665 781524702 /nfs/dbraw/zinc/52/47/02/781524702.db2.gz HIPQCLBXRKBAIL-UHFFFAOYSA-N 2 2 296.331 -1.876 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001147877738 781524940 /nfs/dbraw/zinc/52/49/40/781524940.db2.gz OEMGNYVQCBYSFP-JTQLQIEISA-N 2 2 296.375 -1.344 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001147877738 781524949 /nfs/dbraw/zinc/52/49/49/781524949.db2.gz OEMGNYVQCBYSFP-JTQLQIEISA-N 2 2 296.375 -1.344 20 0 CAADLP CC[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001147877242 781525432 /nfs/dbraw/zinc/52/54/32/781525432.db2.gz HUDHLBNVVWSLJI-SNVBAGLBSA-N 2 2 267.333 -1.068 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001147871928 781525443 /nfs/dbraw/zinc/52/54/43/781525443.db2.gz SIWJNSOUFGCCBB-JTQLQIEISA-N 2 2 265.317 -1.443 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001161139272 781538064 /nfs/dbraw/zinc/53/80/64/781538064.db2.gz PSPORJMXJATLNS-SKDRFNHKSA-N 2 2 271.317 -1.532 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001148638062 781538225 /nfs/dbraw/zinc/53/82/25/781538225.db2.gz AHRLXQHPUSPUAQ-UHFFFAOYSA-N 2 2 269.353 -1.242 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001148638062 781538234 /nfs/dbraw/zinc/53/82/34/781538234.db2.gz AHRLXQHPUSPUAQ-UHFFFAOYSA-N 2 2 269.353 -1.242 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001161138109 781538716 /nfs/dbraw/zinc/53/87/16/781538716.db2.gz NGEHOCWIZFBYLQ-VXGBXAGGSA-N 2 2 270.333 -1.830 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138603 781539249 /nfs/dbraw/zinc/53/92/49/781539249.db2.gz WWEJSVWVUFUEKZ-CABZTGNLSA-N 3 2 272.349 -1.455 20 0 CAADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)CC2)C1(F)F ZINC000715086215 781555367 /nfs/dbraw/zinc/55/53/67/781555367.db2.gz TZRNROWUKLMRQF-RKDXNWHRSA-N 2 2 263.288 -1.037 20 0 CAADLP COCCC[NH+]1CCC([NH2+][C@H](CO)C(N)=O)CC1 ZINC001172247623 781576138 /nfs/dbraw/zinc/57/61/38/781576138.db2.gz REAFXHJORSJABG-LLVKDONJSA-N 2 2 259.350 -1.077 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001176381387 781600218 /nfs/dbraw/zinc/60/02/18/781600218.db2.gz WUMCCBJEMHJERI-GXSJLCMTSA-N 2 2 265.317 -1.065 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001176381387 781600228 /nfs/dbraw/zinc/60/02/28/781600228.db2.gz WUMCCBJEMHJERI-GXSJLCMTSA-N 2 2 265.317 -1.065 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCO ZINC001176379898 781600864 /nfs/dbraw/zinc/60/08/64/781600864.db2.gz JOJYPDPSRNCVEA-LLVKDONJSA-N 2 2 283.332 -1.845 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCO ZINC001176379898 781600868 /nfs/dbraw/zinc/60/08/68/781600868.db2.gz JOJYPDPSRNCVEA-LLVKDONJSA-N 2 2 283.332 -1.845 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH3+])COC1 ZINC001176379918 781601134 /nfs/dbraw/zinc/60/11/34/781601134.db2.gz KUKOEBVKDXDVOA-SNVBAGLBSA-N 2 2 281.316 -1.699 20 0 CAADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH3+])COC1 ZINC001176379918 781601139 /nfs/dbraw/zinc/60/11/39/781601139.db2.gz KUKOEBVKDXDVOA-SNVBAGLBSA-N 2 2 281.316 -1.699 20 0 CAADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675879 781604466 /nfs/dbraw/zinc/60/44/66/781604466.db2.gz OLXRKPIBOPSDLH-CYBMUJFWSA-N 2 2 298.387 -1.322 20 0 CAADLP [NH3+]CCN(CCNC(=O)CCn1cc[nH+]c1)N(O)N=O ZINC001176883819 781608191 /nfs/dbraw/zinc/60/81/91/781608191.db2.gz ORUCBFUZAXHWLK-UHFFFAOYSA-N 2 2 285.308 -1.062 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001177404502 781619270 /nfs/dbraw/zinc/61/92/70/781619270.db2.gz BLQXHKYLEGDOKI-VIFPVBQESA-N 2 2 253.306 -1.147 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCOCCO ZINC001177406276 781619348 /nfs/dbraw/zinc/61/93/48/781619348.db2.gz VQFOCWJWMRRXGF-UHFFFAOYSA-N 2 2 270.333 -1.012 20 0 CAADLP Cn1[nH]c(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)nc1=O ZINC001177400621 781619363 /nfs/dbraw/zinc/61/93/63/781619363.db2.gz JJHKVSDJUOGRNR-UHFFFAOYSA-N 2 2 293.331 -1.399 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400966 781619753 /nfs/dbraw/zinc/61/97/53/781619753.db2.gz OTVKWHAYHKPQHY-UHFFFAOYSA-N 2 2 296.331 -1.565 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180758217 781675391 /nfs/dbraw/zinc/67/53/91/781675391.db2.gz ANGXHJJDOUTNGF-VIFPVBQESA-N 3 2 257.338 -1.222 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180758217 781675394 /nfs/dbraw/zinc/67/53/94/781675394.db2.gz ANGXHJJDOUTNGF-VIFPVBQESA-N 3 2 257.338 -1.222 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178415039 781634159 /nfs/dbraw/zinc/63/41/59/781634159.db2.gz ZATYAFOIGWRKRW-SRVKXCTJSA-N 2 2 298.387 -1.358 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178415039 781634166 /nfs/dbraw/zinc/63/41/66/781634166.db2.gz ZATYAFOIGWRKRW-SRVKXCTJSA-N 2 2 298.387 -1.358 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001178702077 781638144 /nfs/dbraw/zinc/63/81/44/781638144.db2.gz QISWNTMPMMTTSG-RCWTZXSCSA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001178702077 781638148 /nfs/dbraw/zinc/63/81/48/781638148.db2.gz QISWNTMPMMTTSG-RCWTZXSCSA-N 2 2 268.365 -2.010 20 0 CAADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CC3(COC3)C2)CC1 ZINC001178953358 781643602 /nfs/dbraw/zinc/64/36/02/781643602.db2.gz GMPKKBYQJLDWAE-UHFFFAOYSA-N 2 2 282.388 -1.318 20 0 CAADLP CC[NH+](CC)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001180390894 781664461 /nfs/dbraw/zinc/66/44/61/781664461.db2.gz BNQQWJPYABYLHQ-DCAQKATOSA-N 2 2 256.354 -2.153 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001180761506 781676471 /nfs/dbraw/zinc/67/64/71/781676471.db2.gz ZFQCLPNNTYFNDK-SECBINFHSA-N 2 2 251.290 -1.208 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001180761506 781676475 /nfs/dbraw/zinc/67/64/75/781676475.db2.gz ZFQCLPNNTYFNDK-SECBINFHSA-N 2 2 251.290 -1.208 20 0 CAADLP Nc1cc(CC(=O)NCCN(CC[NH3+])N(O)N=O)cc[nH+]1 ZINC001181279612 781690104 /nfs/dbraw/zinc/69/01/04/781690104.db2.gz MCUUHXONRHQXCZ-UHFFFAOYSA-N 2 2 297.319 -1.129 20 0 CAADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001182002524 781702620 /nfs/dbraw/zinc/70/26/20/781702620.db2.gz UNUKQNAAMQRVEU-NOOOWODRSA-N 2 2 282.392 -1.620 20 0 CAADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001182002524 781702626 /nfs/dbraw/zinc/70/26/26/781702626.db2.gz UNUKQNAAMQRVEU-NOOOWODRSA-N 2 2 282.392 -1.620 20 0 CAADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001182002527 781703601 /nfs/dbraw/zinc/70/36/01/781703601.db2.gz UNUKQNAAMQRVEU-RHYQMDGZSA-N 2 2 282.392 -1.620 20 0 CAADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001182002527 781703605 /nfs/dbraw/zinc/70/36/05/781703605.db2.gz UNUKQNAAMQRVEU-RHYQMDGZSA-N 2 2 282.392 -1.620 20 0 CAADLP C[NH+]1CCC(O)(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001182033760 781704882 /nfs/dbraw/zinc/70/48/82/781704882.db2.gz PNLOPNIZYJDEDQ-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC(O)(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001182033760 781704887 /nfs/dbraw/zinc/70/48/87/781704887.db2.gz PNLOPNIZYJDEDQ-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC(O)(C(=O)NCC[NH+]2CC3(COC3)C2)CC1 ZINC001182036049 781705275 /nfs/dbraw/zinc/70/52/75/781705275.db2.gz JYAQIUNRHTVELJ-UHFFFAOYSA-N 2 2 283.372 -1.109 20 0 CAADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001182871660 781729910 /nfs/dbraw/zinc/72/99/10/781729910.db2.gz SOMKIEWAYQNMKG-ZRUFSTJUSA-N 2 2 268.365 -2.012 20 0 CAADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001182871660 781729912 /nfs/dbraw/zinc/72/99/12/781729912.db2.gz SOMKIEWAYQNMKG-ZRUFSTJUSA-N 2 2 268.365 -2.012 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185258584 781779931 /nfs/dbraw/zinc/77/99/31/781779931.db2.gz WMAHSFYJLVMBEP-NWDGAFQWSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185258584 781779937 /nfs/dbraw/zinc/77/99/37/781779937.db2.gz WMAHSFYJLVMBEP-NWDGAFQWSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185258584 781779941 /nfs/dbraw/zinc/77/99/41/781779941.db2.gz WMAHSFYJLVMBEP-NWDGAFQWSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185258584 781779946 /nfs/dbraw/zinc/77/99/46/781779946.db2.gz WMAHSFYJLVMBEP-NWDGAFQWSA-N 2 2 298.387 -1.452 20 0 CAADLP Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001185408752 781786064 /nfs/dbraw/zinc/78/60/64/781786064.db2.gz YGVNZGBRNLBZRY-SNVBAGLBSA-N 2 2 296.375 -1.249 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919000 781791335 /nfs/dbraw/zinc/79/13/35/781791335.db2.gz RBXQWRJYNGFQJJ-SECBINFHSA-N 2 2 265.317 -1.111 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186034425 781791852 /nfs/dbraw/zinc/79/18/52/781791852.db2.gz UFSXDDJLLKUWFM-QMMMGPOBSA-N 2 2 265.335 -2.200 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186034425 781791859 /nfs/dbraw/zinc/79/18/59/781791859.db2.gz UFSXDDJLLKUWFM-QMMMGPOBSA-N 2 2 265.335 -2.200 20 0 CAADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186037118 781792901 /nfs/dbraw/zinc/79/29/01/781792901.db2.gz FHRIATKYXVYECX-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186037118 781792904 /nfs/dbraw/zinc/79/29/04/781792904.db2.gz FHRIATKYXVYECX-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP O=C(C[N@H+]1CC[C@H](O)C1)NCC[NH+]1CC2(COC2)C1 ZINC001186056291 781798420 /nfs/dbraw/zinc/79/84/20/781798420.db2.gz XECVMSHENYECDT-NSHDSACASA-N 2 2 269.345 -1.499 20 0 CAADLP O=C(C[N@@H+]1CC[C@H](O)C1)NCC[NH+]1CC2(COC2)C1 ZINC001186056291 781798428 /nfs/dbraw/zinc/79/84/28/781798428.db2.gz XECVMSHENYECDT-NSHDSACASA-N 2 2 269.345 -1.499 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@@H]2NCN[C@H]21 ZINC001186057723 781798743 /nfs/dbraw/zinc/79/87/43/781798743.db2.gz NPSHBKPEKGGGBU-BBHBSTQDSA-N 2 2 270.337 -3.428 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@@H]2NCN[C@H]21 ZINC001186057723 781798747 /nfs/dbraw/zinc/79/87/47/781798747.db2.gz NPSHBKPEKGGGBU-BBHBSTQDSA-N 2 2 270.337 -3.428 20 0 CAADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001186115779 781800520 /nfs/dbraw/zinc/80/05/20/781800520.db2.gz NAKJXWKIWDPJQP-NWDGAFQWSA-N 2 2 299.371 -1.072 20 0 CAADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001186115779 781800529 /nfs/dbraw/zinc/80/05/29/781800529.db2.gz NAKJXWKIWDPJQP-NWDGAFQWSA-N 2 2 299.371 -1.072 20 0 CAADLP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC001186115779 781800537 /nfs/dbraw/zinc/80/05/37/781800537.db2.gz NAKJXWKIWDPJQP-NWDGAFQWSA-N 2 2 299.371 -1.072 20 0 CAADLP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001186115779 781800547 /nfs/dbraw/zinc/80/05/47/781800547.db2.gz NAKJXWKIWDPJQP-NWDGAFQWSA-N 2 2 299.371 -1.072 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576092 781807837 /nfs/dbraw/zinc/80/78/37/781807837.db2.gz LLULYGUROFZEFR-MRVPVSSYSA-N 2 2 294.315 -1.662 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001151749446 781850663 /nfs/dbraw/zinc/85/06/63/781850663.db2.gz YJUXTDXUQUCZRF-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001151749446 781850674 /nfs/dbraw/zinc/85/06/74/781850674.db2.gz YJUXTDXUQUCZRF-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001420309506 890429013 /nfs/dbraw/zinc/42/90/13/890429013.db2.gz VBELTPWIWXUZML-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421420399 890510290 /nfs/dbraw/zinc/51/02/90/890510290.db2.gz VJLWDZNYSKBNGG-MNOVXSKESA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421420399 890510297 /nfs/dbraw/zinc/51/02/97/890510297.db2.gz VJLWDZNYSKBNGG-MNOVXSKESA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001423479156 890680433 /nfs/dbraw/zinc/68/04/33/890680433.db2.gz LRNXSJBZLROJHC-CMPLNLGQSA-N 2 2 284.360 -1.248 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001423479170 890680450 /nfs/dbraw/zinc/68/04/50/890680450.db2.gz LRNXSJBZLROJHC-ZYHUDNBSSA-N 2 2 284.360 -1.248 20 0 CAADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC001423542723 890684223 /nfs/dbraw/zinc/68/42/23/890684223.db2.gz WAONINLPSIIIHT-LBPRGKRZSA-N 2 2 284.360 -1.294 20 0 CAADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC001423542723 890684231 /nfs/dbraw/zinc/68/42/31/890684231.db2.gz WAONINLPSIIIHT-LBPRGKRZSA-N 2 2 284.360 -1.294 20 0 CAADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001425789645 890819249 /nfs/dbraw/zinc/81/92/49/890819249.db2.gz PSKHCYXGBBYUCT-GHMZBOCLSA-N 2 2 284.360 -1.200 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001426038575 890848152 /nfs/dbraw/zinc/84/81/52/890848152.db2.gz BTTWMXGPBKVLQA-VIFPVBQESA-N 2 2 283.332 -1.845 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001426038568 890849147 /nfs/dbraw/zinc/84/91/47/890849147.db2.gz BTTWMXGPBKVLQA-SECBINFHSA-N 2 2 283.332 -1.845 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC001434478314 891120685 /nfs/dbraw/zinc/12/06/85/891120685.db2.gz RWEKQPIDERSSKH-AVGNSLFASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC001434478314 891120694 /nfs/dbraw/zinc/12/06/94/891120694.db2.gz RWEKQPIDERSSKH-AVGNSLFASA-N 2 2 276.377 -1.257 20 0 CAADLP CNC(=O)C[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC001318251247 884260621 /nfs/dbraw/zinc/26/06/21/884260621.db2.gz XPIPJVXEPALOLA-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCN(C=O)CC2)CC1 ZINC001320878778 884451937 /nfs/dbraw/zinc/45/19/37/884451937.db2.gz CJJFBZSIDHAEFR-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597712 884909198 /nfs/dbraw/zinc/90/91/98/884909198.db2.gz SPCWAUFUVUUCRF-OLZOCXBDSA-N 3 2 254.378 -1.046 20 0 CAADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597712 884909211 /nfs/dbraw/zinc/90/92/11/884909211.db2.gz SPCWAUFUVUUCRF-OLZOCXBDSA-N 3 2 254.378 -1.046 20 0 CAADLP C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC001332226528 885387742 /nfs/dbraw/zinc/38/77/42/885387742.db2.gz UAKJVVWNGSXBRZ-CMPLNLGQSA-N 2 2 268.317 -1.089 20 0 CAADLP COCC[NH2+]CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001332518183 885416233 /nfs/dbraw/zinc/41/62/33/885416233.db2.gz WRTDQVVJKGSGHQ-SNVBAGLBSA-N 2 2 272.349 -1.712 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001332574685 885424441 /nfs/dbraw/zinc/42/44/41/885424441.db2.gz GSWIZIFVFJVNKV-NSHDSACASA-N 2 2 270.333 -1.257 20 0 CAADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001333376632 885473717 /nfs/dbraw/zinc/47/37/17/885473717.db2.gz VVBMICFQUTWKFC-VHSXEESVSA-N 2 2 265.317 -1.053 20 0 CAADLP NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001337196756 885695454 /nfs/dbraw/zinc/69/54/54/885695454.db2.gz DGVLMKXUGDOPQB-UHFFFAOYSA-N 2 2 257.334 -1.369 20 0 CAADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001337339073 885698341 /nfs/dbraw/zinc/69/83/41/885698341.db2.gz OYENWCYKZIIJGJ-SNVBAGLBSA-N 2 2 265.317 -1.051 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH2+]CC1=O ZINC001341420346 885837347 /nfs/dbraw/zinc/83/73/47/885837347.db2.gz WXSZVQUUIOMANI-UKKRHICBSA-N 2 2 266.345 -1.184 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CNCC[NH3+])[C@@H](C)CO1 ZINC001341353159 885834428 /nfs/dbraw/zinc/83/44/28/885834428.db2.gz YZIYEYWKFUXOCT-QWRGUYRKSA-N 2 2 258.366 -1.240 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CNCC[NH3+])[C@@H](C)CO1 ZINC001341353159 885834440 /nfs/dbraw/zinc/83/44/40/885834440.db2.gz YZIYEYWKFUXOCT-QWRGUYRKSA-N 2 2 258.366 -1.240 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341367222 885834483 /nfs/dbraw/zinc/83/44/83/885834483.db2.gz HYKGEOSJXMCWBM-VIFPVBQESA-N 2 2 268.317 -2.335 20 0 CAADLP C[C@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC001342110337 885871617 /nfs/dbraw/zinc/87/16/17/885871617.db2.gz FYHNBLZZKCCSRG-ZJUUUORDSA-N 2 2 268.361 -1.079 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1C[NH2+]CC12CC2 ZINC001342203360 885874806 /nfs/dbraw/zinc/87/48/06/885874806.db2.gz XGVQBPHGHIGZDY-VIFPVBQESA-N 2 2 252.318 -1.714 20 0 CAADLP [NH3+]CC[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC001341870128 885861393 /nfs/dbraw/zinc/86/13/93/885861393.db2.gz BRHDMBJVAJWLTN-SNVBAGLBSA-N 2 2 254.334 -1.385 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](CO)C1 ZINC001346227534 885993382 /nfs/dbraw/zinc/99/33/82/885993382.db2.gz ALNGJFHUFNIEOY-RKDXNWHRSA-N 2 2 256.306 -1.775 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](CO)C1 ZINC001346227534 885993386 /nfs/dbraw/zinc/99/33/86/885993386.db2.gz ALNGJFHUFNIEOY-RKDXNWHRSA-N 2 2 256.306 -1.775 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2CCNC2=O)CC1 ZINC001346570857 886011776 /nfs/dbraw/zinc/01/17/76/886011776.db2.gz VSQYYXIFZGIMJY-JTQLQIEISA-N 2 2 269.349 -1.403 20 0 CAADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001352802781 886247821 /nfs/dbraw/zinc/24/78/21/886247821.db2.gz KGMLPCNCZNUQLF-GHMZBOCLSA-N 2 2 262.350 -1.599 20 0 CAADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001354342484 886311440 /nfs/dbraw/zinc/31/14/40/886311440.db2.gz FZDITVOXNQOGMR-KXUCPTDWSA-N 2 2 250.302 -1.106 20 0 CAADLP C[C@H](C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC001358476811 886427771 /nfs/dbraw/zinc/42/77/71/886427771.db2.gz VKMJPVGCPXRWAI-OPRDCNLKSA-N 2 2 254.334 -1.340 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369347752 887550515 /nfs/dbraw/zinc/55/05/15/887550515.db2.gz MALJRQGATURZJM-JTQLQIEISA-N 2 2 284.364 -1.667 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376237009 887915478 /nfs/dbraw/zinc/91/54/78/887915478.db2.gz QYOZFJHNIQMVDV-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001376237009 887915481 /nfs/dbraw/zinc/91/54/81/887915481.db2.gz QYOZFJHNIQMVDV-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378016887 888029159 /nfs/dbraw/zinc/02/91/59/888029159.db2.gz UOCJAWYAEJLRMR-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378016887 888029168 /nfs/dbraw/zinc/02/91/68/888029168.db2.gz UOCJAWYAEJLRMR-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394048084 888812215 /nfs/dbraw/zinc/81/22/15/888812215.db2.gz OXQNULXEYODITP-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394048084 888812233 /nfs/dbraw/zinc/81/22/33/888812233.db2.gz OXQNULXEYODITP-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394048084 888812250 /nfs/dbraw/zinc/81/22/50/888812250.db2.gz OXQNULXEYODITP-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394048084 888812271 /nfs/dbraw/zinc/81/22/71/888812271.db2.gz OXQNULXEYODITP-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394048088 888814979 /nfs/dbraw/zinc/81/49/79/888814979.db2.gz OXQNULXEYODITP-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394048088 888814982 /nfs/dbraw/zinc/81/49/82/888814982.db2.gz OXQNULXEYODITP-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394641717 888870900 /nfs/dbraw/zinc/87/09/00/888870900.db2.gz GAHSXFALKMDTNN-IUCAKERBSA-N 2 2 283.332 -1.717 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001401568270 889161658 /nfs/dbraw/zinc/16/16/58/889161658.db2.gz ZOMLVSPTMSPZJU-GXSJLCMTSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001401568270 889161662 /nfs/dbraw/zinc/16/16/62/889161662.db2.gz ZOMLVSPTMSPZJU-GXSJLCMTSA-N 2 2 270.333 -1.210 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401585194 889164473 /nfs/dbraw/zinc/16/44/73/889164473.db2.gz YPWHGERYKYXIBK-JTQLQIEISA-N 2 2 283.332 -1.893 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)nn1 ZINC001403693440 889349102 /nfs/dbraw/zinc/34/91/02/889349102.db2.gz BPYPQTCTMBUGGH-LLVKDONJSA-N 2 2 284.364 -1.667 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403866326 889382000 /nfs/dbraw/zinc/38/20/00/889382000.db2.gz DNGOMLDWKMADNP-JTQLQIEISA-N 2 2 283.332 -1.893 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC001413017391 889923486 /nfs/dbraw/zinc/92/34/86/889923486.db2.gz FYYKJGLGVYENDG-SDDRHHMPSA-N 2 2 290.360 -1.154 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC001413017391 889923494 /nfs/dbraw/zinc/92/34/94/889923494.db2.gz FYYKJGLGVYENDG-SDDRHHMPSA-N 2 2 290.360 -1.154 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001418522984 890230931 /nfs/dbraw/zinc/23/09/31/890230931.db2.gz BONZXRADWFBIAS-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001418522984 890230942 /nfs/dbraw/zinc/23/09/42/890230942.db2.gz BONZXRADWFBIAS-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001317278414 884184429 /nfs/dbraw/zinc/18/44/29/884184429.db2.gz DFCXSWZFEYKHCS-IUCAKERBSA-N 2 2 293.327 -1.148 20 0 CAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001317278412 884186086 /nfs/dbraw/zinc/18/60/86/884186086.db2.gz DFCXSWZFEYKHCS-DTWKUNHWSA-N 2 2 293.327 -1.148 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001317291266 884186302 /nfs/dbraw/zinc/18/63/02/884186302.db2.gz WEQFUMJDAKRSQF-VHSXEESVSA-N 2 2 293.327 -1.217 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317356876 884192618 /nfs/dbraw/zinc/19/26/18/884192618.db2.gz PQBQGVPJDCCUOC-JTQLQIEISA-N 2 2 265.317 -1.194 20 0 CAADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317469178 884204190 /nfs/dbraw/zinc/20/41/90/884204190.db2.gz BXPLBPUBEXVRHW-JTQLQIEISA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317469178 884204203 /nfs/dbraw/zinc/20/42/03/884204203.db2.gz BXPLBPUBEXVRHW-JTQLQIEISA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317469178 884204219 /nfs/dbraw/zinc/20/42/19/884204219.db2.gz BXPLBPUBEXVRHW-JTQLQIEISA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317469178 884204231 /nfs/dbraw/zinc/20/42/31/884204231.db2.gz BXPLBPUBEXVRHW-JTQLQIEISA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317469181 884204687 /nfs/dbraw/zinc/20/46/87/884204687.db2.gz BXPLBPUBEXVRHW-SNVBAGLBSA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317469181 884204705 /nfs/dbraw/zinc/20/47/05/884204705.db2.gz BXPLBPUBEXVRHW-SNVBAGLBSA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317469181 884204723 /nfs/dbraw/zinc/20/47/23/884204723.db2.gz BXPLBPUBEXVRHW-SNVBAGLBSA-N 2 2 256.350 -1.268 20 0 CAADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317469181 884204739 /nfs/dbraw/zinc/20/47/39/884204739.db2.gz BXPLBPUBEXVRHW-SNVBAGLBSA-N 2 2 256.350 -1.268 20 0 CAADLP CC[C@H](C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001317598939 884225191 /nfs/dbraw/zinc/22/51/91/884225191.db2.gz MSGUUFWLYISFLX-SNVBAGLBSA-N 2 2 298.391 -1.003 20 0 CAADLP C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001318756826 884292887 /nfs/dbraw/zinc/29/28/87/884292887.db2.gz INUNAZIOFJXHHL-AWEZNQCLSA-N 2 2 297.447 -1.014 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CCO ZINC001320285379 884407496 /nfs/dbraw/zinc/40/74/96/884407496.db2.gz ZNWRDXQYOIGFHB-GXSJLCMTSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CCO ZINC001320285379 884407505 /nfs/dbraw/zinc/40/75/05/884407505.db2.gz ZNWRDXQYOIGFHB-GXSJLCMTSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001320291901 884410390 /nfs/dbraw/zinc/41/03/90/884410390.db2.gz GKSFRQVUIVQWGR-SFYZADRCSA-N 2 2 269.305 -2.107 20 0 CAADLP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320702696 884442082 /nfs/dbraw/zinc/44/20/82/884442082.db2.gz GAMFJEROABZWON-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320702696 884442094 /nfs/dbraw/zinc/44/20/94/884442094.db2.gz GAMFJEROABZWON-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001321306642 884486786 /nfs/dbraw/zinc/48/67/86/884486786.db2.gz IRACECPJOIVUTN-IHWYPQMZSA-N 2 2 265.317 -1.040 20 0 CAADLP NC(=O)C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001321307411 884486950 /nfs/dbraw/zinc/48/69/50/884486950.db2.gz NZDHSWUDSQYJRS-UPHRSURJSA-N 2 2 251.290 -1.301 20 0 CAADLP NC(=O)C[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001321307405 884487777 /nfs/dbraw/zinc/48/77/77/884487777.db2.gz NZDHSWUDSQYJRS-OWOJBTEDSA-N 2 2 251.290 -1.301 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC001322733586 884573862 /nfs/dbraw/zinc/57/38/62/884573862.db2.gz YKPDPCKDSRUDKG-ZDUSSCGKSA-N 2 2 283.420 -1.404 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC001322733586 884573873 /nfs/dbraw/zinc/57/38/73/884573873.db2.gz YKPDPCKDSRUDKG-ZDUSSCGKSA-N 2 2 283.420 -1.404 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC001327196561 884866999 /nfs/dbraw/zinc/86/69/99/884866999.db2.gz QXNBOOOPSZQUEH-SNVBAGLBSA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC001327196561 884867014 /nfs/dbraw/zinc/86/70/14/884867014.db2.gz QXNBOOOPSZQUEH-SNVBAGLBSA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC001327196560 884867654 /nfs/dbraw/zinc/86/76/54/884867654.db2.gz QXNBOOOPSZQUEH-JTQLQIEISA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC001327196560 884867666 /nfs/dbraw/zinc/86/76/66/884867666.db2.gz QXNBOOOPSZQUEH-JTQLQIEISA-N 2 2 254.334 -1.196 20 0 CAADLP CNC(=O)C[NH+](C)C/C=C\C[N@@H+](C)CC(=O)NC ZINC001327616419 884913694 /nfs/dbraw/zinc/91/36/94/884913694.db2.gz LXQYKNVBXPWHNB-WAYWQWQTSA-N 2 2 256.350 -1.102 20 0 CAADLP CNC(=O)C[NH+](C)C/C=C\C[N@H+](C)CC(=O)NC ZINC001327616419 884913713 /nfs/dbraw/zinc/91/37/13/884913713.db2.gz LXQYKNVBXPWHNB-WAYWQWQTSA-N 2 2 256.350 -1.102 20 0 CAADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597714 884907893 /nfs/dbraw/zinc/90/78/93/884907893.db2.gz SPCWAUFUVUUCRF-STQMWFEESA-N 3 2 254.378 -1.046 20 0 CAADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597714 884907908 /nfs/dbraw/zinc/90/79/08/884907908.db2.gz SPCWAUFUVUUCRF-STQMWFEESA-N 3 2 254.378 -1.046 20 0 CAADLP NC(=O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001328927385 885038183 /nfs/dbraw/zinc/03/81/83/885038183.db2.gz IFBJLRKYSQVMPO-UHFFFAOYSA-N 2 2 265.317 -1.078 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC001329060925 885053467 /nfs/dbraw/zinc/05/34/67/885053467.db2.gz MRPVFKJTTIKNCS-SECBINFHSA-N 2 2 265.317 -1.443 20 0 CAADLP CCN1CC[NH+](CCCNC(=O)CNC(=O)C[NH3+])CC1 ZINC001329255393 885080531 /nfs/dbraw/zinc/08/05/31/885080531.db2.gz ZIFLCFJHFVAVCJ-UHFFFAOYSA-N 2 2 285.392 -1.795 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329563686 885117735 /nfs/dbraw/zinc/11/77/35/885117735.db2.gz DBCRLYLIOXKLPR-UWVGGRQHSA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001329563686 885117743 /nfs/dbraw/zinc/11/77/43/885117743.db2.gz DBCRLYLIOXKLPR-UWVGGRQHSA-N 2 2 254.334 -1.196 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC001329561552 885118706 /nfs/dbraw/zinc/11/87/06/885118706.db2.gz LHEPJLSWPNYELI-VIFPVBQESA-N 2 2 258.322 -2.102 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC001329561552 885118712 /nfs/dbraw/zinc/11/87/12/885118712.db2.gz LHEPJLSWPNYELI-VIFPVBQESA-N 2 2 258.322 -2.102 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC001329822217 885143552 /nfs/dbraw/zinc/14/35/52/885143552.db2.gz MRPVFKJTTIKNCS-VIFPVBQESA-N 2 2 265.317 -1.443 20 0 CAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330025345 885167316 /nfs/dbraw/zinc/16/73/16/885167316.db2.gz WYPFIDGEJXCGLW-NSHDSACASA-N 2 2 295.343 -1.588 20 0 CAADLP Cn1nnnc1CC[NH+]1CCC([NH2+]CCO)CC1 ZINC001330362843 885189292 /nfs/dbraw/zinc/18/92/92/885189292.db2.gz FSGUOSQIBYXBIX-UHFFFAOYSA-N 2 2 254.338 -1.201 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331194577 885265268 /nfs/dbraw/zinc/26/52/68/885265268.db2.gz BHTJOGBJYDMXLY-HAQNSBGRSA-N 2 2 298.387 -1.370 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001331843734 885355024 /nfs/dbraw/zinc/35/50/24/885355024.db2.gz XAVZXODGPGRMSK-MRVPVSSYSA-N 2 2 255.278 -2.565 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332522704 885418304 /nfs/dbraw/zinc/41/83/04/885418304.db2.gz PTTOUGWJBXJHDF-HBNTYKKESA-N 2 2 282.344 -1.086 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332522704 885418311 /nfs/dbraw/zinc/41/83/11/885418311.db2.gz PTTOUGWJBXJHDF-HBNTYKKESA-N 2 2 282.344 -1.086 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)CCn1cc[nH+]c1 ZINC001332549702 885419034 /nfs/dbraw/zinc/41/90/34/885419034.db2.gz CTDGXGDNFPCVKH-LLVKDONJSA-N 2 2 270.333 -1.326 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001332753993 885437391 /nfs/dbraw/zinc/43/73/91/885437391.db2.gz AMKIKFNXTSPTQP-KGLIPLIRSA-N 2 2 297.447 -1.016 20 0 CAADLP OCc1cn(CCC[NH2+][C@H]2C[NH2+]CCOC2)nn1 ZINC001332880647 885447008 /nfs/dbraw/zinc/44/70/08/885447008.db2.gz YTPJOQYJIDTZEX-JTQLQIEISA-N 2 2 255.322 -1.262 20 0 CAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001333376630 885475251 /nfs/dbraw/zinc/47/52/51/885475251.db2.gz VVBMICFQUTWKFC-NXEZZACHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001333376633 885475727 /nfs/dbraw/zinc/47/57/27/885475727.db2.gz VVBMICFQUTWKFC-ZJUUUORDSA-N 2 2 265.317 -1.053 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001333409113 885476934 /nfs/dbraw/zinc/47/69/34/885476934.db2.gz GTDJGOIKIOWRPC-GFCCVEGCSA-N 2 2 268.317 -1.570 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001333409115 885477294 /nfs/dbraw/zinc/47/72/94/885477294.db2.gz GTDJGOIKIOWRPC-LBPRGKRZSA-N 2 2 268.317 -1.570 20 0 CAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001333534926 885486767 /nfs/dbraw/zinc/48/67/67/885486767.db2.gz JKPSVRXKVIHTJA-UWVGGRQHSA-N 2 2 277.328 -1.208 20 0 CAADLP C[C@@H](CC[N@H+]1C[C@@H](O)[C@@H](O)C1)[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390337 885542449 /nfs/dbraw/zinc/54/24/49/885542449.db2.gz BBZDLHVFXNJJNZ-HHHUOAJASA-N 2 2 260.334 -2.160 20 0 CAADLP C[C@@H](CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)[NH+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390337 885542460 /nfs/dbraw/zinc/54/24/60/885542460.db2.gz BBZDLHVFXNJJNZ-HHHUOAJASA-N 2 2 260.334 -2.160 20 0 CAADLP C[C@@H](CC[NH+]1C[C@@H](O)[C@@H](O)C1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390337 885542473 /nfs/dbraw/zinc/54/24/73/885542473.db2.gz BBZDLHVFXNJJNZ-HHHUOAJASA-N 2 2 260.334 -2.160 20 0 CAADLP C[C@@H](CC[NH+]1C[C@@H](O)[C@@H](O)C1)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390337 885542479 /nfs/dbraw/zinc/54/24/79/885542479.db2.gz BBZDLHVFXNJJNZ-HHHUOAJASA-N 2 2 260.334 -2.160 20 0 CAADLP CN(CCOCC[NH3+])C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001335215527 885593641 /nfs/dbraw/zinc/59/36/41/885593641.db2.gz FBTXZCTXLJVSJG-UHFFFAOYSA-N 2 2 283.332 -1.567 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC ZINC001335262166 885604125 /nfs/dbraw/zinc/60/41/25/885604125.db2.gz CFVNCCSAINGWIM-IUCAKERBSA-N 2 2 259.306 -1.676 20 0 CAADLP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001335489041 885621054 /nfs/dbraw/zinc/62/10/54/885621054.db2.gz BLETWOWBPDFNSB-OLZOCXBDSA-N 2 2 299.419 -1.090 20 0 CAADLP C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001335489041 885621058 /nfs/dbraw/zinc/62/10/58/885621058.db2.gz BLETWOWBPDFNSB-OLZOCXBDSA-N 2 2 299.419 -1.090 20 0 CAADLP CN(C)S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001335431453 885621604 /nfs/dbraw/zinc/62/16/04/885621604.db2.gz MNJSXPZUZBUBIS-LLVKDONJSA-N 2 2 294.421 -1.573 20 0 CAADLP CN(C)S(=O)(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001335431453 885621609 /nfs/dbraw/zinc/62/16/09/885621609.db2.gz MNJSXPZUZBUBIS-LLVKDONJSA-N 2 2 294.421 -1.573 20 0 CAADLP [NH3+]CC(F)(F)CNC(=O)N1CCNCC[NH2+]CC1 ZINC001335556031 885624730 /nfs/dbraw/zinc/62/47/30/885624730.db2.gz TYJYAXVSPTXUSF-UHFFFAOYSA-N 2 2 265.308 -1.215 20 0 CAADLP COCC[NH2+]CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335550754 885624914 /nfs/dbraw/zinc/62/49/14/885624914.db2.gz CUNRQJXGUFZWGV-UHFFFAOYSA-N 3 2 287.408 -1.055 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCNC(=O)C2)CC1 ZINC001335645514 885627510 /nfs/dbraw/zinc/62/75/10/885627510.db2.gz JEOHUZFSKMATKW-UHFFFAOYSA-N 2 2 269.349 -1.449 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001336657510 885675608 /nfs/dbraw/zinc/67/56/08/885675608.db2.gz AXIXKTQNBNLPDQ-BBBLOLIVSA-N 2 2 255.318 -1.055 20 0 CAADLP [NH3+][C@@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)C(F)F ZINC001336646906 885675766 /nfs/dbraw/zinc/67/57/66/885675766.db2.gz NISDIIKFVIHJOM-ZETCQYMHSA-N 2 2 264.276 -1.483 20 0 CAADLP CN1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H](C[NH3+])C1 ZINC001336941224 885688497 /nfs/dbraw/zinc/68/84/97/885688497.db2.gz IUKGIZYKHFVIDO-CYBMUJFWSA-N 3 2 298.435 -1.306 20 0 CAADLP COCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(N)=O ZINC001338518348 885750540 /nfs/dbraw/zinc/75/05/40/885750540.db2.gz IMMLDYNJJAJJEV-QWRGUYRKSA-N 2 2 259.350 -1.077 20 0 CAADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3nccnn3)CC2)C1 ZINC001339914629 885785551 /nfs/dbraw/zinc/78/55/51/885785551.db2.gz NHWOGQUZTRWOOB-DCAQKATOSA-N 2 2 264.333 -1.156 20 0 CAADLP [NH3+][C@H](CO)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340140423 885793933 /nfs/dbraw/zinc/79/39/33/885793933.db2.gz TXBIWMQYORJQGP-WDEREUQCSA-N 2 2 257.334 -1.371 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001341606090 885849873 /nfs/dbraw/zinc/84/98/73/885849873.db2.gz ZEIVZXUMZYEOCF-SNVBAGLBSA-N 2 2 259.350 -1.077 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001341606090 885849887 /nfs/dbraw/zinc/84/98/87/885849887.db2.gz ZEIVZXUMZYEOCF-SNVBAGLBSA-N 2 2 259.350 -1.077 20 0 CAADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CO)[NH+]1CCOCC1 ZINC001340788790 885815613 /nfs/dbraw/zinc/81/56/13/885815613.db2.gz GZMDHGARDAZTFK-GHMZBOCLSA-N 2 2 259.350 -1.221 20 0 CAADLP Cn1nncc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340941979 885820805 /nfs/dbraw/zinc/82/08/05/885820805.db2.gz HHFYOMFOWZVTDO-UHFFFAOYSA-N 2 2 252.322 -1.032 20 0 CAADLP COC(=O)NCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056910 885822840 /nfs/dbraw/zinc/82/28/40/885822840.db2.gz OUKFTNIFGAGKPU-UHFFFAOYSA-N 2 2 258.322 -1.118 20 0 CAADLP C[NH+](C)CC[C@@H](N)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001342036529 885868419 /nfs/dbraw/zinc/86/84/19/885868419.db2.gz QOYVRZTZIKTIAT-GHMZBOCLSA-N 2 2 258.366 -1.600 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNCC[NH3+])[C@H](C)CO1 ZINC001341353157 885834815 /nfs/dbraw/zinc/83/48/15/885834815.db2.gz YZIYEYWKFUXOCT-GHMZBOCLSA-N 2 2 258.366 -1.240 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNCC[NH3+])[C@H](C)CO1 ZINC001341353157 885834827 /nfs/dbraw/zinc/83/48/27/885834827.db2.gz YZIYEYWKFUXOCT-GHMZBOCLSA-N 2 2 258.366 -1.240 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CNCC[NH3+] ZINC001341353158 885835208 /nfs/dbraw/zinc/83/52/08/885835208.db2.gz YZIYEYWKFUXOCT-MNOVXSKESA-N 2 2 258.366 -1.240 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CNCC[NH3+] ZINC001341353158 885835219 /nfs/dbraw/zinc/83/52/19/885835219.db2.gz YZIYEYWKFUXOCT-MNOVXSKESA-N 2 2 258.366 -1.240 20 0 CAADLP CN(C)c1[nH+]cc(CNC(=O)CNCC[NH3+])n1C ZINC001341701455 885853381 /nfs/dbraw/zinc/85/33/81/885853381.db2.gz SJUUYJOIQQIQHT-UHFFFAOYSA-N 2 2 254.338 -1.349 20 0 CAADLP [NH3+]CCNCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001341673100 885854238 /nfs/dbraw/zinc/85/42/38/885854238.db2.gz WITZTCFIFOTTHT-LBPRGKRZSA-N 2 2 270.377 -1.142 20 0 CAADLP CC1(C)CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1[NH3+] ZINC001341727700 885855181 /nfs/dbraw/zinc/85/51/81/885855181.db2.gz QKMMLCRDJGQTII-SECBINFHSA-N 2 2 254.334 -1.386 20 0 CAADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])CO ZINC001341823922 885857688 /nfs/dbraw/zinc/85/76/88/885857688.db2.gz ILQRNKSCLWDIDV-LLVKDONJSA-N 2 2 258.366 -1.598 20 0 CAADLP [NH3+]CC[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC001341870127 885861572 /nfs/dbraw/zinc/86/15/72/885861572.db2.gz BRHDMBJVAJWLTN-JTQLQIEISA-N 2 2 254.334 -1.385 20 0 CAADLP C[NH+](C)CC[C@@H](N)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001342036529 885868412 /nfs/dbraw/zinc/86/84/12/885868412.db2.gz QOYVRZTZIKTIAT-GHMZBOCLSA-N 2 2 258.366 -1.600 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[NH2+]CC1 ZINC001342084064 885872221 /nfs/dbraw/zinc/87/22/21/885872221.db2.gz AAIYEODXQDDXBG-NSHDSACASA-N 2 2 268.361 -1.076 20 0 CAADLP C[C@@H](C(=O)NCC1(O)C[NH2+]C1)N1CC[NH2+]CC1=O ZINC001342190831 885875320 /nfs/dbraw/zinc/87/53/20/885875320.db2.gz OPGCKGINTLLYNG-QMMMGPOBSA-N 2 2 256.306 -2.743 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH2+]C[C@H]1CO ZINC001342357317 885882187 /nfs/dbraw/zinc/88/21/87/885882187.db2.gz LQEKWIBDYNJPLX-WOPDTQHZSA-N 2 2 268.361 -1.833 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]C[C@H]1CO ZINC001342357269 885883190 /nfs/dbraw/zinc/88/31/90/885883190.db2.gz LQEKWIBDYNJPLX-GRYCIOLGSA-N 2 2 268.361 -1.833 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001342357270 885883239 /nfs/dbraw/zinc/88/32/39/885883239.db2.gz LQEKWIBDYNJPLX-IJLUTSLNSA-N 2 2 268.361 -1.833 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001342717614 885896193 /nfs/dbraw/zinc/89/61/93/885896193.db2.gz MQVKCUQOZQFYBI-OLZOCXBDSA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001342717614 885896208 /nfs/dbraw/zinc/89/62/08/885896208.db2.gz MQVKCUQOZQFYBI-OLZOCXBDSA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001342717605 885896919 /nfs/dbraw/zinc/89/69/19/885896919.db2.gz MQVKCUQOZQFYBI-CHWSQXEVSA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001342717605 885896933 /nfs/dbraw/zinc/89/69/33/885896933.db2.gz MQVKCUQOZQFYBI-CHWSQXEVSA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001342717616 885898509 /nfs/dbraw/zinc/89/85/09/885898509.db2.gz MQVKCUQOZQFYBI-STQMWFEESA-N 2 2 283.420 -1.358 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001342717616 885898521 /nfs/dbraw/zinc/89/85/21/885898521.db2.gz MQVKCUQOZQFYBI-STQMWFEESA-N 2 2 283.420 -1.358 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001346103231 885985646 /nfs/dbraw/zinc/98/56/46/885985646.db2.gz GXDXSZKNTIQYSY-AEJSXWLSSA-N 2 2 254.334 -1.210 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001346103231 885985654 /nfs/dbraw/zinc/98/56/54/885985654.db2.gz GXDXSZKNTIQYSY-AEJSXWLSSA-N 2 2 254.334 -1.210 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428172 886003205 /nfs/dbraw/zinc/00/32/05/886003205.db2.gz VDWWYTYIJJPPSX-MXWKQRLJSA-N 2 2 285.344 -1.870 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428172 886003223 /nfs/dbraw/zinc/00/32/23/886003223.db2.gz VDWWYTYIJJPPSX-MXWKQRLJSA-N 2 2 285.344 -1.870 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428172 886003245 /nfs/dbraw/zinc/00/32/45/886003245.db2.gz VDWWYTYIJJPPSX-MXWKQRLJSA-N 2 2 285.344 -1.870 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428172 886003267 /nfs/dbraw/zinc/00/32/67/886003267.db2.gz VDWWYTYIJJPPSX-MXWKQRLJSA-N 2 2 285.344 -1.870 20 0 CAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(N)=O ZINC001348943480 886108891 /nfs/dbraw/zinc/10/88/91/886108891.db2.gz JIKQTQRQTSKGDL-UHFFFAOYSA-N 2 2 256.350 -1.044 20 0 CAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(N)=O ZINC001348943480 886108898 /nfs/dbraw/zinc/10/88/98/886108898.db2.gz JIKQTQRQTSKGDL-UHFFFAOYSA-N 2 2 256.350 -1.044 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001349760512 886147404 /nfs/dbraw/zinc/14/74/04/886147404.db2.gz LZJCJLOJRCZRSO-JTQLQIEISA-N 2 2 284.360 -1.027 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001349760512 886147409 /nfs/dbraw/zinc/14/74/09/886147409.db2.gz LZJCJLOJRCZRSO-JTQLQIEISA-N 2 2 284.360 -1.027 20 0 CAADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC001350412074 886170402 /nfs/dbraw/zinc/17/04/02/886170402.db2.gz RMECOPFSPMOHHR-MNOVXSKESA-N 2 2 257.334 -1.513 20 0 CAADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC001350412076 886171465 /nfs/dbraw/zinc/17/14/65/886171465.db2.gz RMECOPFSPMOHHR-WDEREUQCSA-N 2 2 257.334 -1.513 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001351550548 886211368 /nfs/dbraw/zinc/21/13/68/886211368.db2.gz GMDNPZIVVNXLEK-VIFPVBQESA-N 2 2 267.333 -1.116 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001351554072 886212638 /nfs/dbraw/zinc/21/26/38/886212638.db2.gz WWNOGONLBDEWNK-UHFFFAOYSA-N 2 2 267.333 -1.114 20 0 CAADLP C[NH2+]CCOCC[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC001351678934 886222096 /nfs/dbraw/zinc/22/20/96/886222096.db2.gz JJRGCCQSTGZTDR-UHFFFAOYSA-N 2 2 270.337 -1.569 20 0 CAADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(CC(N)=O)nn1 ZINC001351678934 886222107 /nfs/dbraw/zinc/22/21/07/886222107.db2.gz JJRGCCQSTGZTDR-UHFFFAOYSA-N 2 2 270.337 -1.569 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001351801896 886229778 /nfs/dbraw/zinc/22/97/78/886229778.db2.gz UDRYUAZRRXGOQD-HLTSFMKQSA-N 2 2 254.290 -1.661 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001351801896 886229797 /nfs/dbraw/zinc/22/97/97/886229797.db2.gz UDRYUAZRRXGOQD-HLTSFMKQSA-N 2 2 254.290 -1.661 20 0 CAADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC001353644774 886282755 /nfs/dbraw/zinc/28/27/55/886282755.db2.gz FFZOQPDUITWLTM-GHMZBOCLSA-N 2 2 259.350 -1.661 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[NH2+]CCN1C ZINC001353591818 886282976 /nfs/dbraw/zinc/28/29/76/886282976.db2.gz VZTDSMWKLFETDD-QWHCGFSZSA-N 2 2 283.420 -1.358 20 0 CAADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC001353644776 886284210 /nfs/dbraw/zinc/28/42/10/886284210.db2.gz FFZOQPDUITWLTM-QWRGUYRKSA-N 2 2 259.350 -1.661 20 0 CAADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC001353644777 886285476 /nfs/dbraw/zinc/28/54/76/886285476.db2.gz FFZOQPDUITWLTM-WDEREUQCSA-N 2 2 259.350 -1.661 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC001354682436 886321041 /nfs/dbraw/zinc/32/10/41/886321041.db2.gz BDARJYCXBUCTKD-MXWKQRLJSA-N 2 2 268.361 -1.222 20 0 CAADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001354770723 886325109 /nfs/dbraw/zinc/32/51/09/886325109.db2.gz CBDLGUBEWVIDHA-MNOVXSKESA-N 3 2 256.350 -1.358 20 0 CAADLP O=C(NCCCCC[NH+]1CCNCC1)C1(O)C[NH2+]C1 ZINC001354968843 886329357 /nfs/dbraw/zinc/32/93/57/886329357.db2.gz GDLIJROAVJWZPO-UHFFFAOYSA-N 2 2 270.377 -1.488 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001355584875 886343974 /nfs/dbraw/zinc/34/39/74/886343974.db2.gz CIFXLDFXYREPJN-AXFHLTTASA-N 2 2 266.345 -1.244 20 0 CAADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNCC[NH3+] ZINC001358030124 886418253 /nfs/dbraw/zinc/41/82/53/886418253.db2.gz VTKCREDYPOGKMG-LLVKDONJSA-N 2 2 258.366 -1.238 20 0 CAADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CNCC[NH3+] ZINC001358030124 886418261 /nfs/dbraw/zinc/41/82/61/886418261.db2.gz VTKCREDYPOGKMG-LLVKDONJSA-N 2 2 258.366 -1.238 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1CC[NH3+] ZINC001358094927 886420399 /nfs/dbraw/zinc/42/03/99/886420399.db2.gz XJJILWKCLSLPTO-GHMZBOCLSA-N 2 2 268.361 -1.139 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240401 886423775 /nfs/dbraw/zinc/42/37/75/886423775.db2.gz UMVQPNJSLNWUQX-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240401 886423781 /nfs/dbraw/zinc/42/37/81/886423781.db2.gz UMVQPNJSLNWUQX-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240398 886424836 /nfs/dbraw/zinc/42/48/36/886424836.db2.gz UMVQPNJSLNWUQX-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240398 886424844 /nfs/dbraw/zinc/42/48/44/886424844.db2.gz UMVQPNJSLNWUQX-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH2+]CC1=O ZINC001358464250 886426595 /nfs/dbraw/zinc/42/65/95/886426595.db2.gz WXSZVQUUIOMANI-ZRUFSTJUSA-N 2 2 266.345 -1.184 20 0 CAADLP C[C@@H](C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC001358476810 886426942 /nfs/dbraw/zinc/42/69/42/886426942.db2.gz VKMJPVGCPXRWAI-GUBZILKMSA-N 2 2 254.334 -1.340 20 0 CAADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC([NH2+]C2COC2)C1 ZINC001364364761 887071222 /nfs/dbraw/zinc/07/12/22/887071222.db2.gz RTQHFRWCLHPDPN-CYBMUJFWSA-N 2 2 281.356 -1.094 20 0 CAADLP CN1CC[N@H+](C)CC(C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001364365937 887072800 /nfs/dbraw/zinc/07/28/00/887072800.db2.gz ZPUBQBJOUKHKPS-UHFFFAOYSA-N 2 2 282.388 -1.321 20 0 CAADLP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH2+]C3COC3)C2)C1 ZINC001364365937 887072808 /nfs/dbraw/zinc/07/28/08/887072808.db2.gz ZPUBQBJOUKHKPS-UHFFFAOYSA-N 2 2 282.388 -1.321 20 0 CAADLP CN(C)C(=O)C[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001365243084 887184928 /nfs/dbraw/zinc/18/49/28/887184928.db2.gz ODFUKVNMZKRBEF-UHFFFAOYSA-N 2 2 294.363 -1.364 20 0 CAADLP CN(C)C(=O)C[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001365243084 887184941 /nfs/dbraw/zinc/18/49/41/887184941.db2.gz ODFUKVNMZKRBEF-UHFFFAOYSA-N 2 2 294.363 -1.364 20 0 CAADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001365321967 887193560 /nfs/dbraw/zinc/19/35/60/887193560.db2.gz GDKKQQIAZNAMBS-NEPJUHHUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001365321967 887193567 /nfs/dbraw/zinc/19/35/67/887193567.db2.gz GDKKQQIAZNAMBS-NEPJUHHUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+](CCO)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365458891 887216614 /nfs/dbraw/zinc/21/66/14/887216614.db2.gz IWEIWCGFZGXXOM-UHFFFAOYSA-N 2 2 280.394 -2.008 20 0 CAADLP C[N@@H+](CCO)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365458891 887216631 /nfs/dbraw/zinc/21/66/31/887216631.db2.gz IWEIWCGFZGXXOM-UHFFFAOYSA-N 2 2 280.394 -2.008 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCN1CC[NH+](CCO)CC1 ZINC001365967463 887257194 /nfs/dbraw/zinc/25/71/94/887257194.db2.gz YAUZEQBYDOXBHW-UHFFFAOYSA-N 2 2 281.360 -1.391 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001366005975 887265159 /nfs/dbraw/zinc/26/51/59/887265159.db2.gz RJJAFUYPEHJCQD-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366005975 887265177 /nfs/dbraw/zinc/26/51/77/887265177.db2.gz RJJAFUYPEHJCQD-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524438 887307695 /nfs/dbraw/zinc/30/76/95/887307695.db2.gz YTGALEAJKWJJDR-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524438 887307705 /nfs/dbraw/zinc/30/77/05/887307705.db2.gz YTGALEAJKWJJDR-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524438 887307718 /nfs/dbraw/zinc/30/77/18/887307718.db2.gz YTGALEAJKWJJDR-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524438 887307729 /nfs/dbraw/zinc/30/77/29/887307729.db2.gz YTGALEAJKWJJDR-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524445 887309826 /nfs/dbraw/zinc/30/98/26/887309826.db2.gz YTGALEAJKWJJDR-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524445 887309844 /nfs/dbraw/zinc/30/98/44/887309844.db2.gz YTGALEAJKWJJDR-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524445 887309855 /nfs/dbraw/zinc/30/98/55/887309855.db2.gz YTGALEAJKWJJDR-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001366524445 887309868 /nfs/dbraw/zinc/30/98/68/887309868.db2.gz YTGALEAJKWJJDR-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)CC(N)=O ZINC001366581178 887315476 /nfs/dbraw/zinc/31/54/76/887315476.db2.gz YKELRYTWSZGJLI-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP C[N@@H+](CCNC(=O)COC1CC[NH+](C)CC1)CC(N)=O ZINC001366581178 887315492 /nfs/dbraw/zinc/31/54/92/887315492.db2.gz YKELRYTWSZGJLI-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366593184 887319813 /nfs/dbraw/zinc/31/98/13/887319813.db2.gz VZLXTQAPIMVLJX-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366593184 887319821 /nfs/dbraw/zinc/31/98/21/887319821.db2.gz VZLXTQAPIMVLJX-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001366593184 887319833 /nfs/dbraw/zinc/31/98/33/887319833.db2.gz VZLXTQAPIMVLJX-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001366593184 887319840 /nfs/dbraw/zinc/31/98/40/887319840.db2.gz VZLXTQAPIMVLJX-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCN1CCNC1=O ZINC001366595862 887322373 /nfs/dbraw/zinc/32/23/73/887322373.db2.gz NBMSLYAGYLEIDM-UHFFFAOYSA-N 2 2 294.359 -1.044 20 0 CAADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCN1CCNC1=O ZINC001366595862 887322385 /nfs/dbraw/zinc/32/23/85/887322385.db2.gz NBMSLYAGYLEIDM-UHFFFAOYSA-N 2 2 294.359 -1.044 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366593187 887323079 /nfs/dbraw/zinc/32/30/79/887323079.db2.gz VZLXTQAPIMVLJX-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@@H]2CCNC2=O)C1 ZINC001366593187 887323093 /nfs/dbraw/zinc/32/30/93/887323093.db2.gz VZLXTQAPIMVLJX-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366593187 887323113 /nfs/dbraw/zinc/32/31/13/887323113.db2.gz VZLXTQAPIMVLJX-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366593187 887323123 /nfs/dbraw/zinc/32/31/23/887323123.db2.gz VZLXTQAPIMVLJX-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366593181 887323963 /nfs/dbraw/zinc/32/39/63/887323963.db2.gz VZLXTQAPIMVLJX-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H]2CCNC2=O)C1 ZINC001366593181 887323981 /nfs/dbraw/zinc/32/39/81/887323981.db2.gz VZLXTQAPIMVLJX-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001366593181 887323995 /nfs/dbraw/zinc/32/39/95/887323995.db2.gz VZLXTQAPIMVLJX-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001366593181 887324011 /nfs/dbraw/zinc/32/40/11/887324011.db2.gz VZLXTQAPIMVLJX-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366952731 887351468 /nfs/dbraw/zinc/35/14/68/887351468.db2.gz VVOYSMVEYPIEIX-CMPLNLGQSA-N 2 2 271.361 -1.254 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366952731 887351483 /nfs/dbraw/zinc/35/14/83/887351483.db2.gz VVOYSMVEYPIEIX-CMPLNLGQSA-N 2 2 271.361 -1.254 20 0 CAADLP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001367017276 887363586 /nfs/dbraw/zinc/36/35/86/887363586.db2.gz CKNVZRSNKQXDJM-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001367017276 887363598 /nfs/dbraw/zinc/36/35/98/887363598.db2.gz CKNVZRSNKQXDJM-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001367601558 887406710 /nfs/dbraw/zinc/40/67/10/887406710.db2.gz GRHKXXGKWUSIOU-NWDGAFQWSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001367601558 887406720 /nfs/dbraw/zinc/40/67/20/887406720.db2.gz GRHKXXGKWUSIOU-NWDGAFQWSA-N 2 2 296.375 -1.524 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001367622122 887411948 /nfs/dbraw/zinc/41/19/48/887411948.db2.gz GPKMHWHRBIKJRI-LLVKDONJSA-N 2 2 294.315 -1.159 20 0 CAADLP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001367631443 887416079 /nfs/dbraw/zinc/41/60/79/887416079.db2.gz XNSVCLJIPLTURZ-GFCCVEGCSA-N 2 2 292.343 -1.117 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711434 887425748 /nfs/dbraw/zinc/42/57/48/887425748.db2.gz FQDCDHIKCYPRGY-ZJUUUORDSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711434 887425756 /nfs/dbraw/zinc/42/57/56/887425756.db2.gz FQDCDHIKCYPRGY-ZJUUUORDSA-N 2 2 296.375 -1.346 20 0 CAADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001367718780 887425942 /nfs/dbraw/zinc/42/59/42/887425942.db2.gz YQIUSEGDFFFIGK-GHMZBOCLSA-N 2 2 270.333 -1.015 20 0 CAADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001368030558 887450564 /nfs/dbraw/zinc/45/05/64/887450564.db2.gz YIHHDCHEXDAYJF-UHFFFAOYSA-N 2 2 279.344 -1.053 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278518 887465250 /nfs/dbraw/zinc/46/52/50/887465250.db2.gz WQUOXPDQTBTZAK-GXFFZTMASA-N 2 2 295.343 -1.690 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278518 887465258 /nfs/dbraw/zinc/46/52/58/887465258.db2.gz WQUOXPDQTBTZAK-GXFFZTMASA-N 2 2 295.343 -1.690 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278526 887467330 /nfs/dbraw/zinc/46/73/30/887467330.db2.gz WQUOXPDQTBTZAK-ZWNOBZJWSA-N 2 2 295.343 -1.690 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278526 887467336 /nfs/dbraw/zinc/46/73/36/887467336.db2.gz WQUOXPDQTBTZAK-ZWNOBZJWSA-N 2 2 295.343 -1.690 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001368445804 887487065 /nfs/dbraw/zinc/48/70/65/887487065.db2.gz ABSWVBRYFSQLOG-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001368445804 887487070 /nfs/dbraw/zinc/48/70/70/887487070.db2.gz ABSWVBRYFSQLOG-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP NC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001368630714 887497227 /nfs/dbraw/zinc/49/72/27/887497227.db2.gz HEXHVFKJRDMDIM-UHFFFAOYSA-N 2 2 295.343 -1.308 20 0 CAADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CC(N)=O ZINC001368986701 887510047 /nfs/dbraw/zinc/51/00/47/887510047.db2.gz IAZJJTJSRNMNGT-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CC(N)=O ZINC001368986701 887510049 /nfs/dbraw/zinc/51/00/49/887510049.db2.gz IAZJJTJSRNMNGT-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369346923 887549353 /nfs/dbraw/zinc/54/93/53/887549353.db2.gz BMANLILKLNJQFD-NXEZZACHSA-N 2 2 272.349 -2.107 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369346923 887549359 /nfs/dbraw/zinc/54/93/59/887549359.db2.gz BMANLILKLNJQFD-NXEZZACHSA-N 2 2 272.349 -2.107 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001369341726 887550060 /nfs/dbraw/zinc/55/00/60/887550060.db2.gz SNCXFSGDBBQBMU-NXEZZACHSA-N 2 2 295.343 -2.003 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001369341738 887550859 /nfs/dbraw/zinc/55/08/59/887550859.db2.gz SNCXFSGDBBQBMU-VHSXEESVSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369346927 887551043 /nfs/dbraw/zinc/55/10/43/887551043.db2.gz BMANLILKLNJQFD-VHSXEESVSA-N 2 2 272.349 -2.107 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369346927 887551050 /nfs/dbraw/zinc/55/10/50/887551050.db2.gz BMANLILKLNJQFD-VHSXEESVSA-N 2 2 272.349 -2.107 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001369350071 887551117 /nfs/dbraw/zinc/55/11/17/887551117.db2.gz RAPUQPIEUUEFOB-MNOVXSKESA-N 2 2 298.391 -1.106 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369368569 887557531 /nfs/dbraw/zinc/55/75/31/887557531.db2.gz DIMYENYRKKDICY-JTQLQIEISA-N 2 2 293.331 -1.689 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369374363 887561687 /nfs/dbraw/zinc/56/16/87/887561687.db2.gz MRUCEDCBAHHVBI-GFCCVEGCSA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001369374363 887561695 /nfs/dbraw/zinc/56/16/95/887561695.db2.gz MRUCEDCBAHHVBI-GFCCVEGCSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369374580 887561814 /nfs/dbraw/zinc/56/18/14/887561814.db2.gz INEWCZUUOXYJBX-NXEZZACHSA-N 2 2 297.359 -1.409 20 0 CAADLP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369374592 887562928 /nfs/dbraw/zinc/56/29/28/887562928.db2.gz INEWCZUUOXYJBX-ZJUUUORDSA-N 2 2 297.359 -1.409 20 0 CAADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001369385040 887566309 /nfs/dbraw/zinc/56/63/09/887566309.db2.gz UXCJRUXKRUJMHT-UWVGGRQHSA-N 2 2 299.379 -1.883 20 0 CAADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001369385034 887566521 /nfs/dbraw/zinc/56/65/21/887566521.db2.gz UXCJRUXKRUJMHT-NXEZZACHSA-N 2 2 299.379 -1.883 20 0 CAADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001369385054 887566799 /nfs/dbraw/zinc/56/67/99/887566799.db2.gz UXCJRUXKRUJMHT-ZJUUUORDSA-N 2 2 299.379 -1.883 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001369470995 887572681 /nfs/dbraw/zinc/57/26/81/887572681.db2.gz JKVMCDSBDWHRTA-IVZWLZJFSA-N 2 2 295.343 -1.593 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369468528 887572992 /nfs/dbraw/zinc/57/29/92/887572992.db2.gz CTMHCFZQKDOYSF-KOLCDFICSA-N 2 2 297.359 -1.504 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCn1cncn1 ZINC001371939866 887678245 /nfs/dbraw/zinc/67/82/45/887678245.db2.gz LJVFMRGPNZYFLN-GFCCVEGCSA-N 2 2 296.375 -1.343 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCn1cncn1 ZINC001371939866 887678258 /nfs/dbraw/zinc/67/82/58/887678258.db2.gz LJVFMRGPNZYFLN-GFCCVEGCSA-N 2 2 296.375 -1.343 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCn1cncn1 ZINC001371939866 887678270 /nfs/dbraw/zinc/67/82/70/887678270.db2.gz LJVFMRGPNZYFLN-GFCCVEGCSA-N 2 2 296.375 -1.343 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCn1cncn1 ZINC001371939866 887678280 /nfs/dbraw/zinc/67/82/80/887678280.db2.gz LJVFMRGPNZYFLN-GFCCVEGCSA-N 2 2 296.375 -1.343 20 0 CAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)nc1=O ZINC001372222629 887688985 /nfs/dbraw/zinc/68/89/85/887688985.db2.gz VULOLINVNIYOSZ-SNVBAGLBSA-N 2 2 296.375 -1.392 20 0 CAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)nc1=O ZINC001372222629 887688994 /nfs/dbraw/zinc/68/89/94/887688994.db2.gz VULOLINVNIYOSZ-SNVBAGLBSA-N 2 2 296.375 -1.392 20 0 CAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001372222629 887689002 /nfs/dbraw/zinc/68/90/02/887689002.db2.gz VULOLINVNIYOSZ-SNVBAGLBSA-N 2 2 296.375 -1.392 20 0 CAADLP Cn1[nH]c(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001372222629 887689013 /nfs/dbraw/zinc/68/90/13/887689013.db2.gz VULOLINVNIYOSZ-SNVBAGLBSA-N 2 2 296.375 -1.392 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373283747 887729214 /nfs/dbraw/zinc/72/92/14/887729214.db2.gz YADNLWTXTGCFFU-NWDGAFQWSA-N 2 2 298.387 -1.417 20 0 CAADLP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373283747 887729226 /nfs/dbraw/zinc/72/92/26/887729226.db2.gz YADNLWTXTGCFFU-NWDGAFQWSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373283747 887729238 /nfs/dbraw/zinc/72/92/38/887729238.db2.gz YADNLWTXTGCFFU-NWDGAFQWSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373283747 887729256 /nfs/dbraw/zinc/72/92/56/887729256.db2.gz YADNLWTXTGCFFU-NWDGAFQWSA-N 2 2 298.387 -1.417 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373283744 887730258 /nfs/dbraw/zinc/73/02/58/887730258.db2.gz YADNLWTXTGCFFU-NEPJUHHUSA-N 2 2 298.387 -1.417 20 0 CAADLP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373283744 887730267 /nfs/dbraw/zinc/73/02/67/887730267.db2.gz YADNLWTXTGCFFU-NEPJUHHUSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373283744 887730282 /nfs/dbraw/zinc/73/02/82/887730282.db2.gz YADNLWTXTGCFFU-NEPJUHHUSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373283744 887730293 /nfs/dbraw/zinc/73/02/93/887730293.db2.gz YADNLWTXTGCFFU-NEPJUHHUSA-N 2 2 298.387 -1.417 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373638052 887760598 /nfs/dbraw/zinc/76/05/98/887760598.db2.gz DBVMOYZARXYGKR-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373638052 887760616 /nfs/dbraw/zinc/76/06/16/887760616.db2.gz DBVMOYZARXYGKR-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001374480218 887784822 /nfs/dbraw/zinc/78/48/22/887784822.db2.gz QRPBKNPIFZYYPE-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001374480218 887784834 /nfs/dbraw/zinc/78/48/34/887784834.db2.gz QRPBKNPIFZYYPE-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374480218 887784846 /nfs/dbraw/zinc/78/48/46/887784846.db2.gz QRPBKNPIFZYYPE-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374480218 887784862 /nfs/dbraw/zinc/78/48/62/887784862.db2.gz QRPBKNPIFZYYPE-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001374658144 887827257 /nfs/dbraw/zinc/82/72/57/887827257.db2.gz KVJXONRVTVCMGP-RKDXNWHRSA-N 2 2 283.332 -1.717 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374662896 887827367 /nfs/dbraw/zinc/82/73/67/887827367.db2.gz XRGBVHJCBHNKQU-UWVGGRQHSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374662897 887828547 /nfs/dbraw/zinc/82/85/47/887828547.db2.gz XRGBVHJCBHNKQU-VHSXEESVSA-N 2 2 295.343 -1.703 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001374658142 887829492 /nfs/dbraw/zinc/82/94/92/887829492.db2.gz KVJXONRVTVCMGP-DTWKUNHWSA-N 2 2 283.332 -1.717 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001374678583 887831247 /nfs/dbraw/zinc/83/12/47/887831247.db2.gz VGTXXHGLNUUDPD-VHSXEESVSA-N 2 2 283.332 -1.786 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001374678586 887831554 /nfs/dbraw/zinc/83/15/54/887831554.db2.gz VGTXXHGLNUUDPD-ZJUUUORDSA-N 2 2 283.332 -1.786 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001374676744 887831726 /nfs/dbraw/zinc/83/17/26/887831726.db2.gz ISCRCLDLJCELGY-VHSXEESVSA-N 2 2 297.359 -1.538 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001374679262 887832531 /nfs/dbraw/zinc/83/25/31/887832531.db2.gz ZFXNKCFVNLMTHU-JTQLQIEISA-N 2 2 283.332 -1.914 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001374676745 887833181 /nfs/dbraw/zinc/83/31/81/887833181.db2.gz ISCRCLDLJCELGY-ZJUUUORDSA-N 2 2 297.359 -1.538 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001374678577 887833591 /nfs/dbraw/zinc/83/35/91/887833591.db2.gz VGTXXHGLNUUDPD-NXEZZACHSA-N 2 2 283.332 -1.786 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001374678580 887834160 /nfs/dbraw/zinc/83/41/60/887834160.db2.gz VGTXXHGLNUUDPD-UWVGGRQHSA-N 2 2 283.332 -1.786 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081686 887904322 /nfs/dbraw/zinc/90/43/22/887904322.db2.gz LWUUWUXPOMOPLC-GXFFZTMASA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081686 887904336 /nfs/dbraw/zinc/90/43/36/887904336.db2.gz LWUUWUXPOMOPLC-GXFFZTMASA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001376232175 887915128 /nfs/dbraw/zinc/91/51/28/887915128.db2.gz MJIIKENVCCXZCU-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376237001 887915560 /nfs/dbraw/zinc/91/55/60/887915560.db2.gz QYOZFJHNIQMVDV-NWDGAFQWSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001376237001 887915571 /nfs/dbraw/zinc/91/55/71/887915571.db2.gz QYOZFJHNIQMVDV-NWDGAFQWSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001376232177 887916618 /nfs/dbraw/zinc/91/66/18/887916618.db2.gz MJIIKENVCCXZCU-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376488657 887935602 /nfs/dbraw/zinc/93/56/02/887935602.db2.gz LLFGUZYDXAMDGK-AOOOYVTPSA-N 2 2 279.344 -1.055 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001376849496 887964390 /nfs/dbraw/zinc/96/43/90/887964390.db2.gz LKNZZAFIRMPZEB-JTQLQIEISA-N 2 2 295.343 -1.437 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001376887681 887967860 /nfs/dbraw/zinc/96/78/60/887967860.db2.gz QXYLNADHJHUJMG-RKDXNWHRSA-N 2 2 296.331 -1.439 20 0 CAADLP CC[N@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(N)=O ZINC001377350322 887993514 /nfs/dbraw/zinc/99/35/14/887993514.db2.gz PHXXLUBVSGHJSY-UHFFFAOYSA-N 2 2 286.376 -1.368 20 0 CAADLP CC[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(N)=O ZINC001377350322 887993521 /nfs/dbraw/zinc/99/35/21/887993521.db2.gz PHXXLUBVSGHJSY-UHFFFAOYSA-N 2 2 286.376 -1.368 20 0 CAADLP NC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001378022541 888032165 /nfs/dbraw/zinc/03/21/65/888032165.db2.gz FLUJPBPKFSJFQH-UHFFFAOYSA-N 2 2 297.359 -1.675 20 0 CAADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001378123271 888039982 /nfs/dbraw/zinc/03/99/82/888039982.db2.gz PMKMWWANXSRFJZ-JTQLQIEISA-N 2 2 298.391 -1.003 20 0 CAADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001378123271 888039984 /nfs/dbraw/zinc/03/99/84/888039984.db2.gz PMKMWWANXSRFJZ-JTQLQIEISA-N 2 2 298.391 -1.003 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242069 888045795 /nfs/dbraw/zinc/04/57/95/888045795.db2.gz XOFVYLBTODOXFI-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242069 888045801 /nfs/dbraw/zinc/04/58/01/888045801.db2.gz XOFVYLBTODOXFI-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)C1 ZINC001378242069 888045807 /nfs/dbraw/zinc/04/58/07/888045807.db2.gz XOFVYLBTODOXFI-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)C1 ZINC001378242069 888045816 /nfs/dbraw/zinc/04/58/16/888045816.db2.gz XOFVYLBTODOXFI-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001378344756 888052063 /nfs/dbraw/zinc/05/20/63/888052063.db2.gz ZADYZPLRLWTAFU-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001379128189 888085644 /nfs/dbraw/zinc/08/56/44/888085644.db2.gz ALIZRUBHMSBRID-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001379128189 888085654 /nfs/dbraw/zinc/08/56/54/888085654.db2.gz ALIZRUBHMSBRID-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001379128189 888085667 /nfs/dbraw/zinc/08/56/67/888085667.db2.gz ALIZRUBHMSBRID-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001379128189 888085679 /nfs/dbraw/zinc/08/56/79/888085679.db2.gz ALIZRUBHMSBRID-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001379183206 888097424 /nfs/dbraw/zinc/09/74/24/888097424.db2.gz GRHKXXGKWUSIOU-NEPJUHHUSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001379183206 888097437 /nfs/dbraw/zinc/09/74/37/888097437.db2.gz GRHKXXGKWUSIOU-NEPJUHHUSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379192001 888097799 /nfs/dbraw/zinc/09/77/99/888097799.db2.gz UWWOWIRYSAHRHP-ZJUUUORDSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001379192001 888097811 /nfs/dbraw/zinc/09/78/11/888097811.db2.gz UWWOWIRYSAHRHP-ZJUUUORDSA-N 2 2 297.363 -2.129 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001379262088 888114536 /nfs/dbraw/zinc/11/45/36/888114536.db2.gz WBOOQLOYKWHGCB-WPRPVWTQSA-N 2 2 283.332 -2.097 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379262515 888115749 /nfs/dbraw/zinc/11/57/49/888115749.db2.gz YREUKPHVDAFYHH-WDEREUQCSA-N 2 2 295.343 -2.082 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379291700 888120991 /nfs/dbraw/zinc/12/09/91/888120991.db2.gz MDVYWQNQNICVCL-NXEZZACHSA-N 2 2 281.316 -2.162 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379291709 888122227 /nfs/dbraw/zinc/12/22/27/888122227.db2.gz MDVYWQNQNICVCL-ZJUUUORDSA-N 2 2 281.316 -2.162 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001379465072 888145102 /nfs/dbraw/zinc/14/51/02/888145102.db2.gz NBLOGUYYOZZFIA-GHMZBOCLSA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001379465072 888145112 /nfs/dbraw/zinc/14/51/12/888145112.db2.gz NBLOGUYYOZZFIA-GHMZBOCLSA-N 2 2 296.375 -1.226 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379527047 888159253 /nfs/dbraw/zinc/15/92/53/888159253.db2.gz TVRFKPQMUCBXCW-SNVBAGLBSA-N 2 2 299.379 -1.883 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001379527047 888159259 /nfs/dbraw/zinc/15/92/59/888159259.db2.gz TVRFKPQMUCBXCW-SNVBAGLBSA-N 2 2 299.379 -1.883 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001379529911 888160802 /nfs/dbraw/zinc/16/08/02/888160802.db2.gz SBAZOYICJMWSTI-NSHDSACASA-N 2 2 296.375 -1.522 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001379523207 888160908 /nfs/dbraw/zinc/16/09/08/888160908.db2.gz BPTAPANGXKZHIN-NSHDSACASA-N 2 2 297.359 -1.654 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379527045 888160965 /nfs/dbraw/zinc/16/09/65/888160965.db2.gz TVRFKPQMUCBXCW-JTQLQIEISA-N 2 2 299.379 -1.883 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001379527045 888160967 /nfs/dbraw/zinc/16/09/67/888160967.db2.gz TVRFKPQMUCBXCW-JTQLQIEISA-N 2 2 299.379 -1.883 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379559577 888165006 /nfs/dbraw/zinc/16/50/06/888165006.db2.gz DMOPRBNKQKLXBM-QMMMGPOBSA-N 2 2 296.331 -1.498 20 0 CAADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001379964680 888181933 /nfs/dbraw/zinc/18/19/33/888181933.db2.gz IKSZOAFJDMOOGN-SNVBAGLBSA-N 2 2 270.333 -1.304 20 0 CAADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001379964680 888181936 /nfs/dbraw/zinc/18/19/36/888181936.db2.gz IKSZOAFJDMOOGN-SNVBAGLBSA-N 2 2 270.333 -1.304 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001380570370 888210997 /nfs/dbraw/zinc/21/09/97/888210997.db2.gz ZURKUARLBOOGGZ-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001380570370 888211007 /nfs/dbraw/zinc/21/10/07/888211007.db2.gz ZURKUARLBOOGGZ-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380642527 888222282 /nfs/dbraw/zinc/22/22/82/888222282.db2.gz OBUOEUQMKKRSLT-WDEREUQCSA-N 2 2 271.361 -1.518 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380642527 888222267 /nfs/dbraw/zinc/22/22/67/888222267.db2.gz OBUOEUQMKKRSLT-WDEREUQCSA-N 2 2 271.361 -1.518 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380642522 888224325 /nfs/dbraw/zinc/22/43/25/888224325.db2.gz OBUOEUQMKKRSLT-MNOVXSKESA-N 2 2 271.361 -1.518 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380642522 888224337 /nfs/dbraw/zinc/22/43/37/888224337.db2.gz OBUOEUQMKKRSLT-MNOVXSKESA-N 2 2 271.361 -1.518 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001381689909 888264889 /nfs/dbraw/zinc/26/48/89/888264889.db2.gz HXHODVROWCINOX-LLVKDONJSA-N 2 2 271.361 -1.517 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)C1 ZINC001381689909 888264904 /nfs/dbraw/zinc/26/49/04/888264904.db2.gz HXHODVROWCINOX-LLVKDONJSA-N 2 2 271.361 -1.517 20 0 CAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)c[nH+]1 ZINC001382205044 888299282 /nfs/dbraw/zinc/29/92/82/888299282.db2.gz BZFIUCNCGSFXCK-JTQLQIEISA-N 2 2 297.359 -1.521 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001382212286 888306238 /nfs/dbraw/zinc/30/62/38/888306238.db2.gz OIWSMUHZODXOKJ-VHSXEESVSA-N 2 2 295.343 -2.003 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001382226834 888308846 /nfs/dbraw/zinc/30/88/46/888308846.db2.gz XKRZCDUNDMBSGH-NSHDSACASA-N 2 2 297.359 -1.654 20 0 CAADLP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001382231914 888309200 /nfs/dbraw/zinc/30/92/00/888309200.db2.gz CFVOUQQHIJAQOA-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001382268063 888318018 /nfs/dbraw/zinc/31/80/18/888318018.db2.gz SJQLKVIRIIWPII-MWLCHTKSSA-N 2 2 295.343 -2.082 20 0 CAADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382266901 888320064 /nfs/dbraw/zinc/32/00/64/888320064.db2.gz NDUNUMVGAMPSPI-BDAKNGLRSA-N 2 2 283.332 -2.097 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382271728 888322681 /nfs/dbraw/zinc/32/26/81/888322681.db2.gz FCDARHDYYCVYKV-VHSXEESVSA-N 2 2 297.359 -1.538 20 0 CAADLP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382293664 888331234 /nfs/dbraw/zinc/33/12/34/888331234.db2.gz VPZBZCQPMCGSAY-MNOVXSKESA-N 2 2 270.333 -1.015 20 0 CAADLP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382293669 888332570 /nfs/dbraw/zinc/33/25/70/888332570.db2.gz VPZBZCQPMCGSAY-QWRGUYRKSA-N 2 2 270.333 -1.015 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382419517 888351766 /nfs/dbraw/zinc/35/17/66/888351766.db2.gz CZNDFPGRAGXEDE-LLVKDONJSA-N 2 2 297.359 -1.551 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382430369 888354896 /nfs/dbraw/zinc/35/48/96/888354896.db2.gz ZNXVXOCKDSKKKG-SECBINFHSA-N 2 2 283.332 -1.893 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001382430363 888355412 /nfs/dbraw/zinc/35/54/12/888355412.db2.gz ZMDNELOEEDLMMK-IUCAKERBSA-N 2 2 283.332 -1.765 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001382430364 888355554 /nfs/dbraw/zinc/35/55/54/888355554.db2.gz ZMDNELOEEDLMMK-RKDXNWHRSA-N 2 2 283.332 -1.765 20 0 CAADLP COCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001382547087 888369518 /nfs/dbraw/zinc/36/95/18/888369518.db2.gz KIGGOEFVCQRLCK-UHFFFAOYSA-N 2 2 298.387 -1.368 20 0 CAADLP COCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001382547087 888369536 /nfs/dbraw/zinc/36/95/36/888369536.db2.gz KIGGOEFVCQRLCK-UHFFFAOYSA-N 2 2 298.387 -1.368 20 0 CAADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389485648 888550414 /nfs/dbraw/zinc/55/04/14/888550414.db2.gz JHZISHGQHVIMMU-ZJUUUORDSA-N 2 2 299.375 -1.288 20 0 CAADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001389485648 888550426 /nfs/dbraw/zinc/55/04/26/888550426.db2.gz JHZISHGQHVIMMU-ZJUUUORDSA-N 2 2 299.375 -1.288 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001389478545 888550950 /nfs/dbraw/zinc/55/09/50/888550950.db2.gz JHSYYUUBMANIMR-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001389478545 888550961 /nfs/dbraw/zinc/55/09/61/888550961.db2.gz JHSYYUUBMANIMR-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001390549620 888588002 /nfs/dbraw/zinc/58/80/02/888588002.db2.gz SHPJZYNCJIZXPF-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001390549620 888588008 /nfs/dbraw/zinc/58/80/08/888588008.db2.gz SHPJZYNCJIZXPF-QWRGUYRKSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(N)=O ZINC001390829410 888608136 /nfs/dbraw/zinc/60/81/36/888608136.db2.gz BMUBGXXAUHVIEW-UHFFFAOYSA-N 2 2 272.349 -1.758 20 0 CAADLP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)CC(N)=O ZINC001390829410 888608151 /nfs/dbraw/zinc/60/81/51/888608151.db2.gz BMUBGXXAUHVIEW-UHFFFAOYSA-N 2 2 272.349 -1.758 20 0 CAADLP CCC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(N)=O ZINC001391121295 888615639 /nfs/dbraw/zinc/61/56/39/888615639.db2.gz WTOLTFBBOITOMU-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CCC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CC(N)=O ZINC001391121295 888615645 /nfs/dbraw/zinc/61/56/45/888615645.db2.gz WTOLTFBBOITOMU-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001391121295 888615652 /nfs/dbraw/zinc/61/56/52/888615652.db2.gz WTOLTFBBOITOMU-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CCC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001391121295 888615661 /nfs/dbraw/zinc/61/56/61/888615661.db2.gz WTOLTFBBOITOMU-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392156266 888666594 /nfs/dbraw/zinc/66/65/94/888666594.db2.gz HHXAXTJXJDMXAT-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001392360584 888680969 /nfs/dbraw/zinc/68/09/69/888680969.db2.gz FHDIFPMSYXDXMQ-MNOVXSKESA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001392360584 888680975 /nfs/dbraw/zinc/68/09/75/888680975.db2.gz FHDIFPMSYXDXMQ-MNOVXSKESA-N 2 2 296.375 -1.226 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001392412280 888701376 /nfs/dbraw/zinc/70/13/76/888701376.db2.gz VGESSBOHRLMWRE-NXEZZACHSA-N 2 2 297.359 -1.504 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001392412281 888701564 /nfs/dbraw/zinc/70/15/64/888701564.db2.gz VGESSBOHRLMWRE-UWVGGRQHSA-N 2 2 297.359 -1.504 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392409914 888702274 /nfs/dbraw/zinc/70/22/74/888702274.db2.gz NMTBTWKMDSJPGZ-DTWKUNHWSA-N 2 2 283.332 -1.847 20 0 CAADLP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001392434177 888706977 /nfs/dbraw/zinc/70/69/77/888706977.db2.gz WEZHDXYJSMEOBG-LBPRGKRZSA-N 2 2 292.343 -1.117 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001392421960 888707002 /nfs/dbraw/zinc/70/70/02/888707002.db2.gz MRXZYSGWNXOPCY-ZYHUDNBSSA-N 2 2 284.360 -1.200 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001392421954 888707404 /nfs/dbraw/zinc/70/74/04/888707404.db2.gz MRXZYSGWNXOPCY-JQWIXIFHSA-N 2 2 284.360 -1.200 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001392759554 888737870 /nfs/dbraw/zinc/73/78/70/888737870.db2.gz HMUJLYVURLDXFY-NEPJUHHUSA-N 2 2 298.387 -1.453 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001392759554 888737879 /nfs/dbraw/zinc/73/78/79/888737879.db2.gz HMUJLYVURLDXFY-NEPJUHHUSA-N 2 2 298.387 -1.453 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001393352374 888781431 /nfs/dbraw/zinc/78/14/31/888781431.db2.gz BZKVQUUXSKWSKS-NSHDSACASA-N 2 2 271.361 -1.517 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)C1 ZINC001393352374 888781445 /nfs/dbraw/zinc/78/14/45/888781445.db2.gz BZKVQUUXSKWSKS-NSHDSACASA-N 2 2 271.361 -1.517 20 0 CAADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001394048088 888814978 /nfs/dbraw/zinc/81/49/78/888814978.db2.gz OXQNULXEYODITP-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001394048088 888814976 /nfs/dbraw/zinc/81/49/76/888814976.db2.gz OXQNULXEYODITP-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CCC[N@H+](C)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394165719 888822445 /nfs/dbraw/zinc/82/24/45/888822445.db2.gz FOQOVKRHOXDWAI-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP CCC[N@@H+](C)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001394165719 888822455 /nfs/dbraw/zinc/82/24/55/888822455.db2.gz FOQOVKRHOXDWAI-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001394587898 888854323 /nfs/dbraw/zinc/85/43/23/888854323.db2.gz BSTMWMUDKRRQNA-ONGXEEELSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001394587898 888854335 /nfs/dbraw/zinc/85/43/35/888854335.db2.gz BSTMWMUDKRRQNA-ONGXEEELSA-N 2 2 270.333 -1.210 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001394613313 888861016 /nfs/dbraw/zinc/86/10/16/888861016.db2.gz AEAJTKOWVIKUBV-LLVKDONJSA-N 2 2 284.364 -1.667 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001394615060 888861349 /nfs/dbraw/zinc/86/13/49/888861349.db2.gz MLZIJBWJCCHFDR-GHMZBOCLSA-N 2 2 297.359 -1.526 20 0 CAADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]CCO)n1cc[nH+]c1 ZINC001394626577 888864039 /nfs/dbraw/zinc/86/40/39/888864039.db2.gz AQZQVYNNFTVEEB-GHMZBOCLSA-N 2 2 270.333 -1.107 20 0 CAADLP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001394640634 888869355 /nfs/dbraw/zinc/86/93/55/888869355.db2.gz DVJDCYJZZSOOAS-LLVKDONJSA-N 2 2 286.376 -1.730 20 0 CAADLP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1 ZINC001394640647 888871477 /nfs/dbraw/zinc/87/14/77/888871477.db2.gz DVJDCYJZZSOOAS-NSHDSACASA-N 2 2 286.376 -1.730 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001394659345 888876909 /nfs/dbraw/zinc/87/69/09/888876909.db2.gz QOMLNGQHBGIRQD-VHSXEESVSA-N 2 2 281.316 -2.162 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001394659344 888878004 /nfs/dbraw/zinc/87/80/04/888878004.db2.gz QOMLNGQHBGIRQD-UWVGGRQHSA-N 2 2 281.316 -2.162 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394766981 888897341 /nfs/dbraw/zinc/89/73/41/888897341.db2.gz WYPBMDSLPGZEBX-MNOVXSKESA-N 2 2 270.333 -1.327 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394766977 888897375 /nfs/dbraw/zinc/89/73/75/888897375.db2.gz WYPBMDSLPGZEBX-GHMZBOCLSA-N 2 2 270.333 -1.327 20 0 CAADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001399096503 889030328 /nfs/dbraw/zinc/03/03/28/889030328.db2.gz CACLRWWKMNUHBU-SNVBAGLBSA-N 2 2 296.375 -1.202 20 0 CAADLP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399092269 889030550 /nfs/dbraw/zinc/03/05/50/889030550.db2.gz CQJRKQVBWIHCRR-QMMMGPOBSA-N 2 2 296.331 -1.498 20 0 CAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001399092242 889033465 /nfs/dbraw/zinc/03/34/65/889033465.db2.gz CQJRKQVBWIHCRR-MRVPVSSYSA-N 2 2 296.331 -1.498 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001399864639 889074247 /nfs/dbraw/zinc/07/42/47/889074247.db2.gz HBHKXJPJSBSWHS-GFCCVEGCSA-N 2 2 298.387 -1.225 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001399864639 889074264 /nfs/dbraw/zinc/07/42/64/889074264.db2.gz HBHKXJPJSBSWHS-GFCCVEGCSA-N 2 2 298.387 -1.225 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001401550637 889152944 /nfs/dbraw/zinc/15/29/44/889152944.db2.gz YRORYWCBGBRUEN-GXSJLCMTSA-N 2 2 295.343 -2.003 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001401573680 889160119 /nfs/dbraw/zinc/16/01/19/889160119.db2.gz DLFZNTFMXSDVHL-MNOVXSKESA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001401573680 889160133 /nfs/dbraw/zinc/16/01/33/889160133.db2.gz DLFZNTFMXSDVHL-MNOVXSKESA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001401573682 889160289 /nfs/dbraw/zinc/16/02/89/889160289.db2.gz DLFZNTFMXSDVHL-WDEREUQCSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001401573682 889160300 /nfs/dbraw/zinc/16/03/00/889160300.db2.gz DLFZNTFMXSDVHL-WDEREUQCSA-N 2 2 297.359 -1.104 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001401568342 889161013 /nfs/dbraw/zinc/16/10/13/889161013.db2.gz HFAVSVKZOYWOBW-ZJUUUORDSA-N 2 2 283.332 -1.916 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001401573681 889161797 /nfs/dbraw/zinc/16/17/97/889161797.db2.gz DLFZNTFMXSDVHL-QWRGUYRKSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001401573681 889161803 /nfs/dbraw/zinc/16/18/03/889161803.db2.gz DLFZNTFMXSDVHL-QWRGUYRKSA-N 2 2 297.359 -1.104 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401574316 889161848 /nfs/dbraw/zinc/16/18/48/889161848.db2.gz YNRZSJMPKDAVFE-JTQLQIEISA-N 2 2 297.359 -1.537 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001401568274 889161951 /nfs/dbraw/zinc/16/19/51/889161951.db2.gz ZOMLVSPTMSPZJU-KOLCDFICSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001401568274 889161961 /nfs/dbraw/zinc/16/19/61/889161961.db2.gz ZOMLVSPTMSPZJU-KOLCDFICSA-N 2 2 270.333 -1.210 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001401568341 889161997 /nfs/dbraw/zinc/16/19/97/889161997.db2.gz HFAVSVKZOYWOBW-VHSXEESVSA-N 2 2 283.332 -1.916 20 0 CAADLP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001401572816 889162093 /nfs/dbraw/zinc/16/20/93/889162093.db2.gz KDLRBEPVDUHYNL-SNVBAGLBSA-N 2 2 293.331 -1.652 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401664999 889175861 /nfs/dbraw/zinc/17/58/61/889175861.db2.gz DMYSSOKFLXROOU-SECBINFHSA-N 2 2 296.331 -1.567 20 0 CAADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001401725045 889178895 /nfs/dbraw/zinc/17/88/95/889178895.db2.gz BIHLWJOXCGGIQP-DTWKUNHWSA-N 2 2 296.331 -1.439 20 0 CAADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001401725129 889179756 /nfs/dbraw/zinc/17/97/56/889179756.db2.gz BIHLWJOXCGGIQP-IUCAKERBSA-N 2 2 296.331 -1.439 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827843 889185575 /nfs/dbraw/zinc/18/55/75/889185575.db2.gz BHUSWLINRGHADJ-MNOVXSKESA-N 2 2 284.360 -1.713 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827843 889185581 /nfs/dbraw/zinc/18/55/81/889185581.db2.gz BHUSWLINRGHADJ-MNOVXSKESA-N 2 2 284.360 -1.713 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCCN1CC[NH+](CCO)CC1 ZINC001402117267 889199893 /nfs/dbraw/zinc/19/98/93/889199893.db2.gz LTYKFOQDMZGZEW-UHFFFAOYSA-N 2 2 295.387 -1.001 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402267593 889209884 /nfs/dbraw/zinc/20/98/84/889209884.db2.gz RXUUTMWRCVNMJA-SMDDNHRTSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402267593 889209896 /nfs/dbraw/zinc/20/98/96/889209896.db2.gz RXUUTMWRCVNMJA-SMDDNHRTSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402267593 889209909 /nfs/dbraw/zinc/20/99/09/889209909.db2.gz RXUUTMWRCVNMJA-SMDDNHRTSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402267593 889209927 /nfs/dbraw/zinc/20/99/27/889209927.db2.gz RXUUTMWRCVNMJA-SMDDNHRTSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402267574 889213289 /nfs/dbraw/zinc/21/32/89/889213289.db2.gz RXUUTMWRCVNMJA-BXUZGUMPSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402267574 889213304 /nfs/dbraw/zinc/21/33/04/889213304.db2.gz RXUUTMWRCVNMJA-BXUZGUMPSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402267574 889213316 /nfs/dbraw/zinc/21/33/16/889213316.db2.gz RXUUTMWRCVNMJA-BXUZGUMPSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402267574 889213332 /nfs/dbraw/zinc/21/33/32/889213332.db2.gz RXUUTMWRCVNMJA-BXUZGUMPSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402267589 889213859 /nfs/dbraw/zinc/21/38/59/889213859.db2.gz RXUUTMWRCVNMJA-RISCZKNCSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402267589 889213872 /nfs/dbraw/zinc/21/38/72/889213872.db2.gz RXUUTMWRCVNMJA-RISCZKNCSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402267589 889213881 /nfs/dbraw/zinc/21/38/81/889213881.db2.gz RXUUTMWRCVNMJA-RISCZKNCSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402267589 889213893 /nfs/dbraw/zinc/21/38/93/889213893.db2.gz RXUUTMWRCVNMJA-RISCZKNCSA-N 2 2 298.387 -1.620 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001402294870 889220152 /nfs/dbraw/zinc/22/01/52/889220152.db2.gz NMSNBTPBGQSMGY-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001402294870 889220165 /nfs/dbraw/zinc/22/01/65/889220165.db2.gz NMSNBTPBGQSMGY-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP C[C@@H]([NH2+]CCN(CCO)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001402464659 889241060 /nfs/dbraw/zinc/24/10/60/889241060.db2.gz ALEWRSHZXMNQSQ-SNVBAGLBSA-N 2 2 297.359 -1.753 20 0 CAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001402465344 889242770 /nfs/dbraw/zinc/24/27/70/889242770.db2.gz CDVSZTWAWPKFPE-VIFPVBQESA-N 2 2 283.332 -1.764 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873977 889265302 /nfs/dbraw/zinc/26/53/02/889265302.db2.gz VXNXMCGMBQSHBF-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873977 889265320 /nfs/dbraw/zinc/26/53/20/889265320.db2.gz VXNXMCGMBQSHBF-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869380 889266646 /nfs/dbraw/zinc/26/66/46/889266646.db2.gz OXYKEABBROPIDD-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869380 889266660 /nfs/dbraw/zinc/26/66/60/889266660.db2.gz OXYKEABBROPIDD-CMPLNLGQSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001403429293 889301927 /nfs/dbraw/zinc/30/19/27/889301927.db2.gz WNBIRTAGNTVUHH-QWRGUYRKSA-N 2 2 295.343 -1.426 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001403429279 889304232 /nfs/dbraw/zinc/30/42/32/889304232.db2.gz WNBIRTAGNTVUHH-GHMZBOCLSA-N 2 2 295.343 -1.426 20 0 CAADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403600260 889316208 /nfs/dbraw/zinc/31/62/08/889316208.db2.gz ZCVRFWDNBBZFAK-JTQLQIEISA-N 2 2 298.391 -1.003 20 0 CAADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001403600263 889319805 /nfs/dbraw/zinc/31/98/05/889319805.db2.gz ZCVRFWDNBBZFAK-SNVBAGLBSA-N 2 2 298.391 -1.003 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001403639722 889325493 /nfs/dbraw/zinc/32/54/93/889325493.db2.gz BJRVNOXBJWVOQO-RYUDHWBXSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001403639722 889325503 /nfs/dbraw/zinc/32/55/03/889325503.db2.gz BJRVNOXBJWVOQO-RYUDHWBXSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001403639685 889325830 /nfs/dbraw/zinc/32/58/30/889325830.db2.gz BJRVNOXBJWVOQO-NEPJUHHUSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001403639685 889325843 /nfs/dbraw/zinc/32/58/43/889325843.db2.gz BJRVNOXBJWVOQO-NEPJUHHUSA-N 2 2 296.375 -1.524 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668899 889338505 /nfs/dbraw/zinc/33/85/05/889338505.db2.gz VLPDRQKIWGLCEQ-DTWKUNHWSA-N 2 2 274.321 -3.131 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668899 889338517 /nfs/dbraw/zinc/33/85/17/889338517.db2.gz VLPDRQKIWGLCEQ-DTWKUNHWSA-N 2 2 274.321 -3.131 20 0 CAADLP O=C(C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)NC1CC1 ZINC001403738353 889361414 /nfs/dbraw/zinc/36/14/14/889361414.db2.gz GRZVMBRRQPLUJY-LBPRGKRZSA-N 2 2 298.387 -1.573 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001403747365 889363955 /nfs/dbraw/zinc/36/39/55/889363955.db2.gz JKJGLKZVCQNZAW-LLVKDONJSA-N 2 2 298.391 -1.278 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nncn1C ZINC001403747365 889363968 /nfs/dbraw/zinc/36/39/68/889363968.db2.gz JKJGLKZVCQNZAW-LLVKDONJSA-N 2 2 298.391 -1.278 20 0 CAADLP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001403862629 889379924 /nfs/dbraw/zinc/37/99/24/889379924.db2.gz AUDRMPFYGFOQIT-NXEZZACHSA-N 2 2 295.343 -1.750 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001403873876 889380256 /nfs/dbraw/zinc/38/02/56/889380256.db2.gz QDSWZTQIECJNER-LLVKDONJSA-N 2 2 297.359 -1.753 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001403885290 889382921 /nfs/dbraw/zinc/38/29/21/889382921.db2.gz XYKUTEYZHPCCIS-PSASIEDQSA-N 2 2 283.332 -1.765 20 0 CAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403884130 889385114 /nfs/dbraw/zinc/38/51/14/889385114.db2.gz VWOGEBJFABEZSM-MNOVXSKESA-N 2 2 295.343 -1.750 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403879680 889385663 /nfs/dbraw/zinc/38/56/63/889385663.db2.gz QACOJMFNYMUVOH-JTQLQIEISA-N 2 2 297.359 -1.551 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403879682 889386221 /nfs/dbraw/zinc/38/62/21/889386221.db2.gz QACOJMFNYMUVOH-SNVBAGLBSA-N 2 2 297.359 -1.551 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001404188943 889399799 /nfs/dbraw/zinc/39/97/99/889399799.db2.gz GRPINWAAAGQWAG-GFCCVEGCSA-N 2 2 298.387 -1.368 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001404188943 889399813 /nfs/dbraw/zinc/39/98/13/889399813.db2.gz GRPINWAAAGQWAG-GFCCVEGCSA-N 2 2 298.387 -1.368 20 0 CAADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001404810897 889417472 /nfs/dbraw/zinc/41/74/72/889417472.db2.gz XWONMNSVSOUOCG-ZDUSSCGKSA-N 2 2 295.387 -1.004 20 0 CAADLP C[NH+](C)CCCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001404899501 889420768 /nfs/dbraw/zinc/42/07/68/889420768.db2.gz CQSAXZVNSNWOEZ-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445233 889455178 /nfs/dbraw/zinc/45/51/78/889455178.db2.gz OBHDBYQJJSXAIM-RISCZKNCSA-N 2 2 298.387 -1.323 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445233 889455183 /nfs/dbraw/zinc/45/51/83/889455183.db2.gz OBHDBYQJJSXAIM-RISCZKNCSA-N 2 2 298.387 -1.323 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445263 889455290 /nfs/dbraw/zinc/45/52/90/889455290.db2.gz OBHDBYQJJSXAIM-SMDDNHRTSA-N 2 2 298.387 -1.323 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445263 889455297 /nfs/dbraw/zinc/45/52/97/889455297.db2.gz OBHDBYQJJSXAIM-SMDDNHRTSA-N 2 2 298.387 -1.323 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445176 889455337 /nfs/dbraw/zinc/45/53/37/889455337.db2.gz OBHDBYQJJSXAIM-BXUZGUMPSA-N 2 2 298.387 -1.323 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445176 889455342 /nfs/dbraw/zinc/45/53/42/889455342.db2.gz OBHDBYQJJSXAIM-BXUZGUMPSA-N 2 2 298.387 -1.323 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001405420206 889456359 /nfs/dbraw/zinc/45/63/59/889456359.db2.gz ZTNHSYKEOJOUQH-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445206 889456534 /nfs/dbraw/zinc/45/65/34/889456534.db2.gz OBHDBYQJJSXAIM-FZMZJTMJSA-N 2 2 298.387 -1.323 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C2CC2)C1 ZINC001405445206 889456544 /nfs/dbraw/zinc/45/65/44/889456544.db2.gz OBHDBYQJJSXAIM-FZMZJTMJSA-N 2 2 298.387 -1.323 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405789031 889466810 /nfs/dbraw/zinc/46/68/10/889466810.db2.gz AILXYTIXVDWMMS-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405789031 889466815 /nfs/dbraw/zinc/46/68/15/889466815.db2.gz AILXYTIXVDWMMS-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001405789036 889468368 /nfs/dbraw/zinc/46/83/68/889468368.db2.gz AILXYTIXVDWMMS-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001405789036 889468373 /nfs/dbraw/zinc/46/83/73/889468373.db2.gz AILXYTIXVDWMMS-MNOVXSKESA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405875505 889471087 /nfs/dbraw/zinc/47/10/87/889471087.db2.gz UZUZYQQXMJBMNN-MRVPVSSYSA-N 2 2 296.331 -1.416 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001406258420 889498148 /nfs/dbraw/zinc/49/81/48/889498148.db2.gz SJOAAXFVOCIWPO-JTQLQIEISA-N 2 2 297.359 -1.835 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001406260531 889500007 /nfs/dbraw/zinc/50/00/07/889500007.db2.gz XETXTYJWZOHICE-NXEZZACHSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001406265165 889502021 /nfs/dbraw/zinc/50/20/21/889502021.db2.gz CXJUZSQZJCKZNB-PSASIEDQSA-N 2 2 283.332 -1.847 20 0 CAADLP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001406271860 889503026 /nfs/dbraw/zinc/50/30/26/889503026.db2.gz CQQPTSCJOLVKTE-NSHDSACASA-N 2 2 292.343 -1.047 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001406265168 889504230 /nfs/dbraw/zinc/50/42/30/889504230.db2.gz CXJUZSQZJCKZNB-WPRPVWTQSA-N 2 2 283.332 -1.847 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001406289408 889507065 /nfs/dbraw/zinc/50/70/65/889507065.db2.gz UZUUWNZVRUXBDK-NSHDSACASA-N 2 2 297.359 -1.883 20 0 CAADLP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001406313137 889511648 /nfs/dbraw/zinc/51/16/48/889511648.db2.gz IQJGLKOUHZPWHM-GFCCVEGCSA-N 2 2 292.343 -1.117 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406450328 889520301 /nfs/dbraw/zinc/52/03/01/889520301.db2.gz DROJBDSUGIUUNM-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406450328 889520310 /nfs/dbraw/zinc/52/03/10/889520310.db2.gz DROJBDSUGIUUNM-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407089791 889553470 /nfs/dbraw/zinc/55/34/70/889553470.db2.gz BRBWOVRHGNSEBH-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001407089791 889553480 /nfs/dbraw/zinc/55/34/80/889553480.db2.gz BRBWOVRHGNSEBH-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389802 889570141 /nfs/dbraw/zinc/57/01/41/889570141.db2.gz YYLAMSAJLQRWEL-DGCLKSJQSA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389802 889570149 /nfs/dbraw/zinc/57/01/49/889570149.db2.gz YYLAMSAJLQRWEL-DGCLKSJQSA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389813 889570264 /nfs/dbraw/zinc/57/02/64/889570264.db2.gz YYLAMSAJLQRWEL-YPMHNXCESA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389813 889570270 /nfs/dbraw/zinc/57/02/70/889570270.db2.gz YYLAMSAJLQRWEL-YPMHNXCESA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001408044962 889598713 /nfs/dbraw/zinc/59/87/13/889598713.db2.gz RBQDMUAXZFHJQN-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(NC1(CCO)C[NH+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001409697045 889642431 /nfs/dbraw/zinc/64/24/31/889642431.db2.gz IOTGNQPCCRIEIR-CYBMUJFWSA-N 2 2 297.399 -1.127 20 0 CAADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001409752236 889644228 /nfs/dbraw/zinc/64/42/28/889644228.db2.gz FYTCEZOOIXQTHW-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409752236 889644231 /nfs/dbraw/zinc/64/42/31/889644231.db2.gz FYTCEZOOIXQTHW-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001409752235 889644693 /nfs/dbraw/zinc/64/46/93/889644693.db2.gz FYTCEZOOIXQTHW-RYUDHWBXSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001409752235 889644697 /nfs/dbraw/zinc/64/46/97/889644697.db2.gz FYTCEZOOIXQTHW-RYUDHWBXSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001409752232 889645287 /nfs/dbraw/zinc/64/52/87/889645287.db2.gz FYTCEZOOIXQTHW-NWDGAFQWSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409752232 889645293 /nfs/dbraw/zinc/64/52/93/889645293.db2.gz FYTCEZOOIXQTHW-NWDGAFQWSA-N 2 2 285.388 -1.128 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001409754482 889646467 /nfs/dbraw/zinc/64/64/67/889646467.db2.gz YMJYLZKGZXSLMA-UHFFFAOYSA-N 2 2 273.377 -1.128 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001409754482 889646476 /nfs/dbraw/zinc/64/64/76/889646476.db2.gz YMJYLZKGZXSLMA-UHFFFAOYSA-N 2 2 273.377 -1.128 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410586218 889687662 /nfs/dbraw/zinc/68/76/62/889687662.db2.gz LQWLJTSNPSMLHI-WDEREUQCSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410586218 889687667 /nfs/dbraw/zinc/68/76/67/889687667.db2.gz LQWLJTSNPSMLHI-WDEREUQCSA-N 2 2 296.375 -1.524 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001410735822 889710196 /nfs/dbraw/zinc/71/01/96/889710196.db2.gz VJVPBYHLHVLAPI-WDEREUQCSA-N 2 2 297.359 -1.353 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410781702 889713308 /nfs/dbraw/zinc/71/33/08/889713308.db2.gz GCKXYQRDJKQVKM-LLVKDONJSA-N 2 2 296.375 -1.522 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410780354 889713703 /nfs/dbraw/zinc/71/37/03/889713703.db2.gz FFQRERRNXUULKX-LLVKDONJSA-N 2 2 286.376 -1.715 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001410795969 889716902 /nfs/dbraw/zinc/71/69/02/889716902.db2.gz YIAACANIKPPPAY-JTQLQIEISA-N 2 2 283.332 -1.996 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411125901 889733409 /nfs/dbraw/zinc/73/34/09/889733409.db2.gz MOOMMRIQHLDWQH-QWRGUYRKSA-N 2 2 297.359 -1.574 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411125873 889734459 /nfs/dbraw/zinc/73/44/59/889734459.db2.gz MOOMMRIQHLDWQH-GHMZBOCLSA-N 2 2 297.359 -1.574 20 0 CAADLP CNC(=O)C[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001412914860 889908270 /nfs/dbraw/zinc/90/82/70/889908270.db2.gz ANFBJXYYYAEWAN-UHFFFAOYSA-N 2 2 280.336 -1.706 20 0 CAADLP CNC(=O)C[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001412914860 889908278 /nfs/dbraw/zinc/90/82/78/889908278.db2.gz ANFBJXYYYAEWAN-UHFFFAOYSA-N 2 2 280.336 -1.706 20 0 CAADLP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418324415 890210388 /nfs/dbraw/zinc/21/03/88/890210388.db2.gz ZVBMCMLWYYZOEG-SECBINFHSA-N 2 2 296.331 -1.567 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001418522984 890230905 /nfs/dbraw/zinc/23/09/05/890230905.db2.gz BONZXRADWFBIAS-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001418522984 890230917 /nfs/dbraw/zinc/23/09/17/890230917.db2.gz BONZXRADWFBIAS-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)[C@H]1CCNC1=O ZINC001418507568 890231927 /nfs/dbraw/zinc/23/19/27/890231927.db2.gz OEYSSHGNAKBXRP-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)[C@H]1CCNC1=O ZINC001418507568 890231943 /nfs/dbraw/zinc/23/19/43/890231943.db2.gz OEYSSHGNAKBXRP-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@H+](CCNC(=O)CC[NH+]1CCOCC1)[C@@H]1CCNC1=O ZINC001418507558 890234052 /nfs/dbraw/zinc/23/40/52/890234052.db2.gz OEYSSHGNAKBXRP-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@@H+](CCNC(=O)CC[NH+]1CCOCC1)[C@@H]1CCNC1=O ZINC001418507558 890234066 /nfs/dbraw/zinc/23/40/66/890234066.db2.gz OEYSSHGNAKBXRP-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637944 890249559 /nfs/dbraw/zinc/24/95/59/890249559.db2.gz ISIUXKZYMYHYNG-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637944 890249573 /nfs/dbraw/zinc/24/95/73/890249573.db2.gz ISIUXKZYMYHYNG-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637944 890249588 /nfs/dbraw/zinc/24/95/88/890249588.db2.gz ISIUXKZYMYHYNG-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637944 890249604 /nfs/dbraw/zinc/24/96/04/890249604.db2.gz ISIUXKZYMYHYNG-YNEHKIRRSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747446 890256855 /nfs/dbraw/zinc/25/68/55/890256855.db2.gz HKZGPOJVDXIOFQ-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001418747446 890256871 /nfs/dbraw/zinc/25/68/71/890256871.db2.gz HKZGPOJVDXIOFQ-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001418747446 890256882 /nfs/dbraw/zinc/25/68/82/890256882.db2.gz HKZGPOJVDXIOFQ-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001418747446 890256894 /nfs/dbraw/zinc/25/68/94/890256894.db2.gz HKZGPOJVDXIOFQ-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419092838 890298517 /nfs/dbraw/zinc/29/85/17/890298517.db2.gz SWJQUJHYZPVCNQ-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419092838 890298532 /nfs/dbraw/zinc/29/85/32/890298532.db2.gz SWJQUJHYZPVCNQ-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001420189514 890410397 /nfs/dbraw/zinc/41/03/97/890410397.db2.gz DWKYMEUDGWEDLC-MWLCHTKSSA-N 2 2 270.333 -1.590 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001420189539 890412012 /nfs/dbraw/zinc/41/20/12/890412012.db2.gz DWKYMEUDGWEDLC-ONGXEEELSA-N 2 2 270.333 -1.590 20 0 CAADLP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+](C)CC(N)=O)n1 ZINC001420219938 890419003 /nfs/dbraw/zinc/41/90/03/890419003.db2.gz PEBVJTDJFRFQIB-UHFFFAOYSA-N 2 2 296.375 -1.408 20 0 CAADLP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+](C)CC(N)=O)n1 ZINC001420219938 890419006 /nfs/dbraw/zinc/41/90/06/890419006.db2.gz PEBVJTDJFRFQIB-UHFFFAOYSA-N 2 2 296.375 -1.408 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001420309506 890429007 /nfs/dbraw/zinc/42/90/07/890429007.db2.gz VBELTPWIWXUZML-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420367380 890437234 /nfs/dbraw/zinc/43/72/34/890437234.db2.gz QXJPYLVZZYTAOU-KOLCDFICSA-N 2 2 279.344 -1.055 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420406852 890440468 /nfs/dbraw/zinc/44/04/68/890440468.db2.gz XARKUARBTRYVRZ-QWRGUYRKSA-N 2 2 286.376 -1.453 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420406852 890440472 /nfs/dbraw/zinc/44/04/72/890440472.db2.gz XARKUARBTRYVRZ-QWRGUYRKSA-N 2 2 286.376 -1.453 20 0 CAADLP CN(CC[NH+]1CCN(CC(N)=O)CC1)C(=O)CC[NH+](C)C ZINC001420907456 890473535 /nfs/dbraw/zinc/47/35/35/890473535.db2.gz MOMUKGSIWRNHQT-UHFFFAOYSA-N 2 2 299.419 -1.501 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421145061 890487111 /nfs/dbraw/zinc/48/71/11/890487111.db2.gz PQUGHQFLFWZJRN-UHFFFAOYSA-N 2 2 279.344 -1.014 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421420403 890510815 /nfs/dbraw/zinc/51/08/15/890510815.db2.gz VJLWDZNYSKBNGG-QWRGUYRKSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421420403 890510831 /nfs/dbraw/zinc/51/08/31/890510831.db2.gz VJLWDZNYSKBNGG-QWRGUYRKSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H]([NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001421825113 890534058 /nfs/dbraw/zinc/53/40/58/890534058.db2.gz JRPMDCKZNMDRRO-MNOVXSKESA-N 2 2 295.343 -1.426 20 0 CAADLP C[C@H]([NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1)C(N)=O ZINC001421825753 890536149 /nfs/dbraw/zinc/53/61/49/890536149.db2.gz RMOJHFWJTZHIGF-ONGXEEELSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1)C(N)=O ZINC001421825748 890536371 /nfs/dbraw/zinc/53/63/71/890536371.db2.gz RMOJHFWJTZHIGF-MWLCHTKSSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1)C(N)=O ZINC001421825737 890536960 /nfs/dbraw/zinc/53/69/60/890536960.db2.gz RMOJHFWJTZHIGF-GXSJLCMTSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001422353975 890581413 /nfs/dbraw/zinc/58/14/13/890581413.db2.gz WRPNIMKYGOKXFB-NXEZZACHSA-N 2 2 283.332 -1.786 20 0 CAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001422372265 890584269 /nfs/dbraw/zinc/58/42/69/890584269.db2.gz PNHWUJHODUWKTF-GFCCVEGCSA-N 2 2 292.343 -1.047 20 0 CAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001422372269 890584377 /nfs/dbraw/zinc/58/43/77/890584377.db2.gz PNHWUJHODUWKTF-LBPRGKRZSA-N 2 2 292.343 -1.047 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001422379095 890585251 /nfs/dbraw/zinc/58/52/51/890585251.db2.gz XSYUZNPEYAOJTM-ONGXEEELSA-N 2 2 297.359 -1.504 20 0 CAADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422417694 890592120 /nfs/dbraw/zinc/59/21/20/890592120.db2.gz BJZWJLZOHAUZCI-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422417694 890592128 /nfs/dbraw/zinc/59/21/28/890592128.db2.gz BJZWJLZOHAUZCI-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP C[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CCO)C2)CC1 ZINC001422642783 890606905 /nfs/dbraw/zinc/60/69/05/890606905.db2.gz MPCPKNCUWHAWEV-UHFFFAOYSA-N 2 2 285.388 -1.127 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001422858753 890617254 /nfs/dbraw/zinc/61/72/54/890617254.db2.gz RXKMQJZJSSCMOU-ZJUUUORDSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001422858749 890617426 /nfs/dbraw/zinc/61/74/26/890617426.db2.gz RXKMQJZJSSCMOU-UWVGGRQHSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001423246261 890652379 /nfs/dbraw/zinc/65/23/79/890652379.db2.gz NSWDSBBNNGOGLZ-VHSXEESVSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001423293928 890659842 /nfs/dbraw/zinc/65/98/42/890659842.db2.gz JRFJPBYJNXKNRS-UWVGGRQHSA-N 2 2 270.333 -1.590 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001423285561 890661435 /nfs/dbraw/zinc/66/14/35/890661435.db2.gz HSFADRDQHJUJPP-UWVGGRQHSA-N 2 2 295.343 -1.784 20 0 CAADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001423293930 890662289 /nfs/dbraw/zinc/66/22/89/890662289.db2.gz JRFJPBYJNXKNRS-ZJUUUORDSA-N 2 2 270.333 -1.590 20 0 CAADLP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423299111 890665191 /nfs/dbraw/zinc/66/51/91/890665191.db2.gz FEAQVTGGOXIVFT-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001423312081 890668280 /nfs/dbraw/zinc/66/82/80/890668280.db2.gz LBRSJKKIKBZUSC-UHFFFAOYSA-N 2 2 294.315 -1.684 20 0 CAADLP C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001423465562 890678068 /nfs/dbraw/zinc/67/80/68/890678068.db2.gz KCOSKQSIIIIXSU-GHMZBOCLSA-N 2 2 297.359 -1.272 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001423479163 890679807 /nfs/dbraw/zinc/67/98/07/890679807.db2.gz LRNXSJBZLROJHC-JQWIXIFHSA-N 2 2 284.360 -1.248 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802549 890697662 /nfs/dbraw/zinc/69/76/62/890697662.db2.gz ROELEGYEELETCJ-BXUZGUMPSA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802549 890697671 /nfs/dbraw/zinc/69/76/71/890697671.db2.gz ROELEGYEELETCJ-BXUZGUMPSA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802550 890699517 /nfs/dbraw/zinc/69/95/17/890699517.db2.gz ROELEGYEELETCJ-FZMZJTMJSA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423802550 890699527 /nfs/dbraw/zinc/69/95/27/890699527.db2.gz ROELEGYEELETCJ-FZMZJTMJSA-N 2 2 298.387 -1.491 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423921751 890716931 /nfs/dbraw/zinc/71/69/31/890716931.db2.gz WLDNMPDDSMTSNC-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423921751 890716940 /nfs/dbraw/zinc/71/69/40/890716940.db2.gz WLDNMPDDSMTSNC-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001425363031 890773281 /nfs/dbraw/zinc/77/32/81/890773281.db2.gz OYPLKKNUCVZLCO-KOLCDFICSA-N 2 2 295.343 -1.357 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001425363037 890774576 /nfs/dbraw/zinc/77/45/76/890774576.db2.gz OYPLKKNUCVZLCO-MWLCHTKSSA-N 2 2 295.343 -1.357 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708623 890795085 /nfs/dbraw/zinc/79/50/85/890795085.db2.gz GLIAKTBTLBQNCT-NEPJUHHUSA-N 2 2 298.387 -1.574 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NC1CC1 ZINC001425708623 890795097 /nfs/dbraw/zinc/79/50/97/890795097.db2.gz GLIAKTBTLBQNCT-NEPJUHHUSA-N 2 2 298.387 -1.574 20 0 CAADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](CO)[NH2+]CCO ZINC001425742161 890811541 /nfs/dbraw/zinc/81/15/41/890811541.db2.gz JIZCMGBINZEZHX-GFCCVEGCSA-N 2 2 296.371 -1.179 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425776877 890816207 /nfs/dbraw/zinc/81/62/07/890816207.db2.gz PNVQKOQHULUSOS-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001425772751 890816668 /nfs/dbraw/zinc/81/66/68/890816668.db2.gz RQJUCMRACHLCFF-GHMZBOCLSA-N 2 2 286.376 -1.717 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001425772751 890816682 /nfs/dbraw/zinc/81/66/82/890816682.db2.gz RQJUCMRACHLCFF-GHMZBOCLSA-N 2 2 286.376 -1.717 20 0 CAADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001425795871 890822740 /nfs/dbraw/zinc/82/27/40/890822740.db2.gz CCTUUZAPLFXOIR-MNOVXSKESA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001425829408 890828083 /nfs/dbraw/zinc/82/80/83/890828083.db2.gz SXKCBIWQAUNRIA-VHSXEESVSA-N 2 2 283.332 -1.717 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001425831287 890829470 /nfs/dbraw/zinc/82/94/70/890829470.db2.gz BPVGQZVHQFBCNZ-BDAKNGLRSA-N 2 2 283.332 -1.799 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001425826824 890829624 /nfs/dbraw/zinc/82/96/24/890829624.db2.gz SYPKBZOPMVKGBT-NSHDSACASA-N 2 2 292.343 -1.084 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001425845322 890831582 /nfs/dbraw/zinc/83/15/82/890831582.db2.gz VHYFQUKNUGONJG-SECBINFHSA-N 2 2 283.332 -1.927 20 0 CAADLP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001425846120 890832607 /nfs/dbraw/zinc/83/26/07/890832607.db2.gz IASLXKMJTQXNEE-WDEREUQCSA-N 2 2 295.343 -1.820 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425852882 890833778 /nfs/dbraw/zinc/83/37/78/890833778.db2.gz WVGQJQBEYJWKNV-NEPJUHHUSA-N 2 2 282.344 -1.014 20 0 CAADLP Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425843703 890833831 /nfs/dbraw/zinc/83/38/31/890833831.db2.gz SQRZXFKIPXDUDT-QWRGUYRKSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1nonc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425843703 890833856 /nfs/dbraw/zinc/83/38/56/890833856.db2.gz SQRZXFKIPXDUDT-QWRGUYRKSA-N 2 2 297.359 -1.104 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425852885 890833942 /nfs/dbraw/zinc/83/39/42/890833942.db2.gz WVGQJQBEYJWKNV-RYUDHWBXSA-N 2 2 282.344 -1.014 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001426032429 890843250 /nfs/dbraw/zinc/84/32/50/890843250.db2.gz JRBUNSXUDHASQI-GXSJLCMTSA-N 2 2 297.359 -1.518 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001426032429 890843270 /nfs/dbraw/zinc/84/32/70/890843270.db2.gz JRBUNSXUDHASQI-GXSJLCMTSA-N 2 2 297.359 -1.518 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001426022372 890845359 /nfs/dbraw/zinc/84/53/59/890845359.db2.gz GFGFWTRGISTFBS-NXEZZACHSA-N 2 2 270.333 -1.258 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001436746751 891156655 /nfs/dbraw/zinc/15/66/55/891156655.db2.gz LFUKJJUAYLRFMX-VHSXEESVSA-N 2 2 297.359 -1.677 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001436746751 891156658 /nfs/dbraw/zinc/15/66/58/891156658.db2.gz LFUKJJUAYLRFMX-VHSXEESVSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC001436746751 891156661 /nfs/dbraw/zinc/15/66/61/891156661.db2.gz LFUKJJUAYLRFMX-VHSXEESVSA-N 2 2 297.359 -1.677 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC001436746751 891156664 /nfs/dbraw/zinc/15/66/64/891156664.db2.gz LFUKJJUAYLRFMX-VHSXEESVSA-N 2 2 297.359 -1.677 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001436823458 891157063 /nfs/dbraw/zinc/15/70/63/891157063.db2.gz CBNHIEPKTBLBAD-LLVKDONJSA-N 2 2 279.344 -1.068 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437281709 891171723 /nfs/dbraw/zinc/17/17/23/891171723.db2.gz DOXRDHHBDGAFAW-QMMMGPOBSA-N 2 2 294.315 -1.662 20 0 CAADLP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001438231423 891214432 /nfs/dbraw/zinc/21/44/32/891214432.db2.gz MVLHNAWDXSXHSP-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001438231423 891214448 /nfs/dbraw/zinc/21/44/48/891214448.db2.gz MVLHNAWDXSXHSP-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001438459257 891215834 /nfs/dbraw/zinc/21/58/34/891215834.db2.gz WYQHBOWSNPHUCT-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001438459257 891215851 /nfs/dbraw/zinc/21/58/51/891215851.db2.gz WYQHBOWSNPHUCT-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)NC(N)=O ZINC001438547739 891223456 /nfs/dbraw/zinc/22/34/56/891223456.db2.gz GEQJCCPKSNEYGI-VIFPVBQESA-N 2 2 296.331 -1.580 20 0 CAADLP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001438900515 891237268 /nfs/dbraw/zinc/23/72/68/891237268.db2.gz LJFVLWQHSSUOAG-SNVBAGLBSA-N 2 2 299.375 -1.334 20 0 CAADLP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001438900515 891237285 /nfs/dbraw/zinc/23/72/85/891237285.db2.gz LJFVLWQHSSUOAG-SNVBAGLBSA-N 2 2 299.375 -1.334 20 0 CAADLP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438900515 891237304 /nfs/dbraw/zinc/23/73/04/891237304.db2.gz LJFVLWQHSSUOAG-SNVBAGLBSA-N 2 2 299.375 -1.334 20 0 CAADLP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001438900515 891237320 /nfs/dbraw/zinc/23/73/20/891237320.db2.gz LJFVLWQHSSUOAG-SNVBAGLBSA-N 2 2 299.375 -1.334 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001438992087 891262037 /nfs/dbraw/zinc/26/20/37/891262037.db2.gz HNENFVGZVQADCK-MWLCHTKSSA-N 2 2 297.359 -1.457 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001438992087 891262053 /nfs/dbraw/zinc/26/20/53/891262053.db2.gz HNENFVGZVQADCK-MWLCHTKSSA-N 2 2 297.359 -1.457 20 0 CAADLP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001439025607 891269827 /nfs/dbraw/zinc/26/98/27/891269827.db2.gz GEZFDYYRQRITEK-NSHDSACASA-N 2 2 297.359 -1.457 20 0 CAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001439059845 891278430 /nfs/dbraw/zinc/27/84/30/891278430.db2.gz RGEZWFHVKPTFKA-GFCCVEGCSA-N 2 2 296.375 -1.522 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439049127 891279732 /nfs/dbraw/zinc/27/97/32/891279732.db2.gz RLKFVYRPBMDCTA-MWLCHTKSSA-N 2 2 297.359 -1.836 20 0 CAADLP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001439059870 891281108 /nfs/dbraw/zinc/28/11/08/891281108.db2.gz RGEZWFHVKPTFKA-LBPRGKRZSA-N 2 2 296.375 -1.522 20 0 CAADLP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001439196935 891292738 /nfs/dbraw/zinc/29/27/38/891292738.db2.gz BWIRBMRMMDHGHC-QWRGUYRKSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439196935 891292750 /nfs/dbraw/zinc/29/27/50/891292750.db2.gz BWIRBMRMMDHGHC-QWRGUYRKSA-N 2 2 296.375 -1.260 20 0 CAADLP NC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001439967872 891326861 /nfs/dbraw/zinc/32/68/61/891326861.db2.gz YSOLGWCMCORTGC-UHFFFAOYSA-N 2 2 295.343 -1.308 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017433 891339833 /nfs/dbraw/zinc/33/98/33/891339833.db2.gz QKHJWMURELIEHG-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017433 891339836 /nfs/dbraw/zinc/33/98/36/891339836.db2.gz QKHJWMURELIEHG-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001440017433 891339859 /nfs/dbraw/zinc/33/98/59/891339859.db2.gz QKHJWMURELIEHG-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001440017433 891339874 /nfs/dbraw/zinc/33/98/74/891339874.db2.gz QKHJWMURELIEHG-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001440070166 891351873 /nfs/dbraw/zinc/35/18/73/891351873.db2.gz VJIREOTVMZEXMS-NSHDSACASA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001440070165 891353842 /nfs/dbraw/zinc/35/38/42/891353842.db2.gz VJIREOTVMZEXMS-LLVKDONJSA-N 2 2 285.388 -1.128 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440698760 891376573 /nfs/dbraw/zinc/37/65/73/891376573.db2.gz SHQHFQWBFHUSNN-NSHDSACASA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001440698760 891376583 /nfs/dbraw/zinc/37/65/83/891376583.db2.gz SHQHFQWBFHUSNN-NSHDSACASA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001440848391 891384365 /nfs/dbraw/zinc/38/43/65/891384365.db2.gz IHDRSCZGNMFBEO-IUCAKERBSA-N 2 2 296.331 -1.439 20 0 CAADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001440848392 891385452 /nfs/dbraw/zinc/38/54/52/891385452.db2.gz IHDRSCZGNMFBEO-RKDXNWHRSA-N 2 2 296.331 -1.439 20 0 CAADLP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440848389 891385610 /nfs/dbraw/zinc/38/56/10/891385610.db2.gz IHDRSCZGNMFBEO-BDAKNGLRSA-N 2 2 296.331 -1.439 20 0 CAADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001441609683 891419378 /nfs/dbraw/zinc/41/93/78/891419378.db2.gz QPYREHKAHFCPKS-MRVPVSSYSA-N 2 2 296.331 -1.416 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001441712538 891436561 /nfs/dbraw/zinc/43/65/61/891436561.db2.gz DPCHDFJDRYZKPF-MNOVXSKESA-N 2 2 282.344 -1.496 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001441726669 891439354 /nfs/dbraw/zinc/43/93/54/891439354.db2.gz VHPOUNNKFDDUTQ-VHSXEESVSA-N 2 2 283.332 -1.786 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001441720038 891440273 /nfs/dbraw/zinc/44/02/73/891440273.db2.gz LTZRAHQCRGCSQY-SNVBAGLBSA-N 2 2 283.332 -1.996 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001441726663 891441681 /nfs/dbraw/zinc/44/16/81/891441681.db2.gz VHPOUNNKFDDUTQ-NXEZZACHSA-N 2 2 283.332 -1.786 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001441742850 891441723 /nfs/dbraw/zinc/44/17/23/891441723.db2.gz GQSGVSDOESWONC-SNVBAGLBSA-N 2 2 284.364 -1.368 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](CO)[NH2+]CCO)no1 ZINC001441719694 891441740 /nfs/dbraw/zinc/44/17/40/891441740.db2.gz MEWJEKCTOUVMDT-SECBINFHSA-N 2 2 286.332 -1.591 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441750876 891442500 /nfs/dbraw/zinc/44/25/00/891442500.db2.gz NDAMALDGUSPXKA-WDEREUQCSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001441750874 891443726 /nfs/dbraw/zinc/44/37/26/891443726.db2.gz NDAMALDGUSPXKA-QWRGUYRKSA-N 2 2 295.343 -1.703 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441789360 891451022 /nfs/dbraw/zinc/45/10/22/891451022.db2.gz IKYHFECADGIRLJ-NXEZZACHSA-N 2 2 297.363 -2.272 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441789360 891451028 /nfs/dbraw/zinc/45/10/28/891451028.db2.gz IKYHFECADGIRLJ-NXEZZACHSA-N 2 2 297.363 -2.272 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780619 891452211 /nfs/dbraw/zinc/45/22/11/891452211.db2.gz FBQFJMKHLQOWKG-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780619 891452221 /nfs/dbraw/zinc/45/22/21/891452221.db2.gz FBQFJMKHLQOWKG-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001441773465 891452613 /nfs/dbraw/zinc/45/26/13/891452613.db2.gz QXGYVYZKWCOEQT-JTQLQIEISA-N 2 2 297.359 -1.835 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001441787678 891452626 /nfs/dbraw/zinc/45/26/26/891452626.db2.gz MDEKSBAXIOMGAA-SNVBAGLBSA-N 2 2 297.359 -1.835 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441791066 891454603 /nfs/dbraw/zinc/45/46/03/891454603.db2.gz KSGQWHWSIWBLAB-SNVBAGLBSA-N 2 2 297.363 -2.127 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001442042766 891475464 /nfs/dbraw/zinc/47/54/64/891475464.db2.gz PJTHROPHJVZFLT-VIFPVBQESA-N 2 2 297.359 -1.419 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001442046928 891475569 /nfs/dbraw/zinc/47/55/69/891475569.db2.gz AGMMJTGYMWTAEE-NSHDSACASA-N 2 2 297.359 -1.620 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086360 891479036 /nfs/dbraw/zinc/47/90/36/891479036.db2.gz TYJLPZLVCKUNTG-ONGXEEELSA-N 2 2 297.359 -1.423 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442086360 891479047 /nfs/dbraw/zinc/47/90/47/891479047.db2.gz TYJLPZLVCKUNTG-ONGXEEELSA-N 2 2 297.359 -1.423 20 0 CAADLP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001442055183 891481104 /nfs/dbraw/zinc/48/11/04/891481104.db2.gz HDWGVMXPKHOJIA-MNOVXSKESA-N 2 2 295.343 -1.820 20 0 CAADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442374654 891490183 /nfs/dbraw/zinc/49/01/83/891490183.db2.gz LLVFFDNWEDZFEY-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442374654 891490193 /nfs/dbraw/zinc/49/01/93/891490193.db2.gz LLVFFDNWEDZFEY-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442374654 891490198 /nfs/dbraw/zinc/49/01/98/891490198.db2.gz LLVFFDNWEDZFEY-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442374654 891490207 /nfs/dbraw/zinc/49/02/07/891490207.db2.gz LLVFFDNWEDZFEY-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(N)=O)C1 ZINC001442599189 891499505 /nfs/dbraw/zinc/49/95/05/891499505.db2.gz MCXZNQXACCBMIJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)[C@H](C)C(N)=O)C1 ZINC001442599189 891499512 /nfs/dbraw/zinc/49/95/12/891499512.db2.gz MCXZNQXACCBMIJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001442599189 891499520 /nfs/dbraw/zinc/49/95/20/891499520.db2.gz MCXZNQXACCBMIJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001442599189 891499530 /nfs/dbraw/zinc/49/95/30/891499530.db2.gz MCXZNQXACCBMIJ-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H](C)C(N)=O)C1 ZINC001442599191 891501257 /nfs/dbraw/zinc/50/12/57/891501257.db2.gz MCXZNQXACCBMIJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@H](C)C(N)=O)C1 ZINC001442599191 891501267 /nfs/dbraw/zinc/50/12/67/891501267.db2.gz MCXZNQXACCBMIJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001442599191 891501272 /nfs/dbraw/zinc/50/12/72/891501272.db2.gz MCXZNQXACCBMIJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001442599191 891501275 /nfs/dbraw/zinc/50/12/75/891501275.db2.gz MCXZNQXACCBMIJ-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444697855 891588210 /nfs/dbraw/zinc/58/82/10/891588210.db2.gz ZYPIKBBKXLHTJB-MRVPVSSYSA-N 2 2 296.331 -1.416 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001445145578 891603991 /nfs/dbraw/zinc/60/39/91/891603991.db2.gz CYPOPRJKGRPZBB-MNOVXSKESA-N 2 2 283.332 -1.270 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001445145578 891603999 /nfs/dbraw/zinc/60/39/99/891603999.db2.gz CYPOPRJKGRPZBB-MNOVXSKESA-N 2 2 283.332 -1.270 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445215586 891616408 /nfs/dbraw/zinc/61/64/08/891616408.db2.gz ZKDJTIRSNKYEBK-MNOVXSKESA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445215586 891616413 /nfs/dbraw/zinc/61/64/13/891616413.db2.gz ZKDJTIRSNKYEBK-MNOVXSKESA-N 2 2 295.343 -1.703 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001445200184 891616590 /nfs/dbraw/zinc/61/65/90/891616590.db2.gz IJKKXSODXQVNOT-VIFPVBQESA-N 2 2 283.332 -2.095 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001445200176 891617293 /nfs/dbraw/zinc/61/72/93/891617293.db2.gz IJKKXSODXQVNOT-SECBINFHSA-N 2 2 283.332 -2.095 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445238878 891620180 /nfs/dbraw/zinc/62/01/80/891620180.db2.gz MCUQDZKDWFMPAQ-ONGXEEELSA-N 2 2 297.359 -1.599 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445238878 891620185 /nfs/dbraw/zinc/62/01/85/891620185.db2.gz MCUQDZKDWFMPAQ-ONGXEEELSA-N 2 2 297.359 -1.599 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001445240290 891620501 /nfs/dbraw/zinc/62/05/01/891620501.db2.gz AUCNMUAJUMTVST-UWVGGRQHSA-N 2 2 283.332 -1.717 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445238876 891621678 /nfs/dbraw/zinc/62/16/78/891621678.db2.gz MCUQDZKDWFMPAQ-KOLCDFICSA-N 2 2 297.359 -1.599 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001445238876 891621683 /nfs/dbraw/zinc/62/16/83/891621683.db2.gz MCUQDZKDWFMPAQ-KOLCDFICSA-N 2 2 297.359 -1.599 20 0 CAADLP O=C(C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1)NC1CC1 ZINC001445255320 891625354 /nfs/dbraw/zinc/62/53/54/891625354.db2.gz OBIFDKAXTRNIGZ-NSHDSACASA-N 2 2 295.343 -1.703 20 0 CAADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001445248037 891625568 /nfs/dbraw/zinc/62/55/68/891625568.db2.gz HNLIAHPCNQHFNQ-UWVGGRQHSA-N 2 2 283.332 -1.614 20 0 CAADLP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001445261310 891625839 /nfs/dbraw/zinc/62/58/39/891625839.db2.gz ZATMVUGLCWNNPS-VHSXEESVSA-N 2 2 297.359 -1.409 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001445261286 891626198 /nfs/dbraw/zinc/62/61/98/891626198.db2.gz ZATMVUGLCWNNPS-NXEZZACHSA-N 2 2 297.359 -1.409 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445265775 891626235 /nfs/dbraw/zinc/62/62/35/891626235.db2.gz ZFTITUHJSUKAMX-VHSXEESVSA-N 2 2 281.316 -2.093 20 0 CAADLP C[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001445248048 891626537 /nfs/dbraw/zinc/62/65/37/891626537.db2.gz HNLIAHPCNQHFNQ-ZJUUUORDSA-N 2 2 283.332 -1.614 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001445276008 891628379 /nfs/dbraw/zinc/62/83/79/891628379.db2.gz DPZKNSDBTFPJOU-LLVKDONJSA-N 2 2 295.343 -1.818 20 0 CAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001445277041 891629454 /nfs/dbraw/zinc/62/94/54/891629454.db2.gz PFSQAAHWJJHVKS-NSHDSACASA-N 2 2 292.343 -1.047 20 0 CAADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445305902 891629478 /nfs/dbraw/zinc/62/94/78/891629478.db2.gz LAQDDTBMEXIFON-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445305902 891629485 /nfs/dbraw/zinc/62/94/85/891629485.db2.gz LAQDDTBMEXIFON-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001446155957 891666493 /nfs/dbraw/zinc/66/64/93/891666493.db2.gz WXSXMCOSYCJVGX-VIFPVBQESA-N 2 2 270.333 -1.959 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001446155957 891666494 /nfs/dbraw/zinc/66/64/94/891666494.db2.gz WXSXMCOSYCJVGX-VIFPVBQESA-N 2 2 270.333 -1.959 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001446438832 891679671 /nfs/dbraw/zinc/67/96/71/891679671.db2.gz WYQHBOWSNPHUCT-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001446438832 891679675 /nfs/dbraw/zinc/67/96/75/891679675.db2.gz WYQHBOWSNPHUCT-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001446758870 891687794 /nfs/dbraw/zinc/68/77/94/891687794.db2.gz PLZMSNJJEDSORP-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446758870 891687799 /nfs/dbraw/zinc/68/77/99/891687799.db2.gz PLZMSNJJEDSORP-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001446799434 891691057 /nfs/dbraw/zinc/69/10/57/891691057.db2.gz WUVNYWIJDWPJCD-CYBMUJFWSA-N 2 2 295.343 -1.770 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001446799434 891691068 /nfs/dbraw/zinc/69/10/68/891691068.db2.gz WUVNYWIJDWPJCD-CYBMUJFWSA-N 2 2 295.343 -1.770 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001446833215 891696517 /nfs/dbraw/zinc/69/65/17/891696517.db2.gz HOARNXZUJQEHFB-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@@H]1[C@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC[N@H+]1C ZINC001446833215 891696524 /nfs/dbraw/zinc/69/65/24/891696524.db2.gz HOARNXZUJQEHFB-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001446904534 891702069 /nfs/dbraw/zinc/70/20/69/891702069.db2.gz XDIPUWQCAGTKDT-RYUDHWBXSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446904534 891702082 /nfs/dbraw/zinc/70/20/82/891702082.db2.gz XDIPUWQCAGTKDT-RYUDHWBXSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001446904530 891702627 /nfs/dbraw/zinc/70/26/27/891702627.db2.gz XDIPUWQCAGTKDT-NWDGAFQWSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001446904530 891702643 /nfs/dbraw/zinc/70/26/43/891702643.db2.gz XDIPUWQCAGTKDT-NWDGAFQWSA-N 2 2 285.388 -1.128 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001446914262 891704024 /nfs/dbraw/zinc/70/40/24/891704024.db2.gz UUGLIRKIYSEPOS-UHFFFAOYSA-N 2 2 282.344 -1.263 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446915290 891704508 /nfs/dbraw/zinc/70/45/08/891704508.db2.gz DAVNPPKKKQCTBF-LLVKDONJSA-N 2 2 273.377 -1.130 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001446915290 891704526 /nfs/dbraw/zinc/70/45/26/891704526.db2.gz DAVNPPKKKQCTBF-LLVKDONJSA-N 2 2 273.377 -1.130 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446915291 891704686 /nfs/dbraw/zinc/70/46/86/891704686.db2.gz DAVNPPKKKQCTBF-NSHDSACASA-N 2 2 273.377 -1.130 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001446915291 891704700 /nfs/dbraw/zinc/70/47/00/891704700.db2.gz DAVNPPKKKQCTBF-NSHDSACASA-N 2 2 273.377 -1.130 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001447050144 891711464 /nfs/dbraw/zinc/71/14/64/891711464.db2.gz FHVSYTWWVHIJAK-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001447033454 891711588 /nfs/dbraw/zinc/71/15/88/891711588.db2.gz CNWNONGFUBPRNL-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001447033454 891711603 /nfs/dbraw/zinc/71/16/03/891711603.db2.gz CNWNONGFUBPRNL-CQSZACIVSA-N 2 2 296.371 -1.102 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+][C@H](C)C(N)=O ZINC001447061929 891712979 /nfs/dbraw/zinc/71/29/79/891712979.db2.gz WOHIFGFNSJNVLR-SNVBAGLBSA-N 2 2 297.359 -1.455 20 0 CAADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001448902788 891806037 /nfs/dbraw/zinc/80/60/37/891806037.db2.gz FPURUKBVBAXEGD-ZJUUUORDSA-N 2 2 283.332 -1.614 20 0 CAADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001448910146 891806571 /nfs/dbraw/zinc/80/65/71/891806571.db2.gz PAMAOMFXDWEHNT-NEPJUHHUSA-N 2 2 298.391 -1.278 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001448923871 891809874 /nfs/dbraw/zinc/80/98/74/891809874.db2.gz LZKRTPNHSPWJMO-MWLCHTKSSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001448923871 891809887 /nfs/dbraw/zinc/80/98/87/891809887.db2.gz LZKRTPNHSPWJMO-MWLCHTKSSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448923869 891813016 /nfs/dbraw/zinc/81/30/16/891813016.db2.gz LZKRTPNHSPWJMO-KOLCDFICSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448923869 891813028 /nfs/dbraw/zinc/81/30/28/891813028.db2.gz LZKRTPNHSPWJMO-KOLCDFICSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001449166546 891836979 /nfs/dbraw/zinc/83/69/79/891836979.db2.gz XLJIIABMKIFPCW-GXSJLCMTSA-N 2 2 297.359 -1.755 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001449174058 891837019 /nfs/dbraw/zinc/83/70/19/891837019.db2.gz JLDKEJNYSQMPAQ-JTQLQIEISA-N 2 2 283.332 -1.962 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2CC(N)=O)CC1 ZINC001460256416 892146490 /nfs/dbraw/zinc/14/64/90/892146490.db2.gz WECMBBSQVSNGFZ-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2CC(N)=O)CC1 ZINC001460256416 892146493 /nfs/dbraw/zinc/14/64/93/892146493.db2.gz WECMBBSQVSNGFZ-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP CN(CC[NH+](C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001463231297 892164696 /nfs/dbraw/zinc/16/46/96/892164696.db2.gz OEQWUGHXSHNPBE-UHFFFAOYSA-N 2 2 264.395 -1.028 20 0 CAADLP COCC[N@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475200268 892438240 /nfs/dbraw/zinc/43/82/40/892438240.db2.gz FYOJUAMLVYUBSH-UHFFFAOYSA-N 2 2 294.421 -1.354 20 0 CAADLP COCC[N@@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001475200268 892438248 /nfs/dbraw/zinc/43/82/48/892438248.db2.gz FYOJUAMLVYUBSH-UHFFFAOYSA-N 2 2 294.421 -1.354 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001479345640 892472590 /nfs/dbraw/zinc/47/25/90/892472590.db2.gz GZPYFCRPKIRVAZ-AOOOYVTPSA-N 2 2 265.317 -1.147 20 0 CAADLP NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001480123106 892501418 /nfs/dbraw/zinc/50/14/18/892501418.db2.gz WWMYNFFKXUSIBI-VIFPVBQESA-N 2 2 294.315 -1.732 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480620673 892537619 /nfs/dbraw/zinc/53/76/19/892537619.db2.gz RBXQWRJYNGFQJJ-VIFPVBQESA-N 2 2 265.317 -1.111 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001480674246 892540517 /nfs/dbraw/zinc/54/05/17/892540517.db2.gz MKYSZDGBXCQRLG-SNVBAGLBSA-N 2 2 279.344 -1.114 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851712 892548542 /nfs/dbraw/zinc/54/85/42/892548542.db2.gz FCRWISMJJYUGOY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851712 892548544 /nfs/dbraw/zinc/54/85/44/892548544.db2.gz FCRWISMJJYUGOY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851712 892548548 /nfs/dbraw/zinc/54/85/48/892548548.db2.gz FCRWISMJJYUGOY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851712 892548550 /nfs/dbraw/zinc/54/85/50/892548550.db2.gz FCRWISMJJYUGOY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001481294632 892596098 /nfs/dbraw/zinc/59/60/98/892596098.db2.gz CSFVJTBAOKEIJQ-SECBINFHSA-N 2 2 265.317 -1.111 20 0 CAADLP COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001481322690 892598091 /nfs/dbraw/zinc/59/80/91/892598091.db2.gz JRHDGUVFDJRRQV-NSHDSACASA-N 2 2 270.333 -1.062 20 0 CAADLP C[NH+](C)CCC(=O)NC1C[NH+](CCOCCO)C1 ZINC001481581201 892610876 /nfs/dbraw/zinc/61/08/76/892610876.db2.gz QHMQLXCIAYVDRN-UHFFFAOYSA-N 2 2 259.350 -1.253 20 0 CAADLP CNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001481643094 892617328 /nfs/dbraw/zinc/61/73/28/892617328.db2.gz VDSITLBBBXNTNI-UHFFFAOYSA-N 2 2 299.375 -1.558 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001481892089 892630203 /nfs/dbraw/zinc/63/02/03/892630203.db2.gz YIEKWZFFTOVDKP-LLVKDONJSA-N 2 2 298.387 -1.179 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)C1 ZINC001481892089 892630208 /nfs/dbraw/zinc/63/02/08/892630208.db2.gz YIEKWZFFTOVDKP-LLVKDONJSA-N 2 2 298.387 -1.179 20 0 CAADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001481873086 892630638 /nfs/dbraw/zinc/63/06/38/892630638.db2.gz ZWIFOLLFIXAYEE-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001481873085 892630904 /nfs/dbraw/zinc/63/09/04/892630904.db2.gz ZWIFOLLFIXAYEE-SECBINFHSA-N 2 2 267.333 -1.068 20 0 CAADLP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001482742265 892682680 /nfs/dbraw/zinc/68/26/80/892682680.db2.gz PMJYNRGCZUZEJM-GHMZBOCLSA-N 2 2 285.348 -1.024 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001482743793 892682537 /nfs/dbraw/zinc/68/25/37/892682537.db2.gz JMFRMTPUFVVPBU-NWDGAFQWSA-N 2 2 296.371 -1.105 20 0 CAADLP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001482742277 892682942 /nfs/dbraw/zinc/68/29/42/892682942.db2.gz PMJYNRGCZUZEJM-WDEREUQCSA-N 2 2 285.348 -1.024 20 0 CAADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)c[nH+]1 ZINC001482740519 892683028 /nfs/dbraw/zinc/68/30/28/892683028.db2.gz AZPYBPOLVNVXJC-JTQLQIEISA-N 2 2 297.359 -1.521 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001482750251 892686110 /nfs/dbraw/zinc/68/61/10/892686110.db2.gz NQXDKKWOAXESBQ-NSHDSACASA-N 2 2 294.315 -1.159 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001482753209 892688986 /nfs/dbraw/zinc/68/89/86/892688986.db2.gz IMNUZFLCAAZXSL-QWRGUYRKSA-N 2 2 270.333 -1.279 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001482764616 892691817 /nfs/dbraw/zinc/69/18/17/892691817.db2.gz VGNYMSGBLOHYQI-JTQLQIEISA-N 2 2 285.348 -1.104 20 0 CAADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001482764617 892692179 /nfs/dbraw/zinc/69/21/79/892692179.db2.gz VGNYMSGBLOHYQI-SNVBAGLBSA-N 2 2 285.348 -1.104 20 0 CAADLP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482772689 892695493 /nfs/dbraw/zinc/69/54/93/892695493.db2.gz IMEVJJXQQGXKFG-NSHDSACASA-N 2 2 293.331 -1.652 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001482771789 892696046 /nfs/dbraw/zinc/69/60/46/892696046.db2.gz LXTLOZHZHXHQTI-NSHDSACASA-N 2 2 293.331 -1.689 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482785442 892701646 /nfs/dbraw/zinc/70/16/46/892701646.db2.gz JBVAOLCTGZWBHS-SECBINFHSA-N 2 2 269.305 -2.485 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001482788993 892704621 /nfs/dbraw/zinc/70/46/21/892704621.db2.gz RMWGZTMUQUAKRP-RKDXNWHRSA-N 2 2 283.332 -1.799 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001482788986 892705196 /nfs/dbraw/zinc/70/51/96/892705196.db2.gz RMWGZTMUQUAKRP-BDAKNGLRSA-N 2 2 283.332 -1.799 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001482788991 892706089 /nfs/dbraw/zinc/70/60/89/892706089.db2.gz RMWGZTMUQUAKRP-IUCAKERBSA-N 2 2 283.332 -1.799 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483178571 892740880 /nfs/dbraw/zinc/74/08/80/892740880.db2.gz DMOPRBNKQKLXBM-MRVPVSSYSA-N 2 2 296.331 -1.498 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483217915 892743241 /nfs/dbraw/zinc/74/32/41/892743241.db2.gz YQYWWYVRZDPCFC-UWVGGRQHSA-N 2 2 272.349 -1.843 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483217915 892743246 /nfs/dbraw/zinc/74/32/46/892743246.db2.gz YQYWWYVRZDPCFC-UWVGGRQHSA-N 2 2 272.349 -1.843 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483217921 892743977 /nfs/dbraw/zinc/74/39/77/892743977.db2.gz YQYWWYVRZDPCFC-VHSXEESVSA-N 2 2 272.349 -1.843 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483217921 892743986 /nfs/dbraw/zinc/74/39/86/892743986.db2.gz YQYWWYVRZDPCFC-VHSXEESVSA-N 2 2 272.349 -1.843 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001483596268 892769842 /nfs/dbraw/zinc/76/98/42/892769842.db2.gz KNOCOBRUWIUGQL-SECBINFHSA-N 2 2 265.317 -1.078 20 0 CAADLP NC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001483596269 892770952 /nfs/dbraw/zinc/77/09/52/892770952.db2.gz KNOCOBRUWIUGQL-VIFPVBQESA-N 2 2 265.317 -1.078 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001484232119 892814828 /nfs/dbraw/zinc/81/48/28/892814828.db2.gz SVDSWYRTBZMXMK-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001484232119 892814847 /nfs/dbraw/zinc/81/48/47/892814847.db2.gz SVDSWYRTBZMXMK-CYBMUJFWSA-N 2 2 282.344 -1.182 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484273581 892836128 /nfs/dbraw/zinc/83/61/28/892836128.db2.gz IRVVWOKZOOVODG-DGCLKSJQSA-N 2 2 297.399 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484273580 892837102 /nfs/dbraw/zinc/83/71/02/892837102.db2.gz IRVVWOKZOOVODG-AAEUAGOBSA-N 2 2 297.399 -1.128 20 0 CAADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001484302411 892849176 /nfs/dbraw/zinc/84/91/76/892849176.db2.gz HTEKRGXHLWMYKJ-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001484302411 892849195 /nfs/dbraw/zinc/84/91/95/892849195.db2.gz HTEKRGXHLWMYKJ-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001484495518 892872188 /nfs/dbraw/zinc/87/21/88/892872188.db2.gz OOJCZZRAKXECIL-LLVKDONJSA-N 2 2 295.343 -1.749 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+]CCO ZINC001484499671 892873005 /nfs/dbraw/zinc/87/30/05/892873005.db2.gz GHOOLHWIXNUFJJ-UHFFFAOYSA-N 2 2 270.333 -1.337 20 0 CAADLP C[NH+](C)CCC(=O)NC1(CO)CC[NH+](CC(N)=O)CC1 ZINC001485023548 892901687 /nfs/dbraw/zinc/90/16/87/892901687.db2.gz BCINAWPQHPDODP-UHFFFAOYSA-N 2 2 286.376 -1.634 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001485626075 892939681 /nfs/dbraw/zinc/93/96/81/892939681.db2.gz FCSJJOFWLANYAL-CNDDSTCGSA-N 2 2 291.355 -1.029 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001485626075 892939688 /nfs/dbraw/zinc/93/96/88/892939688.db2.gz FCSJJOFWLANYAL-CNDDSTCGSA-N 2 2 291.355 -1.029 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001485979174 892964911 /nfs/dbraw/zinc/96/49/11/892964911.db2.gz HZNDSMFNSRRAOD-NEPJUHHUSA-N 2 2 298.387 -1.620 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001485979174 892964920 /nfs/dbraw/zinc/96/49/20/892964920.db2.gz HZNDSMFNSRRAOD-NEPJUHHUSA-N 2 2 298.387 -1.620 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001486010697 892981852 /nfs/dbraw/zinc/98/18/52/892981852.db2.gz MOMKOVLYNDPJTE-NEPJUHHUSA-N 2 2 296.371 -1.105 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)no1 ZINC001486010444 892981930 /nfs/dbraw/zinc/98/19/30/892981930.db2.gz JNPSCBNEINSZJY-QMMMGPOBSA-N 2 2 299.331 -2.098 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)no1 ZINC001486010443 892982436 /nfs/dbraw/zinc/98/24/36/892982436.db2.gz JNPSCBNEINSZJY-MRVPVSSYSA-N 2 2 299.331 -2.098 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486011060 892983277 /nfs/dbraw/zinc/98/32/77/892983277.db2.gz PPZQTAPVYRTSGM-MNOVXSKESA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001486010699 892984330 /nfs/dbraw/zinc/98/43/30/892984330.db2.gz MOMKOVLYNDPJTE-NWDGAFQWSA-N 2 2 296.371 -1.105 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001486019436 892985973 /nfs/dbraw/zinc/98/59/73/892985973.db2.gz NFDYMQQQIUCANU-JTQLQIEISA-N 2 2 297.359 -1.835 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C[C@H](C)O ZINC001486055087 893001090 /nfs/dbraw/zinc/00/10/90/893001090.db2.gz CCXCZGHPLMUDFL-WCBMZHEXSA-N 2 2 270.333 -1.292 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001486055088 893005512 /nfs/dbraw/zinc/00/55/12/893005512.db2.gz CCXCZGHPLMUDFL-WPRPVWTQSA-N 2 2 270.333 -1.292 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001486061305 893006078 /nfs/dbraw/zinc/00/60/78/893006078.db2.gz KXTPEFYFWVESLY-CMPLNLGQSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001486061305 893006096 /nfs/dbraw/zinc/00/60/96/893006096.db2.gz KXTPEFYFWVESLY-CMPLNLGQSA-N 2 2 296.375 -1.667 20 0 CAADLP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001486066660 893006252 /nfs/dbraw/zinc/00/62/52/893006252.db2.gz UNAQMDXBTMBMHP-NSHDSACASA-N 2 2 297.359 -1.526 20 0 CAADLP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486065116 893010131 /nfs/dbraw/zinc/01/01/31/893010131.db2.gz FMVWLWSTHNNTRP-NXEZZACHSA-N 2 2 283.332 -1.786 20 0 CAADLP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486065117 893011605 /nfs/dbraw/zinc/01/16/05/893011605.db2.gz FMVWLWSTHNNTRP-UWVGGRQHSA-N 2 2 283.332 -1.786 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001486289512 893041060 /nfs/dbraw/zinc/04/10/60/893041060.db2.gz BZHCZURBSKXIFD-JTQLQIEISA-N 2 2 297.359 -1.753 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001486307224 893046944 /nfs/dbraw/zinc/04/69/44/893046944.db2.gz OLNCTVZBIKIGGE-NXEZZACHSA-N 2 2 297.359 -1.375 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001486307225 893048422 /nfs/dbraw/zinc/04/84/22/893048422.db2.gz OLNCTVZBIKIGGE-UWVGGRQHSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486320555 893050900 /nfs/dbraw/zinc/05/09/00/893050900.db2.gz VCTAHKZONQLYLP-VHSXEESVSA-N 2 2 283.332 -1.834 20 0 CAADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001486349592 893056157 /nfs/dbraw/zinc/05/61/57/893056157.db2.gz GBNULFKEOKAIDJ-LLVKDONJSA-N 2 2 270.333 -1.304 20 0 CAADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001486349592 893056178 /nfs/dbraw/zinc/05/61/78/893056178.db2.gz GBNULFKEOKAIDJ-LLVKDONJSA-N 2 2 270.333 -1.304 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001486343678 893060291 /nfs/dbraw/zinc/06/02/91/893060291.db2.gz OVEYVHPAOZSZMA-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001486343678 893060313 /nfs/dbraw/zinc/06/03/13/893060313.db2.gz OVEYVHPAOZSZMA-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(N)=O ZINC001490319452 893203127 /nfs/dbraw/zinc/20/31/27/893203127.db2.gz ZKBPKRUQGXSSKH-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(N)=O ZINC001490319452 893203142 /nfs/dbraw/zinc/20/31/42/893203142.db2.gz ZKBPKRUQGXSSKH-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001490319452 893203159 /nfs/dbraw/zinc/20/31/59/893203159.db2.gz ZKBPKRUQGXSSKH-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001490319452 893203173 /nfs/dbraw/zinc/20/31/73/893203173.db2.gz ZKBPKRUQGXSSKH-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP NC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490743401 893220162 /nfs/dbraw/zinc/22/01/62/893220162.db2.gz ARDAVSVQYCYELW-JTQLQIEISA-N 2 2 265.317 -1.147 20 0 CAADLP NC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001490721886 893220479 /nfs/dbraw/zinc/22/04/79/893220479.db2.gz HUQCLPXPBRKXKO-SECBINFHSA-N 2 2 265.317 -1.078 20 0 CAADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001491085106 893239025 /nfs/dbraw/zinc/23/90/25/893239025.db2.gz JABPDBVZKIUFBB-AOOOYVTPSA-N 2 2 265.317 -1.134 20 0 CAADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001491543665 893288680 /nfs/dbraw/zinc/28/86/80/893288680.db2.gz SWXAILFIEMFKFM-VIFPVBQESA-N 2 2 296.331 -1.438 20 0 CAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001491590120 893297654 /nfs/dbraw/zinc/29/76/54/893297654.db2.gz MGSILTYUSVBJMQ-JGVFFNPUSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC(N)=O ZINC001491636260 893301209 /nfs/dbraw/zinc/30/12/09/893301209.db2.gz DKZPHWXAFQYYIS-MRVPVSSYSA-N 2 2 296.331 -1.748 20 0 CAADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492220191 893334056 /nfs/dbraw/zinc/33/40/56/893334056.db2.gz FOKDWXPAFJQTSO-NXEZZACHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492220191 893334072 /nfs/dbraw/zinc/33/40/72/893334072.db2.gz FOKDWXPAFJQTSO-NXEZZACHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492220191 893334091 /nfs/dbraw/zinc/33/40/91/893334091.db2.gz FOKDWXPAFJQTSO-NXEZZACHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492220191 893334115 /nfs/dbraw/zinc/33/41/15/893334115.db2.gz FOKDWXPAFJQTSO-NXEZZACHSA-N 2 2 272.349 -1.761 20 0 CAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949437 893365634 /nfs/dbraw/zinc/36/56/34/893365634.db2.gz PZZSOWRWNWITPB-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949437 893365651 /nfs/dbraw/zinc/36/56/51/893365651.db2.gz PZZSOWRWNWITPB-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949437 893365672 /nfs/dbraw/zinc/36/56/72/893365672.db2.gz PZZSOWRWNWITPB-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949437 893365692 /nfs/dbraw/zinc/36/56/92/893365692.db2.gz PZZSOWRWNWITPB-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949436 893369922 /nfs/dbraw/zinc/36/99/22/893369922.db2.gz PZZSOWRWNWITPB-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949436 893369944 /nfs/dbraw/zinc/36/99/44/893369944.db2.gz PZZSOWRWNWITPB-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949436 893369965 /nfs/dbraw/zinc/36/99/65/893369965.db2.gz PZZSOWRWNWITPB-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)C(N)=O ZINC001492949436 893369983 /nfs/dbraw/zinc/36/99/83/893369983.db2.gz PZZSOWRWNWITPB-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)C(N)=O ZINC001492949433 893370357 /nfs/dbraw/zinc/37/03/57/893370357.db2.gz PZZSOWRWNWITPB-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H](C)C(N)=O ZINC001492949433 893370374 /nfs/dbraw/zinc/37/03/74/893370374.db2.gz PZZSOWRWNWITPB-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)C(N)=O ZINC001492949433 893370388 /nfs/dbraw/zinc/37/03/88/893370388.db2.gz PZZSOWRWNWITPB-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C)C(N)=O ZINC001492949433 893370404 /nfs/dbraw/zinc/37/04/04/893370404.db2.gz PZZSOWRWNWITPB-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001495062965 893473500 /nfs/dbraw/zinc/47/35/00/893473500.db2.gz FQTDWVGPRMFJHX-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961070 893564773 /nfs/dbraw/zinc/56/47/73/893564773.db2.gz MFNXZHDUKASNSO-NEPJUHHUSA-N 2 2 298.343 -1.428 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961070 893564793 /nfs/dbraw/zinc/56/47/93/893564793.db2.gz MFNXZHDUKASNSO-NEPJUHHUSA-N 2 2 298.343 -1.428 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001496990214 893571036 /nfs/dbraw/zinc/57/10/36/893571036.db2.gz KSFISYITEBIKGB-WPRPVWTQSA-N 2 2 283.332 -1.717 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001496990214 893571051 /nfs/dbraw/zinc/57/10/51/893571051.db2.gz KSFISYITEBIKGB-WPRPVWTQSA-N 2 2 283.332 -1.717 20 0 CAADLP COc1cc[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CCO ZINC001497002117 893575540 /nfs/dbraw/zinc/57/55/40/893575540.db2.gz JZTLSWSMLKONLL-LLVKDONJSA-N 2 2 283.328 -1.308 20 0 CAADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001497002118 893576625 /nfs/dbraw/zinc/57/66/25/893576625.db2.gz JZTLSWSMLKONLL-NSHDSACASA-N 2 2 283.328 -1.308 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497009959 893582802 /nfs/dbraw/zinc/58/28/02/893582802.db2.gz JMCKSLOQIYJYPD-KOLCDFICSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001497027389 893587059 /nfs/dbraw/zinc/58/70/59/893587059.db2.gz DUROEBPVZPYSPQ-MNOVXSKESA-N 2 2 297.359 -1.526 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497064908 893599649 /nfs/dbraw/zinc/59/96/49/893599649.db2.gz RKUPCJSFIFMYBK-NSHDSACASA-N 2 2 295.343 -1.749 20 0 CAADLP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497082031 893600721 /nfs/dbraw/zinc/60/07/21/893600721.db2.gz VJNIHIQOSFTVAT-UWVGGRQHSA-N 2 2 295.343 -1.750 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001497079340 893601727 /nfs/dbraw/zinc/60/17/27/893601727.db2.gz BVTFRYHWRFMRLL-NSHDSACASA-N 2 2 292.343 -1.084 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001497079335 893601841 /nfs/dbraw/zinc/60/18/41/893601841.db2.gz BVTFRYHWRFMRLL-LLVKDONJSA-N 2 2 292.343 -1.084 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CCO ZINC001497091035 893602164 /nfs/dbraw/zinc/60/21/64/893602164.db2.gz DGOQFGQEUXMWGA-SNVBAGLBSA-N 2 2 256.306 -1.978 20 0 CAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497080599 893602523 /nfs/dbraw/zinc/60/25/23/893602523.db2.gz NHEUDDDHRATWQX-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497082033 893602549 /nfs/dbraw/zinc/60/25/49/893602549.db2.gz VJNIHIQOSFTVAT-ZJUUUORDSA-N 2 2 295.343 -1.750 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497082039 893602678 /nfs/dbraw/zinc/60/26/78/893602678.db2.gz VMRCGDAJSQNIBY-SNVBAGLBSA-N 2 2 295.343 -1.749 20 0 CAADLP COCC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001497092839 893604172 /nfs/dbraw/zinc/60/41/72/893604172.db2.gz VEPRRONHKXFHNB-NSHDSACASA-N 2 2 270.333 -1.324 20 0 CAADLP COCC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001497092824 893605066 /nfs/dbraw/zinc/60/50/66/893605066.db2.gz VEPRRONHKXFHNB-LLVKDONJSA-N 2 2 270.333 -1.324 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001497103413 893605484 /nfs/dbraw/zinc/60/54/84/893605484.db2.gz COYYMDIQFGUEFU-MWLCHTKSSA-N 2 2 297.359 -1.707 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001497103414 893605915 /nfs/dbraw/zinc/60/59/15/893605915.db2.gz COYYMDIQFGUEFU-ONGXEEELSA-N 2 2 297.359 -1.707 20 0 CAADLP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001497126977 893607656 /nfs/dbraw/zinc/60/76/56/893607656.db2.gz PVSILQCTIHHRFT-GFCCVEGCSA-N 2 2 292.343 -1.117 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001497127477 893608341 /nfs/dbraw/zinc/60/83/41/893608341.db2.gz VFGSKRSJDAVLDZ-GHMZBOCLSA-N 2 2 297.359 -1.574 20 0 CAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497126302 893608533 /nfs/dbraw/zinc/60/85/33/893608533.db2.gz LTJJSHTVVVSVHW-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001497127486 893608891 /nfs/dbraw/zinc/60/88/91/893608891.db2.gz VFGSKRSJDAVLDZ-QWRGUYRKSA-N 2 2 297.359 -1.574 20 0 CAADLP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497128440 893609192 /nfs/dbraw/zinc/60/91/92/893609192.db2.gz ZWUQSCNQCLVEQR-WDEREUQCSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001497126704 893609208 /nfs/dbraw/zinc/60/92/08/893609208.db2.gz OVKDBZHOEVCBAC-BDAKNGLRSA-N 2 2 269.305 -2.176 20 0 CAADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001497304381 893616274 /nfs/dbraw/zinc/61/62/74/893616274.db2.gz NWCAEGDLEGTUSR-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001497506133 893621020 /nfs/dbraw/zinc/62/10/20/893621020.db2.gz HVPCKHJEDWBIBS-UHFFFAOYSA-N 2 2 296.331 -1.484 20 0 CAADLP CNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001497732729 893630982 /nfs/dbraw/zinc/63/09/82/893630982.db2.gz SVBSWEPLPAVWQC-ARJAWSKDSA-N 2 2 279.344 -1.029 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498025418 893649647 /nfs/dbraw/zinc/64/96/47/893649647.db2.gz GBEBXLMSSOGFPH-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498025418 893649649 /nfs/dbraw/zinc/64/96/49/893649649.db2.gz GBEBXLMSSOGFPH-QWRGUYRKSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498025588 893649851 /nfs/dbraw/zinc/64/98/51/893649851.db2.gz MEFOSAPECHEDQT-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498025588 893649852 /nfs/dbraw/zinc/64/98/52/893649852.db2.gz MEFOSAPECHEDQT-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001498401078 893679473 /nfs/dbraw/zinc/67/94/73/893679473.db2.gz WASZYBOBHKTGNT-SNVBAGLBSA-N 2 2 298.391 -1.003 20 0 CAADLP C[C@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001498401078 893679478 /nfs/dbraw/zinc/67/94/78/893679478.db2.gz WASZYBOBHKTGNT-SNVBAGLBSA-N 2 2 298.391 -1.003 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001500692726 893747075 /nfs/dbraw/zinc/74/70/75/893747075.db2.gz LCNNQIRUIHVYKE-BXUZGUMPSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001500692726 893747083 /nfs/dbraw/zinc/74/70/83/893747083.db2.gz LCNNQIRUIHVYKE-BXUZGUMPSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001500692726 893747095 /nfs/dbraw/zinc/74/70/95/893747095.db2.gz LCNNQIRUIHVYKE-BXUZGUMPSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001500692726 893747106 /nfs/dbraw/zinc/74/71/06/893747106.db2.gz LCNNQIRUIHVYKE-BXUZGUMPSA-N 2 2 298.387 -1.491 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001502079441 893841730 /nfs/dbraw/zinc/84/17/30/893841730.db2.gz QFBYVINUHXYPTA-SNVBAGLBSA-N 2 2 281.316 -1.746 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001507183971 893977578 /nfs/dbraw/zinc/97/75/78/893977578.db2.gz VXQMLRSCTZPPIS-VHSXEESVSA-N 2 2 263.313 -1.647 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C1 ZINC001507183971 893977593 /nfs/dbraw/zinc/97/75/93/893977593.db2.gz VXQMLRSCTZPPIS-VHSXEESVSA-N 2 2 263.313 -1.647 20 0 CAADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507219741 894001852 /nfs/dbraw/zinc/00/18/52/894001852.db2.gz FXQBGLZWQIIDET-GHMZBOCLSA-N 2 2 270.333 -1.279 20 0 CAADLP Cn1ncnc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001507230667 894013374 /nfs/dbraw/zinc/01/33/74/894013374.db2.gz COXISCMUSCKNJF-JTQLQIEISA-N 2 2 284.364 -1.667 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001507258202 894027349 /nfs/dbraw/zinc/02/73/49/894027349.db2.gz YUFBUVZPHSJZGF-QMMMGPOBSA-N 2 2 269.305 -2.187 20 0 CAADLP COCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001507252341 894028505 /nfs/dbraw/zinc/02/85/05/894028505.db2.gz JFFRUOGBXLNKBP-JTQLQIEISA-N 2 2 270.333 -1.324 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001507258198 894030124 /nfs/dbraw/zinc/03/01/24/894030124.db2.gz YUFBUVZPHSJZGF-MRVPVSSYSA-N 2 2 269.305 -2.187 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001507267927 894031426 /nfs/dbraw/zinc/03/14/26/894031426.db2.gz QPQGFTOVEKJGJB-LLVKDONJSA-N 2 2 293.331 -1.759 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507261774 894031915 /nfs/dbraw/zinc/03/19/15/894031915.db2.gz UWBOYDMSJPIKFE-GHMZBOCLSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507261774 894031933 /nfs/dbraw/zinc/03/19/33/894031933.db2.gz UWBOYDMSJPIKFE-GHMZBOCLSA-N 2 2 296.375 -1.667 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001507266972 894033713 /nfs/dbraw/zinc/03/37/13/894033713.db2.gz JWCNQXRIUWFCBG-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001507266969 894034827 /nfs/dbraw/zinc/03/48/27/894034827.db2.gz JWCNQXRIUWFCBG-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001507483533 894053045 /nfs/dbraw/zinc/05/30/45/894053045.db2.gz MENVJEXCZVXSQK-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001507483533 894053059 /nfs/dbraw/zinc/05/30/59/894053059.db2.gz MENVJEXCZVXSQK-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)CCc1[nH+]ccn1C ZINC001507492028 894056669 /nfs/dbraw/zinc/05/66/69/894056669.db2.gz ATLQRKLSPWEFLR-NSHDSACASA-N 2 2 284.360 -1.246 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001507495850 894056837 /nfs/dbraw/zinc/05/68/37/894056837.db2.gz RZWJMNOHLJIICY-SNVBAGLBSA-N 2 2 283.332 -1.833 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001507495849 894058993 /nfs/dbraw/zinc/05/89/93/894058993.db2.gz RZWJMNOHLJIICY-JTQLQIEISA-N 2 2 283.332 -1.833 20 0 CAADLP C[C@H](C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1=O ZINC001515512632 894185457 /nfs/dbraw/zinc/18/54/57/894185457.db2.gz APSRBDHEEJMZCW-SVDPJWKOSA-N 2 2 266.345 -1.517 20 0 CAADLP C[C@H](NC(=O)C[C@H](O)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001521477538 894208908 /nfs/dbraw/zinc/20/89/08/894208908.db2.gz RXQZGVMOMVVANK-DCAQKATOSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@H]([C@H](C)NC(=O)C[C@H](O)C[NH3+])[NH+]1CCOCC1 ZINC001521477535 894209801 /nfs/dbraw/zinc/20/98/01/894209801.db2.gz RXQZGVMOMVVANK-AXFHLTTASA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@H](CNC(=O)[C@H]([NH3+])CO)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521907884 894213710 /nfs/dbraw/zinc/21/37/10/894213710.db2.gz UJSUDEIAKTXIFO-CHWFTXMASA-N 2 2 259.350 -1.080 20 0 CAADLP C[C@H](CNC(=O)[C@H]([NH3+])CO)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521907884 894213727 /nfs/dbraw/zinc/21/37/27/894213727.db2.gz UJSUDEIAKTXIFO-CHWFTXMASA-N 2 2 259.350 -1.080 20 0 CAADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](O)C[NH3+] ZINC001522771735 894250983 /nfs/dbraw/zinc/25/09/83/894250983.db2.gz DHKYIVHSJUTGAA-WDEREUQCSA-N 2 2 259.350 -1.077 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001548547233 894486478 /nfs/dbraw/zinc/48/64/78/894486478.db2.gz FDAWPTWDIYBQOK-GFCCVEGCSA-N 2 2 270.377 -1.319 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@H]1CSCC[NH2+]1 ZINC001548562280 894486501 /nfs/dbraw/zinc/48/65/01/894486501.db2.gz BXHXMPJCFAKADC-JTQLQIEISA-N 2 2 286.401 -1.371 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548554505 894486974 /nfs/dbraw/zinc/48/69/74/894486974.db2.gz VSYMGQCAHGAPFK-NEPJUHHUSA-N 2 2 270.377 -1.273 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548554507 894487143 /nfs/dbraw/zinc/48/71/43/894487143.db2.gz VSYMGQCAHGAPFK-RYUDHWBXSA-N 2 2 270.377 -1.273 20 0 CAADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623703 894489776 /nfs/dbraw/zinc/48/97/76/894489776.db2.gz MOPYJSANZXKPQW-QWHCGFSZSA-N 2 2 282.388 -1.489 20 0 CAADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623703 894489781 /nfs/dbraw/zinc/48/97/81/894489781.db2.gz MOPYJSANZXKPQW-QWHCGFSZSA-N 2 2 282.388 -1.489 20 0 CAADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001548568519 894490092 /nfs/dbraw/zinc/49/00/92/894490092.db2.gz HPWRTNRUZWOCCJ-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548688643 894494802 /nfs/dbraw/zinc/49/48/02/894494802.db2.gz DYLBJGYSAVSHKA-IHRRRGAJSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548688643 894494812 /nfs/dbraw/zinc/49/48/12/894494812.db2.gz DYLBJGYSAVSHKA-IHRRRGAJSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001548716162 894498570 /nfs/dbraw/zinc/49/85/70/894498570.db2.gz IEXHKZVULJROKR-HZSPNIEDSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001548716162 894498582 /nfs/dbraw/zinc/49/85/82/894498582.db2.gz IEXHKZVULJROKR-HZSPNIEDSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001548716162 894498594 /nfs/dbraw/zinc/49/85/94/894498594.db2.gz IEXHKZVULJROKR-HZSPNIEDSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001548716162 894498600 /nfs/dbraw/zinc/49/86/00/894498600.db2.gz IEXHKZVULJROKR-HZSPNIEDSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C[C@H]1CO ZINC001548730985 894499807 /nfs/dbraw/zinc/49/98/07/894499807.db2.gz UBVBOOMILAAXEV-FRRDWIJNSA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)C[C@H]1CO ZINC001548730985 894499813 /nfs/dbraw/zinc/49/98/13/894499813.db2.gz UBVBOOMILAAXEV-FRRDWIJNSA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001548730985 894499817 /nfs/dbraw/zinc/49/98/17/894499817.db2.gz UBVBOOMILAAXEV-FRRDWIJNSA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001548730985 894499825 /nfs/dbraw/zinc/49/98/25/894499825.db2.gz UBVBOOMILAAXEV-FRRDWIJNSA-N 2 2 282.388 -1.490 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550084111 894530643 /nfs/dbraw/zinc/53/06/43/894530643.db2.gz HMZLYYITRBWIQT-LLVKDONJSA-N 2 2 280.372 -1.076 20 0 CAADLP CO[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550192252 894533236 /nfs/dbraw/zinc/53/32/36/894533236.db2.gz FWQWVINTXCIQJC-NWDGAFQWSA-N 2 2 270.377 -1.192 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552086704 894540900 /nfs/dbraw/zinc/54/09/00/894540900.db2.gz JIKKFQBQKURMIS-MNOVXSKESA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552086704 894540911 /nfs/dbraw/zinc/54/09/11/894540911.db2.gz JIKKFQBQKURMIS-MNOVXSKESA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552086697 894541787 /nfs/dbraw/zinc/54/17/87/894541787.db2.gz JIKKFQBQKURMIS-GHMZBOCLSA-N 2 2 294.359 -1.127 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC001552086697 894541799 /nfs/dbraw/zinc/54/17/99/894541799.db2.gz JIKKFQBQKURMIS-GHMZBOCLSA-N 2 2 294.359 -1.127 20 0 CAADLP O=C(N1CC[NH+](CCO)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202127 894548462 /nfs/dbraw/zinc/54/84/62/894548462.db2.gz ABKKKENQFRWWOI-WCQYABFASA-N 2 2 269.345 -1.641 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203599 894550398 /nfs/dbraw/zinc/55/03/98/894550398.db2.gz GRMTVMDSDLJZFO-WZRBSPASSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552203599 894550406 /nfs/dbraw/zinc/55/04/06/894550406.db2.gz GRMTVMDSDLJZFO-WZRBSPASSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@@H+]1CC[C@@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@H]2C1 ZINC001553365957 894559002 /nfs/dbraw/zinc/55/90/02/894559002.db2.gz NUGDAYSGSFOPOR-OIBJUYFYSA-N 2 2 251.294 -1.321 20 0 CAADLP C[N@H+]1CC[C@@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@H]2C1 ZINC001553365957 894559015 /nfs/dbraw/zinc/55/90/15/894559015.db2.gz NUGDAYSGSFOPOR-OIBJUYFYSA-N 2 2 251.294 -1.321 20 0 CAADLP C[N@@H+]1CC[C@@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@@H]2C1 ZINC001553365956 894560588 /nfs/dbraw/zinc/56/05/88/894560588.db2.gz NUGDAYSGSFOPOR-GMSGAONNSA-N 2 2 251.294 -1.321 20 0 CAADLP C[N@H+]1CC[C@@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@@H]2C1 ZINC001553365956 894560592 /nfs/dbraw/zinc/56/05/92/894560592.db2.gz NUGDAYSGSFOPOR-GMSGAONNSA-N 2 2 251.294 -1.321 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553344751 894561815 /nfs/dbraw/zinc/56/18/15/894561815.db2.gz QZROTJKCLDAUKQ-WDEREUQCSA-N 2 2 257.334 -1.059 20 0 CAADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000113516013 230169548 /nfs/dbraw/zinc/16/95/48/230169548.db2.gz HFCUZCYOPOWSDC-LLVKDONJSA-N 2 2 268.361 -1.172 20 0 CAADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000113516013 230169555 /nfs/dbraw/zinc/16/95/55/230169555.db2.gz HFCUZCYOPOWSDC-LLVKDONJSA-N 2 2 268.361 -1.172 20 0 CAADLP O=C(CNC(=O)[C@@H]1CSC[NH2+]1)N1CC[NH2+]CC1 ZINC000082655410 178143442 /nfs/dbraw/zinc/14/34/42/178143442.db2.gz ZUTAMEAXGKJCET-QMMMGPOBSA-N 2 2 258.347 -1.803 20 0 CAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250829908 230218720 /nfs/dbraw/zinc/21/87/20/230218720.db2.gz IRVDPOKSJPMXHD-UWVGGRQHSA-N 2 2 254.334 -1.114 20 0 CAADLP NC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250829908 230218728 /nfs/dbraw/zinc/21/87/28/230218728.db2.gz IRVDPOKSJPMXHD-UWVGGRQHSA-N 2 2 254.334 -1.114 20 0 CAADLP C[C@@H](C[NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000262316416 230226139 /nfs/dbraw/zinc/22/61/39/230226139.db2.gz DLIMLMOWYFDMOZ-JTQLQIEISA-N 2 2 272.349 -1.854 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423059454 230266082 /nfs/dbraw/zinc/26/60/82/230266082.db2.gz LSRDQOGSYOCTEF-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[C@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430731764 230307711 /nfs/dbraw/zinc/30/77/11/230307711.db2.gz XSEWUCTYVIITML-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000430731764 230307716 /nfs/dbraw/zinc/30/77/16/230307716.db2.gz XSEWUCTYVIITML-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000430924230 230310226 /nfs/dbraw/zinc/31/02/26/230310226.db2.gz IKBZKEVWFCEAHT-SNVBAGLBSA-N 2 2 287.389 -1.021 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000430924230 230310231 /nfs/dbraw/zinc/31/02/31/230310231.db2.gz IKBZKEVWFCEAHT-SNVBAGLBSA-N 2 2 287.389 -1.021 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430884463 230310928 /nfs/dbraw/zinc/31/09/28/230310928.db2.gz XAGCVLKZOYXKAC-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430884463 230310935 /nfs/dbraw/zinc/31/09/35/230310935.db2.gz XAGCVLKZOYXKAC-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000432518423 230313973 /nfs/dbraw/zinc/31/39/73/230313973.db2.gz JWEQMGPSEHGTCE-RVMXOQNASA-N 2 2 283.372 -1.112 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235900 230320046 /nfs/dbraw/zinc/32/00/46/230320046.db2.gz GUIRKVHOLHWJJG-NSHDSACASA-N 2 2 266.345 -1.229 20 0 CAADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756946 230330248 /nfs/dbraw/zinc/33/02/48/230330248.db2.gz LFLOWPLYIGAKJY-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756946 230330251 /nfs/dbraw/zinc/33/02/51/230330251.db2.gz LFLOWPLYIGAKJY-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP CC[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431060937 529441901 /nfs/dbraw/zinc/44/19/01/529441901.db2.gz HSDYLZOKCGJWEG-JTQLQIEISA-N 2 2 272.349 -1.712 20 0 CAADLP CN(C)c1[nH+]cc(CNC(=O)CN2CC[NH2+]CC2=O)n1C ZINC000430720166 529808602 /nfs/dbraw/zinc/80/86/02/529808602.db2.gz LZKYRHYAMSKHNU-UHFFFAOYSA-N 2 2 294.359 -1.466 20 0 CAADLP CNc1nc(NCC[NH+](C)C)nc(NCC[NH+](C)C)[nH+]1 ZINC000358468649 529833412 /nfs/dbraw/zinc/83/34/12/529833412.db2.gz INJVIPRSSWZDAG-UHFFFAOYSA-N 3 2 282.396 -1.874 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792186 529886008 /nfs/dbraw/zinc/88/60/08/529886008.db2.gz LFDXMQCTWJRKMZ-FNFFVJSTSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792186 529886009 /nfs/dbraw/zinc/88/60/09/529886009.db2.gz LFDXMQCTWJRKMZ-FNFFVJSTSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000352792186 529886010 /nfs/dbraw/zinc/88/60/10/529886010.db2.gz LFDXMQCTWJRKMZ-FNFFVJSTSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@H]1COC[C@H]1O ZINC000352792186 529886012 /nfs/dbraw/zinc/88/60/12/529886012.db2.gz LFDXMQCTWJRKMZ-FNFFVJSTSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH2+]CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803575 529956328 /nfs/dbraw/zinc/95/63/28/529956328.db2.gz CLEUOGDNKOFNJV-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[NH2+]CCC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000423748610 529959231 /nfs/dbraw/zinc/95/92/31/529959231.db2.gz ASGSSYWCQTYHJH-UHFFFAOYSA-N 2 2 287.360 -1.070 20 0 CAADLP C[NH2+]CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262350409 529959506 /nfs/dbraw/zinc/95/95/06/529959506.db2.gz IYXNFHHYWGKTLR-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH2+]CCCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431068209 529961741 /nfs/dbraw/zinc/96/17/41/529961741.db2.gz YKTUJTUSTXFPOK-UHFFFAOYSA-N 2 2 286.376 -1.449 20 0 CAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000423075006 529972215 /nfs/dbraw/zinc/97/22/15/529972215.db2.gz WAUMZMHTBHUGDG-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431064396 529980109 /nfs/dbraw/zinc/98/01/09/529980109.db2.gz IZRLBMGEYVBFOO-LLVKDONJSA-N 2 2 286.376 -1.594 20 0 CAADLP C[NH2+]C[C@H](C)CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000420192010 529993958 /nfs/dbraw/zinc/99/39/58/529993958.db2.gz HYPJLIOTXNVTPD-JTQLQIEISA-N 2 2 297.407 -1.371 20 0 CAADLP C[NH2+]C[C@H](C)CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000420192010 529993959 /nfs/dbraw/zinc/99/39/59/529993959.db2.gz HYPJLIOTXNVTPD-JTQLQIEISA-N 2 2 297.407 -1.371 20 0 CAADLP C[NH2+]C[C@H](C)CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000420192010 529993960 /nfs/dbraw/zinc/99/39/60/529993960.db2.gz HYPJLIOTXNVTPD-JTQLQIEISA-N 2 2 297.407 -1.371 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423646415 530066263 /nfs/dbraw/zinc/06/62/63/530066263.db2.gz PLUKVPQTJKVWSH-SNVBAGLBSA-N 2 2 254.334 -1.290 20 0 CAADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431040457 530057269 /nfs/dbraw/zinc/05/72/69/530057269.db2.gz MLXNDAXQVRWHPF-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431040457 530057270 /nfs/dbraw/zinc/05/72/70/530057270.db2.gz MLXNDAXQVRWHPF-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431040456 530063034 /nfs/dbraw/zinc/06/30/34/530063034.db2.gz MLXNDAXQVRWHPF-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431040456 530063035 /nfs/dbraw/zinc/06/30/35/530063035.db2.gz MLXNDAXQVRWHPF-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCN2CCOC2=O)[C@H](C[NH3+])C1 ZINC000496229448 530067489 /nfs/dbraw/zinc/06/74/89/530067489.db2.gz SRWOUXUZQSUAIX-SNVBAGLBSA-N 2 2 270.333 -1.070 20 0 CAADLP C[N@H+]1CCN(C(=O)CCN2CCOC2=O)[C@H](C[NH3+])C1 ZINC000496229448 530067490 /nfs/dbraw/zinc/06/74/90/530067490.db2.gz SRWOUXUZQSUAIX-SNVBAGLBSA-N 2 2 270.333 -1.070 20 0 CAADLP C[NH+]1CCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000049773796 530068016 /nfs/dbraw/zinc/06/80/16/530068016.db2.gz NIYBUKLCWUIWJF-UHFFFAOYSA-N 2 2 270.377 -1.630 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000093170808 530068045 /nfs/dbraw/zinc/06/80/45/530068045.db2.gz DAKMELZKGXSQGT-UHFFFAOYSA-N 2 2 283.376 -1.153 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000093170808 530068046 /nfs/dbraw/zinc/06/80/46/530068046.db2.gz DAKMELZKGXSQGT-UHFFFAOYSA-N 2 2 283.376 -1.153 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000336811900 530068103 /nfs/dbraw/zinc/06/81/03/530068103.db2.gz PAHBLQOLUZBIMZ-LBPRGKRZSA-N 2 2 270.333 -2.318 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000336811900 530068104 /nfs/dbraw/zinc/06/81/04/530068104.db2.gz PAHBLQOLUZBIMZ-LBPRGKRZSA-N 2 2 270.333 -2.318 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000124758623 530068180 /nfs/dbraw/zinc/06/81/80/530068180.db2.gz JCFOKEXGXSFBEJ-UHFFFAOYSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000447902418 530068313 /nfs/dbraw/zinc/06/83/13/530068313.db2.gz FCQNXFLWRPQWHU-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447902416 530068342 /nfs/dbraw/zinc/06/83/42/530068342.db2.gz FCQNXFLWRPQWHU-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431014999 530070482 /nfs/dbraw/zinc/07/04/82/530070482.db2.gz QWQKKPFBDQERPF-NSHDSACASA-N 2 2 283.376 -2.220 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431014999 530070483 /nfs/dbraw/zinc/07/04/83/530070483.db2.gz QWQKKPFBDQERPF-NSHDSACASA-N 2 2 283.376 -2.220 20 0 CAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH3+])CC1 ZINC000347624487 282849522 /nfs/dbraw/zinc/84/95/22/282849522.db2.gz NIWBYOCQBHMFBA-UHFFFAOYSA-N 2 2 275.316 -1.029 20 0 CAADLP C[NH+]1CCN(CC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000674774455 545598933 /nfs/dbraw/zinc/59/89/33/545598933.db2.gz CCITURUXXLJQOJ-UHFFFAOYSA-N 2 2 270.377 -1.630 20 0 CAADLP C[NH+]1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000352197570 283019998 /nfs/dbraw/zinc/01/99/98/283019998.db2.gz UXWDPRZWJNFBCB-SRVKXCTJSA-N 2 2 269.345 -1.142 20 0 CAADLP C[NH+]1CCO[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000352197570 283020004 /nfs/dbraw/zinc/02/00/04/283020004.db2.gz UXWDPRZWJNFBCB-SRVKXCTJSA-N 2 2 269.345 -1.142 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000352197570 283020007 /nfs/dbraw/zinc/02/00/07/283020007.db2.gz UXWDPRZWJNFBCB-SRVKXCTJSA-N 2 2 269.345 -1.142 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000352197570 283020012 /nfs/dbraw/zinc/02/00/12/283020012.db2.gz UXWDPRZWJNFBCB-SRVKXCTJSA-N 2 2 269.345 -1.142 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000246173241 283021169 /nfs/dbraw/zinc/02/11/69/283021169.db2.gz ZZQDWILAJCDZRJ-RYUDHWBXSA-N 2 2 268.361 -1.567 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000246173241 283021170 /nfs/dbraw/zinc/02/11/70/283021170.db2.gz ZZQDWILAJCDZRJ-RYUDHWBXSA-N 2 2 268.361 -1.567 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)COC1C[NH2+]C1 ZINC000573959108 334980581 /nfs/dbraw/zinc/98/05/81/334980581.db2.gz QPIVUPIJHXYOOV-UHFFFAOYSA-N 2 2 257.334 -1.235 20 0 CAADLP C[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262517390 295897160 /nfs/dbraw/zinc/89/71/60/295897160.db2.gz GYSLWADKSMGJFG-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000424188706 283086780 /nfs/dbraw/zinc/08/67/80/283086780.db2.gz YUCZKXJMGBXUOA-UTUOFQBUSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000424188706 283086782 /nfs/dbraw/zinc/08/67/82/283086782.db2.gz YUCZKXJMGBXUOA-UTUOFQBUSA-N 2 2 269.345 -1.094 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C)C[NH3+] ZINC000423762024 291078509 /nfs/dbraw/zinc/07/85/09/291078509.db2.gz RUMFMUXPSACMCY-NSHDSACASA-N 2 2 287.360 -1.085 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C)C[NH3+] ZINC000423762023 291078828 /nfs/dbraw/zinc/07/88/28/291078828.db2.gz RUMFMUXPSACMCY-LLVKDONJSA-N 2 2 287.360 -1.085 20 0 CAADLP C[NH+]1CCN(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000676623879 545603784 /nfs/dbraw/zinc/60/37/84/545603784.db2.gz PIWFBGFKHPXLFD-ZDUSSCGKSA-N 2 2 281.404 -1.650 20 0 CAADLP CNC(=O)C[NH+](C)CCOCC[N@@H+](C)CC(=O)NC ZINC000343590189 283313121 /nfs/dbraw/zinc/31/31/21/283313121.db2.gz OHMGJTHPTPQBMI-UHFFFAOYSA-N 2 2 274.365 -1.641 20 0 CAADLP CNC(=O)C[NH+](C)CCOCC[N@H+](C)CC(=O)NC ZINC000343590189 283313122 /nfs/dbraw/zinc/31/31/22/283313122.db2.gz OHMGJTHPTPQBMI-UHFFFAOYSA-N 2 2 274.365 -1.641 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]C1 ZINC000574275455 335005966 /nfs/dbraw/zinc/00/59/66/335005966.db2.gz FUNARFSLUGLMDX-GHMZBOCLSA-N 2 2 268.361 -1.078 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)CN1CCOCC1)C1CC1 ZINC000583934840 372764673 /nfs/dbraw/zinc/76/46/73/372764673.db2.gz XYYOPZWGHAIUKY-GXTWGEPZSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)CN1CCOCC1)C1CC1 ZINC000583934840 372764680 /nfs/dbraw/zinc/76/46/80/372764680.db2.gz XYYOPZWGHAIUKY-GXTWGEPZSA-N 2 2 287.404 -1.276 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643590188 372778930 /nfs/dbraw/zinc/77/89/30/372778930.db2.gz BZBJRDCHTCNRMI-RYUDHWBXSA-N 2 2 280.372 -1.029 20 0 CAADLP O[C@H]1CC[N@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000624777021 372785516 /nfs/dbraw/zinc/78/55/16/372785516.db2.gz QBQXMQZZMABIQO-VIFPVBQESA-N 2 2 265.317 -1.128 20 0 CAADLP O[C@H]1CC[N@@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000624777021 372785525 /nfs/dbraw/zinc/78/55/25/372785525.db2.gz QBQXMQZZMABIQO-VIFPVBQESA-N 2 2 265.317 -1.128 20 0 CAADLP C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237225767 372804728 /nfs/dbraw/zinc/80/47/28/372804728.db2.gz GTYLNDASRQKDGM-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237085247 372805117 /nfs/dbraw/zinc/80/51/17/372805117.db2.gz GTYLNDASRQKDGM-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237115450 372805352 /nfs/dbraw/zinc/80/53/52/372805352.db2.gz WYEGZFVVDXATNV-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP C[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237115450 372805362 /nfs/dbraw/zinc/80/53/62/372805362.db2.gz WYEGZFVVDXATNV-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000120771451 372805466 /nfs/dbraw/zinc/80/54/66/372805466.db2.gz WRMALZLSKHXOAZ-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000120771451 372805477 /nfs/dbraw/zinc/80/54/77/372805477.db2.gz WRMALZLSKHXOAZ-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC1CC[NH2+]CC1 ZINC000120678682 372805863 /nfs/dbraw/zinc/80/58/63/372805863.db2.gz AMYMSAWZUZRMCW-UHFFFAOYSA-N 2 2 254.334 -1.466 20 0 CAADLP C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237173192 372806007 /nfs/dbraw/zinc/80/60/07/372806007.db2.gz FTCXVCWGEXSFKN-NSHDSACASA-N 2 2 268.361 -1.124 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728601 372807713 /nfs/dbraw/zinc/80/77/13/372807713.db2.gz KFMCOXVHBVGTAI-TUAOUCFPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728601 372807718 /nfs/dbraw/zinc/80/77/18/372807718.db2.gz KFMCOXVHBVGTAI-TUAOUCFPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642728602 372809064 /nfs/dbraw/zinc/80/90/64/372809064.db2.gz KFMCOXVHBVGTAI-UTUOFQBUSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728602 372809075 /nfs/dbraw/zinc/80/90/75/372809075.db2.gz KFMCOXVHBVGTAI-UTUOFQBUSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000642728648 372810226 /nfs/dbraw/zinc/81/02/26/372810226.db2.gz PDVMULYLUVIIHR-SRVKXCTJSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728648 372810227 /nfs/dbraw/zinc/81/02/27/372810227.db2.gz PDVMULYLUVIIHR-SRVKXCTJSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000642728649 372810280 /nfs/dbraw/zinc/81/02/80/372810280.db2.gz PDVMULYLUVIIHR-TUAOUCFPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728649 372810281 /nfs/dbraw/zinc/81/02/81/372810281.db2.gz PDVMULYLUVIIHR-TUAOUCFPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000642728645 372810427 /nfs/dbraw/zinc/81/04/27/372810427.db2.gz PDVMULYLUVIIHR-IJLUTSLNSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000642728645 372810431 /nfs/dbraw/zinc/81/04/31/372810431.db2.gz PDVMULYLUVIIHR-IJLUTSLNSA-N 2 2 298.387 -1.358 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCC[NH2+]C1 ZINC000238108605 372812700 /nfs/dbraw/zinc/81/27/00/372812700.db2.gz XKBDNUPZYABFAJ-JTQLQIEISA-N 2 2 254.334 -1.466 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCCn1cc[nH+]c1 ZINC000238106625 372812740 /nfs/dbraw/zinc/81/27/40/372812740.db2.gz MCJUODBDGJAVLT-UHFFFAOYSA-N 2 2 265.317 -1.179 20 0 CAADLP [NH3+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019687562 372812857 /nfs/dbraw/zinc/81/28/57/372812857.db2.gz VADRJDWVLLGOLO-UHFFFAOYSA-N 2 2 254.334 -1.288 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H](C[NH3+])C1 ZINC000565536749 372836322 /nfs/dbraw/zinc/83/63/22/372836322.db2.gz FKRLPWFXSPHOKH-QMMMGPOBSA-N 2 2 269.305 -2.361 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H](C[NH3+])C1 ZINC000565536749 372836326 /nfs/dbraw/zinc/83/63/26/372836326.db2.gz FKRLPWFXSPHOKH-QMMMGPOBSA-N 2 2 269.305 -2.361 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568166860 372836392 /nfs/dbraw/zinc/83/63/92/372836392.db2.gz VTBMVEOCNBZOBS-UONOGXRCSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568166860 372836401 /nfs/dbraw/zinc/83/64/01/372836401.db2.gz VTBMVEOCNBZOBS-UONOGXRCSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000568166860 372836407 /nfs/dbraw/zinc/83/64/07/372836407.db2.gz VTBMVEOCNBZOBS-UONOGXRCSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000568166860 372836409 /nfs/dbraw/zinc/83/64/09/372836409.db2.gz VTBMVEOCNBZOBS-UONOGXRCSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568166861 372836528 /nfs/dbraw/zinc/83/65/28/372836528.db2.gz VTBMVEOCNBZOBS-ZIAGYGMSSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568166861 372836532 /nfs/dbraw/zinc/83/65/32/372836532.db2.gz VTBMVEOCNBZOBS-ZIAGYGMSSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000568166861 372836538 /nfs/dbraw/zinc/83/65/38/372836538.db2.gz VTBMVEOCNBZOBS-ZIAGYGMSSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000568166861 372836542 /nfs/dbraw/zinc/83/65/42/372836542.db2.gz VTBMVEOCNBZOBS-ZIAGYGMSSA-N 2 2 287.404 -1.058 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H](C[NH3+])C1 ZINC000565536741 372836816 /nfs/dbraw/zinc/83/68/16/372836816.db2.gz FKRLPWFXSPHOKH-MRVPVSSYSA-N 2 2 269.305 -2.361 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H](C[NH3+])C1 ZINC000565536741 372836822 /nfs/dbraw/zinc/83/68/22/372836822.db2.gz FKRLPWFXSPHOKH-MRVPVSSYSA-N 2 2 269.305 -2.361 20 0 CAADLP COCCOCC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624354941 372855101 /nfs/dbraw/zinc/85/51/01/372855101.db2.gz WTDSTCNGPRQJRU-UHFFFAOYSA-N 2 2 297.363 -1.518 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000624392522 372858115 /nfs/dbraw/zinc/85/81/15/372858115.db2.gz SUDPGBGWBQWLGZ-SFYZADRCSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000624392522 372858119 /nfs/dbraw/zinc/85/81/19/372858119.db2.gz SUDPGBGWBQWLGZ-SFYZADRCSA-N 2 2 267.337 -1.360 20 0 CAADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000518532008 372883809 /nfs/dbraw/zinc/88/38/09/372883809.db2.gz NPPBAPCRWFYRFL-NXEZZACHSA-N 2 2 254.334 -1.338 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869769 372883940 /nfs/dbraw/zinc/88/39/40/372883940.db2.gz GYXNZWQGOVKWGT-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869769 372883947 /nfs/dbraw/zinc/88/39/47/372883947.db2.gz GYXNZWQGOVKWGT-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869769 372883953 /nfs/dbraw/zinc/88/39/53/372883953.db2.gz GYXNZWQGOVKWGT-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869769 372883958 /nfs/dbraw/zinc/88/39/58/372883958.db2.gz GYXNZWQGOVKWGT-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000518532010 372886510 /nfs/dbraw/zinc/88/65/10/372886510.db2.gz NPPBAPCRWFYRFL-VHSXEESVSA-N 2 2 254.334 -1.338 20 0 CAADLP [NH3+]C[C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000518532009 372886524 /nfs/dbraw/zinc/88/65/24/372886524.db2.gz NPPBAPCRWFYRFL-UWVGGRQHSA-N 2 2 254.334 -1.338 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158294206 372887824 /nfs/dbraw/zinc/88/78/24/372887824.db2.gz INNVBPYKQOIJLF-CYBMUJFWSA-N 2 2 266.345 -1.370 20 0 CAADLP Nc1nc(N)[nH+]c(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000623858412 372903642 /nfs/dbraw/zinc/90/36/42/372903642.db2.gz LEHVQOSAMXNLJL-QMMMGPOBSA-N 2 2 267.337 -1.623 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000643775729 372911508 /nfs/dbraw/zinc/91/15/08/372911508.db2.gz BMOXAKPYUXKARX-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC000643775729 372911513 /nfs/dbraw/zinc/91/15/13/372911513.db2.gz BMOXAKPYUXKARX-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237113397 372912228 /nfs/dbraw/zinc/91/22/28/372912228.db2.gz LDWXLQPHMYGJAX-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037450 372914737 /nfs/dbraw/zinc/91/47/37/372914737.db2.gz QDKJGBOHHCNHJG-PHIMTYICSA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037450 372914739 /nfs/dbraw/zinc/91/47/39/372914739.db2.gz QDKJGBOHHCNHJG-PHIMTYICSA-N 2 2 268.361 -1.044 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910311 372920329 /nfs/dbraw/zinc/92/03/29/372920329.db2.gz DHUTUWUPRDUJGK-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910310 372920552 /nfs/dbraw/zinc/92/05/52/372920552.db2.gz DHUTUWUPRDUJGK-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000635549192 372951841 /nfs/dbraw/zinc/95/18/41/372951841.db2.gz DMLXMTMDVNQUMK-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000642926280 372926424 /nfs/dbraw/zinc/92/64/24/372926424.db2.gz AEAOQTHDYSCSBW-LBPRGKRZSA-N 2 2 296.371 -1.602 20 0 CAADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000562827693 372953118 /nfs/dbraw/zinc/95/31/18/372953118.db2.gz RSGKWVVTCHFROF-UHFFFAOYSA-N 2 2 252.318 -1.619 20 0 CAADLP CC(=O)N1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000107576171 372951174 /nfs/dbraw/zinc/95/11/74/372951174.db2.gz VADBVVPQGXLHKM-CHWSQXEVSA-N 2 2 280.372 -1.172 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)CCCO)CC1 ZINC000093173194 372954895 /nfs/dbraw/zinc/95/48/95/372954895.db2.gz OGPWTCMFDJUXHB-UHFFFAOYSA-N 2 2 259.350 -1.563 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)CCCO)CC1 ZINC000093173194 372954902 /nfs/dbraw/zinc/95/49/02/372954902.db2.gz OGPWTCMFDJUXHB-UHFFFAOYSA-N 2 2 259.350 -1.563 20 0 CAADLP C[N@@H+]1CCN(C(=O)COC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000570396106 372992359 /nfs/dbraw/zinc/99/23/59/372992359.db2.gz XDOWBRDRKHPXID-NSHDSACASA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)COC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000570396106 372992370 /nfs/dbraw/zinc/99/23/70/372992370.db2.gz XDOWBRDRKHPXID-NSHDSACASA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000574426982 335019102 /nfs/dbraw/zinc/01/91/02/335019102.db2.gz VUQYGKUDEQSYLV-MRVPVSSYSA-N 3 2 265.308 -1.135 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000332882071 373011265 /nfs/dbraw/zinc/01/12/65/373011265.db2.gz BRLFTQFXNYMDJM-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000332882071 373011271 /nfs/dbraw/zinc/01/12/71/373011271.db2.gz BRLFTQFXNYMDJM-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)COC2C[NH2+]C2)CCO1 ZINC000570804501 373001537 /nfs/dbraw/zinc/00/15/37/373001537.db2.gz XKYNSZZXHVHRLM-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)COC2C[NH2+]C2)CCO1 ZINC000570804501 373001548 /nfs/dbraw/zinc/00/15/48/373001548.db2.gz XKYNSZZXHVHRLM-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP CN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000572781124 373001800 /nfs/dbraw/zinc/00/18/00/373001800.db2.gz CGEWTBTYBOTHLB-MXWKQRLJSA-N 2 2 266.345 -1.149 20 0 CAADLP CN1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000572781124 373001808 /nfs/dbraw/zinc/00/18/08/373001808.db2.gz CGEWTBTYBOTHLB-MXWKQRLJSA-N 2 2 266.345 -1.149 20 0 CAADLP CN1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000572781123 373001861 /nfs/dbraw/zinc/00/18/61/373001861.db2.gz CGEWTBTYBOTHLB-DCAQKATOSA-N 2 2 266.345 -1.149 20 0 CAADLP CN1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000572781123 373001866 /nfs/dbraw/zinc/00/18/66/373001866.db2.gz CGEWTBTYBOTHLB-DCAQKATOSA-N 2 2 266.345 -1.149 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000580052139 373009723 /nfs/dbraw/zinc/00/97/23/373009723.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 3 2 287.408 -1.151 20 0 CAADLP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580052139 373009729 /nfs/dbraw/zinc/00/97/29/373009729.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 3 2 287.408 -1.151 20 0 CAADLP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580052139 373009735 /nfs/dbraw/zinc/00/97/35/373009735.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 3 2 287.408 -1.151 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000569763204 372982400 /nfs/dbraw/zinc/98/24/00/372982400.db2.gz BPGVGYLGJWMTGF-NWDGAFQWSA-N 2 2 271.361 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000569763204 372982404 /nfs/dbraw/zinc/98/24/04/372982404.db2.gz BPGVGYLGJWMTGF-NWDGAFQWSA-N 2 2 271.361 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000569763205 372982944 /nfs/dbraw/zinc/98/29/44/372982944.db2.gz BPGVGYLGJWMTGF-RYUDHWBXSA-N 2 2 271.361 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000569763205 372982953 /nfs/dbraw/zinc/98/29/53/372982953.db2.gz BPGVGYLGJWMTGF-RYUDHWBXSA-N 2 2 271.361 -1.565 20 0 CAADLP CN1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162539451 373010735 /nfs/dbraw/zinc/01/07/35/373010735.db2.gz WUQJYKJMAXBKPQ-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP CN1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000162539451 373010740 /nfs/dbraw/zinc/01/07/40/373010740.db2.gz WUQJYKJMAXBKPQ-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+]1CCN(C(=O)Cn2ccccc2=O)[C@H](C[NH3+])C1 ZINC000570089381 372988573 /nfs/dbraw/zinc/98/85/73/372988573.db2.gz IEHBMCRRDFHOSK-LLVKDONJSA-N 2 2 264.329 -1.050 20 0 CAADLP C[N@H+]1CCN(C(=O)Cn2ccccc2=O)[C@H](C[NH3+])C1 ZINC000570089381 372988579 /nfs/dbraw/zinc/98/85/79/372988579.db2.gz IEHBMCRRDFHOSK-LLVKDONJSA-N 2 2 264.329 -1.050 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107453 372988706 /nfs/dbraw/zinc/98/87/06/372988706.db2.gz LDRINWQLFLFACW-QWRGUYRKSA-N 2 2 266.345 -1.244 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCC3CC3)CCN2C1=O ZINC000570107453 372988710 /nfs/dbraw/zinc/98/87/10/372988710.db2.gz LDRINWQLFLFACW-QWRGUYRKSA-N 2 2 266.345 -1.244 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000580052140 373010779 /nfs/dbraw/zinc/01/07/79/373010779.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 3 2 287.408 -1.151 20 0 CAADLP COCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580052140 373010784 /nfs/dbraw/zinc/01/07/84/373010784.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 3 2 287.408 -1.151 20 0 CAADLP COCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580052140 373010790 /nfs/dbraw/zinc/01/07/90/373010790.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 3 2 287.408 -1.151 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000563034557 373020132 /nfs/dbraw/zinc/02/01/32/373020132.db2.gz AWJXBDJRESEWNL-JTQLQIEISA-N 2 2 273.333 -1.285 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000592308988 373069074 /nfs/dbraw/zinc/06/90/74/373069074.db2.gz MOYWGNNHLULTEC-KXUCPTDWSA-N 2 2 255.318 -1.103 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000592308988 373069079 /nfs/dbraw/zinc/06/90/79/373069079.db2.gz MOYWGNNHLULTEC-KXUCPTDWSA-N 2 2 255.318 -1.103 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197642 373066692 /nfs/dbraw/zinc/06/66/92/373066692.db2.gz FUIKXCXVUMKFPR-VXGBXAGGSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197642 373066699 /nfs/dbraw/zinc/06/66/99/373066699.db2.gz FUIKXCXVUMKFPR-VXGBXAGGSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000592956991 373083858 /nfs/dbraw/zinc/08/38/58/373083858.db2.gz KJASZCZGGKCEHI-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000592956991 373083863 /nfs/dbraw/zinc/08/38/63/373083863.db2.gz KJASZCZGGKCEHI-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592960188 373084380 /nfs/dbraw/zinc/08/43/80/373084380.db2.gz ZPSJODLGYAWTIB-SRVKXCTJSA-N 2 2 299.371 -1.066 20 0 CAADLP COC(=O)[C@](C)(O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052368 373088112 /nfs/dbraw/zinc/08/81/12/373088112.db2.gz QLMUIFRQGLGYQS-CYBMUJFWSA-N 2 2 287.360 -1.384 20 0 CAADLP COC(=O)[C@](C)(O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052368 373088119 /nfs/dbraw/zinc/08/81/19/373088119.db2.gz QLMUIFRQGLGYQS-CYBMUJFWSA-N 2 2 287.360 -1.384 20 0 CAADLP Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000594701850 373102251 /nfs/dbraw/zinc/10/22/51/373102251.db2.gz PLZXHNKTHJWFBA-NXEZZACHSA-N 2 2 291.359 -1.006 20 0 CAADLP Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000594701850 373102260 /nfs/dbraw/zinc/10/22/60/373102260.db2.gz PLZXHNKTHJWFBA-NXEZZACHSA-N 2 2 291.359 -1.006 20 0 CAADLP CNS(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875148 373105336 /nfs/dbraw/zinc/10/53/36/373105336.db2.gz XXZCBSMHCPHSCI-ZJUUUORDSA-N 2 2 290.389 -1.831 20 0 CAADLP CNS(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875148 373105348 /nfs/dbraw/zinc/10/53/48/373105348.db2.gz XXZCBSMHCPHSCI-ZJUUUORDSA-N 2 2 290.389 -1.831 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875733 373105520 /nfs/dbraw/zinc/10/55/20/373105520.db2.gz WIKCVDBAUBETKL-TUAOUCFPSA-N 2 2 298.387 -1.229 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875733 373105524 /nfs/dbraw/zinc/10/55/24/373105524.db2.gz WIKCVDBAUBETKL-TUAOUCFPSA-N 2 2 298.387 -1.229 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875728 373105678 /nfs/dbraw/zinc/10/56/78/373105678.db2.gz WIKCVDBAUBETKL-SDDRHHMPSA-N 2 2 298.387 -1.229 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875728 373105682 /nfs/dbraw/zinc/10/56/82/373105682.db2.gz WIKCVDBAUBETKL-SDDRHHMPSA-N 2 2 298.387 -1.229 20 0 CAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CCN2C1=O ZINC000594881523 373106945 /nfs/dbraw/zinc/10/69/45/373106945.db2.gz ZFAXFBVKPPPYFT-DJLDLDEBSA-N 2 2 288.298 -1.246 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592431531 373072595 /nfs/dbraw/zinc/07/25/95/373072595.db2.gz ZXXJHZPECQDEAB-USZNOCQGSA-N 2 2 290.360 -1.420 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000592431531 373072603 /nfs/dbraw/zinc/07/26/03/373072603.db2.gz ZXXJHZPECQDEAB-USZNOCQGSA-N 2 2 290.360 -1.420 20 0 CAADLP COC(=O)[C@@H]([NH2+]CCCNc1nc(N)[nH+]c(N)n1)C(C)C ZINC000599086817 373167457 /nfs/dbraw/zinc/16/74/57/373167457.db2.gz SKMFYHBEIBAVMN-QMMMGPOBSA-N 2 2 297.363 -1.292 20 0 CAADLP COC(=O)[C@@H]([NH2+]CCCNc1nc(N)nc(N)[nH+]1)C(C)C ZINC000599086817 373167468 /nfs/dbraw/zinc/16/74/68/373167468.db2.gz SKMFYHBEIBAVMN-QMMMGPOBSA-N 2 2 297.363 -1.292 20 0 CAADLP COC(=O)CCN1CC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595890412 373120475 /nfs/dbraw/zinc/12/04/75/373120475.db2.gz DAMJKRUZTMNQFF-UWVGGRQHSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)CCN1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000595890412 373120481 /nfs/dbraw/zinc/12/04/81/373120481.db2.gz DAMJKRUZTMNQFF-UWVGGRQHSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893104 373120681 /nfs/dbraw/zinc/12/06/81/373120681.db2.gz PFGQZABDYLLOTL-GHMZBOCLSA-N 2 2 297.355 -1.129 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893104 373120687 /nfs/dbraw/zinc/12/06/87/373120687.db2.gz PFGQZABDYLLOTL-GHMZBOCLSA-N 2 2 297.355 -1.129 20 0 CAADLP COC(=O)CC1(C[N@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000595901787 373122169 /nfs/dbraw/zinc/12/21/69/373122169.db2.gz JAAHMYOJXXRENP-JTQLQIEISA-N 2 2 260.334 -1.056 20 0 CAADLP COC(=O)CC1(C[N@@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000595901787 373122180 /nfs/dbraw/zinc/12/21/80/373122180.db2.gz JAAHMYOJXXRENP-JTQLQIEISA-N 2 2 260.334 -1.056 20 0 CAADLP COC(=O)CC1(C[N@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000595901791 373123364 /nfs/dbraw/zinc/12/33/64/373123364.db2.gz JAAHMYOJXXRENP-SNVBAGLBSA-N 2 2 260.334 -1.056 20 0 CAADLP COC(=O)CC1(C[N@@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000595901791 373123372 /nfs/dbraw/zinc/12/33/72/373123372.db2.gz JAAHMYOJXXRENP-SNVBAGLBSA-N 2 2 260.334 -1.056 20 0 CAADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000595954207 373124921 /nfs/dbraw/zinc/12/49/21/373124921.db2.gz IBCGEZYEDFIATH-SNVBAGLBSA-N 2 2 285.344 -1.584 20 0 CAADLP COc1c(N)[nH+]cnc1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596013646 373130267 /nfs/dbraw/zinc/13/02/67/373130267.db2.gz ISPIRHRBCVRTGB-YUMQZZPRSA-N 2 2 278.316 -1.184 20 0 CAADLP COc1c(N)nc[nH+]c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596013646 373130280 /nfs/dbraw/zinc/13/02/80/373130280.db2.gz ISPIRHRBCVRTGB-YUMQZZPRSA-N 2 2 278.316 -1.184 20 0 CAADLP C[N@H+](CCC(=O)NC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000602989319 373210213 /nfs/dbraw/zinc/21/02/13/373210213.db2.gz LEUUJWMWBNKKQU-UHFFFAOYSA-N 2 2 285.348 -1.723 20 0 CAADLP C[N@@H+](CCC(=O)NC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000602989319 373210220 /nfs/dbraw/zinc/21/02/20/373210220.db2.gz LEUUJWMWBNKKQU-UHFFFAOYSA-N 2 2 285.348 -1.723 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCOC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563101764 373218876 /nfs/dbraw/zinc/21/88/76/373218876.db2.gz NNNSHUVMGAVGNJ-SNVBAGLBSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)CCOC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563101764 373218884 /nfs/dbraw/zinc/21/88/84/373218884.db2.gz NNNSHUVMGAVGNJ-SNVBAGLBSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCCNC2=O)[C@H](C[NH3+])C1 ZINC000563101358 373219509 /nfs/dbraw/zinc/21/95/09/373219509.db2.gz DWVLXJGKKWIETE-SNVBAGLBSA-N 2 2 269.349 -1.497 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCCNC2=O)[C@H](C[NH3+])C1 ZINC000563101358 373219514 /nfs/dbraw/zinc/21/95/14/373219514.db2.gz DWVLXJGKKWIETE-SNVBAGLBSA-N 2 2 269.349 -1.497 20 0 CAADLP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000563109523 373219742 /nfs/dbraw/zinc/21/97/42/373219742.db2.gz JMBZSTZBBAVOCX-VHSXEESVSA-N 2 2 254.334 -1.325 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313626158 373220657 /nfs/dbraw/zinc/22/06/57/373220657.db2.gz LGCHTGVUYFJZSP-QWHCGFSZSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313626158 373220667 /nfs/dbraw/zinc/22/06/67/373220667.db2.gz LGCHTGVUYFJZSP-QWHCGFSZSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313626158 373220675 /nfs/dbraw/zinc/22/06/75/373220675.db2.gz LGCHTGVUYFJZSP-QWHCGFSZSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313626158 373220680 /nfs/dbraw/zinc/22/06/80/373220680.db2.gz LGCHTGVUYFJZSP-QWHCGFSZSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313626152 373221926 /nfs/dbraw/zinc/22/19/26/373221926.db2.gz LGCHTGVUYFJZSP-CHWSQXEVSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313626152 373221938 /nfs/dbraw/zinc/22/19/38/373221938.db2.gz LGCHTGVUYFJZSP-CHWSQXEVSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313626152 373221944 /nfs/dbraw/zinc/22/19/44/373221944.db2.gz LGCHTGVUYFJZSP-CHWSQXEVSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313626152 373221951 /nfs/dbraw/zinc/22/19/51/373221951.db2.gz LGCHTGVUYFJZSP-CHWSQXEVSA-N 2 2 276.377 -1.255 20 0 CAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563139699 373222644 /nfs/dbraw/zinc/22/26/44/373222644.db2.gz BRFRDQKMJJDXFO-NJMOYASZSA-N 2 2 276.377 -1.212 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](C[NH3+])C1 ZINC000250374348 373173971 /nfs/dbraw/zinc/17/39/71/373173971.db2.gz JSYRDMCFIZYNLL-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](C[NH3+])C1 ZINC000250374348 373173985 /nfs/dbraw/zinc/17/39/85/373173985.db2.gz JSYRDMCFIZYNLL-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567829757 373185678 /nfs/dbraw/zinc/18/56/78/373185678.db2.gz NADHFBWCWGIUPY-DTWKUNHWSA-N 2 2 278.378 -1.975 20 0 CAADLP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567829757 373185681 /nfs/dbraw/zinc/18/56/81/373185681.db2.gz NADHFBWCWGIUPY-DTWKUNHWSA-N 2 2 278.378 -1.975 20 0 CAADLP CS(=O)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000062084348 373194652 /nfs/dbraw/zinc/19/46/52/373194652.db2.gz KFZHQYBCDFFTQM-UHFFFAOYSA-N 2 2 276.406 -1.531 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NS(N)(=O)=O)C2)CC1 ZINC000602283977 373196701 /nfs/dbraw/zinc/19/67/01/373196701.db2.gz ZUDMGRIVYQJHMP-SECBINFHSA-N 2 2 262.379 -1.052 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NS(N)(=O)=O)C2)CC1 ZINC000602283977 373196711 /nfs/dbraw/zinc/19/67/11/373196711.db2.gz ZUDMGRIVYQJHMP-SECBINFHSA-N 2 2 262.379 -1.052 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602544444 373203281 /nfs/dbraw/zinc/20/32/81/373203281.db2.gz BFFIYYYMAYTZIU-BDAKNGLRSA-N 2 2 259.306 -1.676 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602544444 373203284 /nfs/dbraw/zinc/20/32/84/373203284.db2.gz BFFIYYYMAYTZIU-BDAKNGLRSA-N 2 2 259.306 -1.676 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989374 373208323 /nfs/dbraw/zinc/20/83/23/373208323.db2.gz NDMAKSKAPNFJDU-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989374 373208328 /nfs/dbraw/zinc/20/83/28/373208328.db2.gz NDMAKSKAPNFJDU-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H](C)[NH3+] ZINC000563159405 373237014 /nfs/dbraw/zinc/23/70/14/373237014.db2.gz DRZMSVMVAWKCEJ-JTQLQIEISA-N 2 2 273.333 -1.333 20 0 CAADLP C[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000310093008 373238317 /nfs/dbraw/zinc/23/83/17/373238317.db2.gz KBNOFWBXZAEMHK-SNVBAGLBSA-N 2 2 263.363 -1.448 20 0 CAADLP CC(C)[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCOCC1 ZINC000623832391 373243717 /nfs/dbraw/zinc/24/37/17/373243717.db2.gz YSUAKPGORADKAF-VIFPVBQESA-N 2 2 281.364 -1.113 20 0 CAADLP CC[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000310793204 373246297 /nfs/dbraw/zinc/24/62/97/373246297.db2.gz BHNODZOFYQNHKR-LLVKDONJSA-N 2 2 277.390 -1.058 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637440643 373254824 /nfs/dbraw/zinc/25/48/24/373254824.db2.gz OUGPTQVRIACASD-RWMBFGLXSA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637440643 373254832 /nfs/dbraw/zinc/25/48/32/373254832.db2.gz OUGPTQVRIACASD-RWMBFGLXSA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637440643 373254838 /nfs/dbraw/zinc/25/48/38/373254838.db2.gz OUGPTQVRIACASD-RWMBFGLXSA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637440643 373254843 /nfs/dbraw/zinc/25/48/43/373254843.db2.gz OUGPTQVRIACASD-RWMBFGLXSA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637439666 373256476 /nfs/dbraw/zinc/25/64/76/373256476.db2.gz BQIDGCVHPRFUBX-DGCLKSJQSA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637439666 373256482 /nfs/dbraw/zinc/25/64/82/373256482.db2.gz BQIDGCVHPRFUBX-DGCLKSJQSA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000637439666 373256487 /nfs/dbraw/zinc/25/64/87/373256487.db2.gz BQIDGCVHPRFUBX-DGCLKSJQSA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000637439666 373256493 /nfs/dbraw/zinc/25/64/93/373256493.db2.gz BQIDGCVHPRFUBX-DGCLKSJQSA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000637439649 373256653 /nfs/dbraw/zinc/25/66/53/373256653.db2.gz BDKSOLHIZZHKMW-NWDGAFQWSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000637439649 373256658 /nfs/dbraw/zinc/25/66/58/373256658.db2.gz BDKSOLHIZZHKMW-NWDGAFQWSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637439649 373256664 /nfs/dbraw/zinc/25/66/64/373256664.db2.gz BDKSOLHIZZHKMW-NWDGAFQWSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637439649 373256670 /nfs/dbraw/zinc/25/66/70/373256670.db2.gz BDKSOLHIZZHKMW-NWDGAFQWSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000637439648 373256765 /nfs/dbraw/zinc/25/67/65/373256765.db2.gz BDKSOLHIZZHKMW-NEPJUHHUSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000637439648 373256768 /nfs/dbraw/zinc/25/67/68/373256768.db2.gz BDKSOLHIZZHKMW-NEPJUHHUSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637439648 373256773 /nfs/dbraw/zinc/25/67/73/373256773.db2.gz BDKSOLHIZZHKMW-NEPJUHHUSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637439648 373256776 /nfs/dbraw/zinc/25/67/76/373256776.db2.gz BDKSOLHIZZHKMW-NEPJUHHUSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637439667 373257131 /nfs/dbraw/zinc/25/71/31/373257131.db2.gz BQIDGCVHPRFUBX-WCQYABFASA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000637439667 373257137 /nfs/dbraw/zinc/25/71/37/373257137.db2.gz BQIDGCVHPRFUBX-WCQYABFASA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000637439667 373257145 /nfs/dbraw/zinc/25/71/45/373257145.db2.gz BQIDGCVHPRFUBX-WCQYABFASA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000637439667 373257152 /nfs/dbraw/zinc/25/71/52/373257152.db2.gz BQIDGCVHPRFUBX-WCQYABFASA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)C[C@@H]1O ZINC000637443757 373259375 /nfs/dbraw/zinc/25/93/75/373259375.db2.gz ZMHVAXALWQQOGH-SRVKXCTJSA-N 2 2 286.376 -1.367 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)C[C@@H]1O ZINC000637443757 373259378 /nfs/dbraw/zinc/25/93/78/373259378.db2.gz ZMHVAXALWQQOGH-SRVKXCTJSA-N 2 2 286.376 -1.367 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000563198256 373268475 /nfs/dbraw/zinc/26/84/75/373268475.db2.gz LQCCJJLFUYJGGD-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000563198256 373268482 /nfs/dbraw/zinc/26/84/82/373268482.db2.gz LQCCJJLFUYJGGD-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000563198254 373269796 /nfs/dbraw/zinc/26/97/96/373269796.db2.gz LQCCJJLFUYJGGD-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000563198254 373269800 /nfs/dbraw/zinc/26/98/00/373269800.db2.gz LQCCJJLFUYJGGD-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487522 373299662 /nfs/dbraw/zinc/29/96/62/373299662.db2.gz ZUGYJEIKLRIFIA-AWEZNQCLSA-N 2 2 280.372 -1.028 20 0 CAADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487522 373299665 /nfs/dbraw/zinc/29/96/65/373299665.db2.gz ZUGYJEIKLRIFIA-AWEZNQCLSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487522 373299667 /nfs/dbraw/zinc/29/96/67/373299667.db2.gz ZUGYJEIKLRIFIA-AWEZNQCLSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487522 373299672 /nfs/dbraw/zinc/29/96/72/373299672.db2.gz ZUGYJEIKLRIFIA-AWEZNQCLSA-N 2 2 280.372 -1.028 20 0 CAADLP CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763390 373299798 /nfs/dbraw/zinc/29/97/98/373299798.db2.gz RPJKPPJKDNEAEH-UHFFFAOYSA-N 2 2 299.375 -1.462 20 0 CAADLP CS(=O)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000086435714 373302882 /nfs/dbraw/zinc/30/28/82/373302882.db2.gz VQWSFGDZEVCGHA-UHFFFAOYSA-N 2 2 251.352 -1.461 20 0 CAADLP CNC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266928976 373320040 /nfs/dbraw/zinc/32/00/40/373320040.db2.gz NVMZFRZZKRFZDJ-UHFFFAOYSA-N 2 2 280.332 -1.002 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@@H]1CC[NH2+]C1 ZINC000571044990 373280598 /nfs/dbraw/zinc/28/05/98/373280598.db2.gz SDOYHWRCBOEHBU-JTQLQIEISA-N 2 2 254.334 -1.466 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000124497258 373281114 /nfs/dbraw/zinc/28/11/14/373281114.db2.gz APCDRWNSFWCYEJ-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000124497258 373281127 /nfs/dbraw/zinc/28/11/27/373281127.db2.gz APCDRWNSFWCYEJ-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP C[C@@H](C(=O)NCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638051068 373374294 /nfs/dbraw/zinc/37/42/94/373374294.db2.gz BLYVLFONWCUNCU-JTQLQIEISA-N 2 2 265.317 -1.180 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638047838 373374544 /nfs/dbraw/zinc/37/45/44/373374544.db2.gz VEOIKZQMWHCORY-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638056890 373377148 /nfs/dbraw/zinc/37/71/48/373377148.db2.gz OGWOHKZYLWSAOX-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638068504 373377463 /nfs/dbraw/zinc/37/74/63/373377463.db2.gz CDVDUTOJYCOVFV-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)N1CCC([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637797807 373350334 /nfs/dbraw/zinc/35/03/34/373350334.db2.gz FFSXJEUMBBGGCY-VIFPVBQESA-N 2 2 254.334 -1.244 20 0 CAADLP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637801734 373350619 /nfs/dbraw/zinc/35/06/19/373350619.db2.gz MUQKSJMGZQGDOU-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637801722 373351100 /nfs/dbraw/zinc/35/11/00/373351100.db2.gz MUQKSJMGZQGDOU-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H](C(=O)N1CCC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637801124 373351545 /nfs/dbraw/zinc/35/15/45/373351545.db2.gz IMODHRQVKIBMJG-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@H](C(=O)N1CCC([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637797806 373351775 /nfs/dbraw/zinc/35/17/75/373351775.db2.gz FFSXJEUMBBGGCY-SECBINFHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637826402 373353172 /nfs/dbraw/zinc/35/31/72/373353172.db2.gz CJPIHGWUOBKSGG-UWVGGRQHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000637819843 373353271 /nfs/dbraw/zinc/35/32/71/373353271.db2.gz YKHCYTBBIVUMMQ-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637832855 373353709 /nfs/dbraw/zinc/35/37/09/373353709.db2.gz LJTJXEXJGNWZQN-GFCCVEGCSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637821641 373353831 /nfs/dbraw/zinc/35/38/31/373353831.db2.gz DHEOQFZDIZOIHA-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637821638 373354001 /nfs/dbraw/zinc/35/40/01/373354001.db2.gz DHEOQFZDIZOIHA-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637826404 373354027 /nfs/dbraw/zinc/35/40/27/373354027.db2.gz CJPIHGWUOBKSGG-ZJUUUORDSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000637819842 373354430 /nfs/dbraw/zinc/35/44/30/373354430.db2.gz YKHCYTBBIVUMMQ-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)NC[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637826401 373355222 /nfs/dbraw/zinc/35/52/22/373355222.db2.gz CJPIHGWUOBKSGG-NXEZZACHSA-N 2 2 254.334 -1.325 20 0 CAADLP Cn1c(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c[nH]c1=O ZINC000637863811 373355977 /nfs/dbraw/zinc/35/59/77/373355977.db2.gz HGPZZCFCQSRBGI-MRVPVSSYSA-N 2 2 253.306 -1.159 20 0 CAADLP Cn1c(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c[nH]c1=O ZINC000637863811 373355988 /nfs/dbraw/zinc/35/59/88/373355988.db2.gz HGPZZCFCQSRBGI-MRVPVSSYSA-N 2 2 253.306 -1.159 20 0 CAADLP CN1C(=O)CN(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000637864964 373356523 /nfs/dbraw/zinc/35/65/23/373356523.db2.gz YPOXCDSQPBZGMS-SECBINFHSA-N 2 2 283.332 -2.018 20 0 CAADLP CN1C(=O)CN(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000637864964 373356533 /nfs/dbraw/zinc/35/65/33/373356533.db2.gz YPOXCDSQPBZGMS-SECBINFHSA-N 2 2 283.332 -2.018 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842790 373356647 /nfs/dbraw/zinc/35/66/47/373356647.db2.gz RYYLNZIXUJUJMW-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637854307 373356725 /nfs/dbraw/zinc/35/67/25/373356725.db2.gz GIINZWNYZKYTOU-WCBMZHEXSA-N 2 2 254.334 -1.340 20 0 CAADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637847415 373356810 /nfs/dbraw/zinc/35/68/10/373356810.db2.gz NPUCFBOTOFQHBM-VHSXEESVSA-N 2 2 256.350 -1.094 20 0 CAADLP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637833092 373357071 /nfs/dbraw/zinc/35/70/71/373357071.db2.gz MXWPWMLHUVBUSH-QWRGUYRKSA-N 2 2 268.361 -1.078 20 0 CAADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637847413 373357421 /nfs/dbraw/zinc/35/74/21/373357421.db2.gz NPUCFBOTOFQHBM-NXEZZACHSA-N 2 2 256.350 -1.094 20 0 CAADLP C[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637835544 373357440 /nfs/dbraw/zinc/35/74/40/373357440.db2.gz HLMVZQYGDSRZSE-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637835681 373357510 /nfs/dbraw/zinc/35/75/10/373357510.db2.gz PYCKKUBCJRMBFD-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637833094 373357822 /nfs/dbraw/zinc/35/78/22/373357822.db2.gz MXWPWMLHUVBUSH-WDEREUQCSA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637835545 373358134 /nfs/dbraw/zinc/35/81/34/373358134.db2.gz HLMVZQYGDSRZSE-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638047837 373373415 /nfs/dbraw/zinc/37/34/15/373373415.db2.gz VEOIKZQMWHCORY-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H](C(=O)NCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638051069 373373469 /nfs/dbraw/zinc/37/34/69/373373469.db2.gz BLYVLFONWCUNCU-SNVBAGLBSA-N 2 2 265.317 -1.180 20 0 CAADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)C[NH2+]CCO1 ZINC000638228052 373401932 /nfs/dbraw/zinc/40/19/32/373401932.db2.gz WIOBANSEPUFDPH-LBPRGKRZSA-N 2 2 257.334 -1.499 20 0 CAADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000638226401 373402057 /nfs/dbraw/zinc/40/20/57/373402057.db2.gz GCOJJEBVIFURQA-YPMHNXCESA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638227869 373402177 /nfs/dbraw/zinc/40/21/77/373402177.db2.gz BOSCAOUNIBONOS-UTUOFQBUSA-N 2 2 296.371 -1.604 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)N1CC[NH2+]CC1=O ZINC000638253077 373404011 /nfs/dbraw/zinc/40/40/11/373404011.db2.gz HUXLRICJLHRTRB-MFKMUULPSA-N 2 2 286.351 -1.033 20 0 CAADLP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)N1CC[NH2+]CC1=O ZINC000638256510 373404098 /nfs/dbraw/zinc/40/40/98/373404098.db2.gz RKHNIGDGNULBDP-YUMQZZPRSA-N 2 2 278.303 -1.095 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)N1CC[NH2+]CC1=O ZINC000638253076 373404299 /nfs/dbraw/zinc/40/42/99/373404299.db2.gz HUXLRICJLHRTRB-GXFFZTMASA-N 2 2 286.351 -1.033 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N1CC[NH2+]CC1=O ZINC000638246320 373404332 /nfs/dbraw/zinc/40/43/32/373404332.db2.gz BJQOFUALIWTBNB-UTLUCORTSA-N 2 2 272.324 -1.377 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)N1CC[NH2+]CC1=O ZINC000638253075 373404591 /nfs/dbraw/zinc/40/45/91/373404591.db2.gz HUXLRICJLHRTRB-GWCFXTLKSA-N 2 2 286.351 -1.033 20 0 CAADLP C[C@H](C(=O)NCCOCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638290473 373409670 /nfs/dbraw/zinc/40/96/70/373409670.db2.gz GWBURQQJGGIKSC-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CC1=O ZINC000638338531 373416759 /nfs/dbraw/zinc/41/67/59/373416759.db2.gz YKOMXRLFVDURDV-UWVGGRQHSA-N 2 2 270.333 -2.089 20 0 CAADLP O=C(CN1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638413716 373420678 /nfs/dbraw/zinc/42/06/78/373420678.db2.gz DOCUNKPBJGTGQL-CYBMUJFWSA-N 2 2 282.388 -1.175 20 0 CAADLP C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638438758 373422482 /nfs/dbraw/zinc/42/24/82/373422482.db2.gz ZOZGJMWBLIGPQE-JTQLQIEISA-N 2 2 282.344 -1.993 20 0 CAADLP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638431841 373422550 /nfs/dbraw/zinc/42/25/50/373422550.db2.gz VHUTWPHZHRYSJX-OPRDCNLKSA-N 2 2 272.324 -1.296 20 0 CAADLP C[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)N1CC[NH2+]CC1=O ZINC000638417706 373423426 /nfs/dbraw/zinc/42/34/26/373423426.db2.gz JEIBSQCHYIPZIG-JBLZRFIASA-N 2 2 266.345 -1.244 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638444876 373423469 /nfs/dbraw/zinc/42/34/69/373423469.db2.gz BTMLRGKCYWSNHB-GRYCIOLGSA-N 2 2 271.361 -1.125 20 0 CAADLP C[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638435031 373423671 /nfs/dbraw/zinc/42/36/71/373423671.db2.gz AMIDCOITLZUDID-JOYOIKCWSA-N 2 2 254.334 -1.325 20 0 CAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000638484805 373425190 /nfs/dbraw/zinc/42/51/90/373425190.db2.gz SWNSIUKANPCEKZ-NSHDSACASA-N 2 2 268.361 -1.125 20 0 CAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000638484804 373425289 /nfs/dbraw/zinc/42/52/89/373425289.db2.gz SWNSIUKANPCEKZ-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497707 373428963 /nfs/dbraw/zinc/42/89/63/373428963.db2.gz HJSRTXOTEGUUAN-JTQLQIEISA-N 2 2 266.345 -1.181 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098228 373381171 /nfs/dbraw/zinc/38/11/71/373381171.db2.gz LCUBGBXBEFDTQS-GARJFASQSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098228 373381183 /nfs/dbraw/zinc/38/11/83/373381183.db2.gz LCUBGBXBEFDTQS-GARJFASQSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638089480 373381777 /nfs/dbraw/zinc/38/17/77/373381777.db2.gz AHOGAYXCRWEBHB-GARJFASQSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638089480 373381782 /nfs/dbraw/zinc/38/17/82/373381782.db2.gz AHOGAYXCRWEBHB-GARJFASQSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638099301 373384761 /nfs/dbraw/zinc/38/47/61/373384761.db2.gz SJSKQZRFPQXYCJ-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638099301 373384771 /nfs/dbraw/zinc/38/47/71/373384771.db2.gz SJSKQZRFPQXYCJ-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638100478 373385085 /nfs/dbraw/zinc/38/50/85/373385085.db2.gz ZJGVXXCBWSEPJQ-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638100478 373385092 /nfs/dbraw/zinc/38/50/92/373385092.db2.gz ZJGVXXCBWSEPJQ-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638100480 373385330 /nfs/dbraw/zinc/38/53/30/373385330.db2.gz ZJGVXXCBWSEPJQ-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638100480 373385336 /nfs/dbraw/zinc/38/53/36/373385336.db2.gz ZJGVXXCBWSEPJQ-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098513 373386180 /nfs/dbraw/zinc/38/61/80/373386180.db2.gz BGFJZTDMJMJFHO-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098513 373386187 /nfs/dbraw/zinc/38/61/87/373386187.db2.gz BGFJZTDMJMJFHO-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140087 373387313 /nfs/dbraw/zinc/38/73/13/373387313.db2.gz UECYSUMLIONUNF-VXGBXAGGSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH2+]CC1=O ZINC000638140087 373387318 /nfs/dbraw/zinc/38/73/18/373387318.db2.gz UECYSUMLIONUNF-VXGBXAGGSA-N 2 2 297.403 -1.831 20 0 CAADLP C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638135887 373387632 /nfs/dbraw/zinc/38/76/32/373387632.db2.gz DFEDLTDBLMCDSY-LBPRGKRZSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@H](C(=O)NCCN1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638135885 373388124 /nfs/dbraw/zinc/38/81/24/373388124.db2.gz DFEDLTDBLMCDSY-GFCCVEGCSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638155713 373390667 /nfs/dbraw/zinc/39/06/67/373390667.db2.gz YAMALEABKKYTAQ-PSASIEDQSA-N 2 2 254.334 -1.340 20 0 CAADLP C[C@H](C(=O)NCC1([NH3+])CCC1)N1CC[NH2+]CC1=O ZINC000638161989 373391660 /nfs/dbraw/zinc/39/16/60/373391660.db2.gz YDKMCGUNVTXAQN-SECBINFHSA-N 2 2 254.334 -1.196 20 0 CAADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000638139384 373392873 /nfs/dbraw/zinc/39/28/73/373392873.db2.gz CXVMYESAEXTMNK-ZDUSSCGKSA-N 2 2 283.420 -1.356 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638181893 373394315 /nfs/dbraw/zinc/39/43/15/373394315.db2.gz ZGLFQZCWZIBVKN-GMTAPVOTSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638173539 373394836 /nfs/dbraw/zinc/39/48/36/373394836.db2.gz YKSQALZVUOPUGV-NXEZZACHSA-N 2 2 270.333 -2.007 20 0 CAADLP C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638173541 373395533 /nfs/dbraw/zinc/39/55/33/373395533.db2.gz YKSQALZVUOPUGV-VHSXEESVSA-N 2 2 270.333 -2.007 20 0 CAADLP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638213115 373397899 /nfs/dbraw/zinc/39/78/99/373397899.db2.gz DYXCYWCPRFBKAP-GARJFASQSA-N 2 2 266.345 -1.516 20 0 CAADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638202875 373398520 /nfs/dbraw/zinc/39/85/20/373398520.db2.gz RPHYQNMRVLSLAL-VWYCJHECSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH2+]CC1=O ZINC000638227867 373401106 /nfs/dbraw/zinc/40/11/06/373401106.db2.gz BOSCAOUNIBONOS-GRYCIOLGSA-N 2 2 296.371 -1.604 20 0 CAADLP [NH3+]C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCCOC1 ZINC000638227243 373401343 /nfs/dbraw/zinc/40/13/43/373401343.db2.gz OLHGLOUZYYNOGH-CYBMUJFWSA-N 2 2 271.361 -1.122 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638611257 373441304 /nfs/dbraw/zinc/44/13/04/373441304.db2.gz NGYLGVWYFNLECD-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1COCCN1C)N1CC[NH2+]CC1=O ZINC000638608810 373441878 /nfs/dbraw/zinc/44/18/78/373441878.db2.gz BXGMJQIAVGRAOS-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638608810 373441888 /nfs/dbraw/zinc/44/18/88/373441888.db2.gz BXGMJQIAVGRAOS-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638608810 373441900 /nfs/dbraw/zinc/44/19/00/373441900.db2.gz BXGMJQIAVGRAOS-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638609097 373442615 /nfs/dbraw/zinc/44/26/15/373442615.db2.gz DSGAJVDPKIRNDE-GHMZBOCLSA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638609097 373442621 /nfs/dbraw/zinc/44/26/21/373442621.db2.gz DSGAJVDPKIRNDE-GHMZBOCLSA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638609209 373442757 /nfs/dbraw/zinc/44/27/57/373442757.db2.gz FMOYCHBUVWNDBY-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638609207 373443094 /nfs/dbraw/zinc/44/30/94/373443094.db2.gz FMOYCHBUVWNDBY-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638609196 373443394 /nfs/dbraw/zinc/44/33/94/373443394.db2.gz FMEIVJRFUAVJMK-CMPLNLGQSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638609196 373443400 /nfs/dbraw/zinc/44/34/00/373443400.db2.gz FMEIVJRFUAVJMK-CMPLNLGQSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638613576 373444316 /nfs/dbraw/zinc/44/43/16/373444316.db2.gz YRMAXKMKNQGFHM-NXEZZACHSA-N 2 2 270.333 -2.089 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612097 373444620 /nfs/dbraw/zinc/44/46/20/373444620.db2.gz SJDNXUICQYXALI-JQWIXIFHSA-N 2 2 286.376 -1.467 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612097 373444627 /nfs/dbraw/zinc/44/46/27/373444627.db2.gz SJDNXUICQYXALI-JQWIXIFHSA-N 2 2 286.376 -1.467 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615498 373445083 /nfs/dbraw/zinc/44/50/83/373445083.db2.gz CWQAPBDWZXWNAA-NSHDSACASA-N 2 2 286.376 -1.453 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638615498 373445092 /nfs/dbraw/zinc/44/50/92/373445092.db2.gz CWQAPBDWZXWNAA-NSHDSACASA-N 2 2 286.376 -1.453 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638611842 373445144 /nfs/dbraw/zinc/44/51/44/373445144.db2.gz QXJOCBORNYOOQC-LLVKDONJSA-N 2 2 256.350 -1.662 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC000638611842 373445156 /nfs/dbraw/zinc/44/51/56/373445156.db2.gz QXJOCBORNYOOQC-LLVKDONJSA-N 2 2 256.350 -1.662 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638611992 373445912 /nfs/dbraw/zinc/44/59/12/373445912.db2.gz RKHWJSSYJGGBST-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638611992 373445920 /nfs/dbraw/zinc/44/59/20/373445920.db2.gz RKHWJSSYJGGBST-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638611993 373446328 /nfs/dbraw/zinc/44/63/28/373446328.db2.gz RKHWJSSYJGGBST-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638611993 373446332 /nfs/dbraw/zinc/44/63/32/373446332.db2.gz RKHWJSSYJGGBST-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1COCC[NH2+]1 ZINC000638624242 373448275 /nfs/dbraw/zinc/44/82/75/373448275.db2.gz PSWRCWQEBVVMTL-VIFPVBQESA-N 2 2 256.306 -2.477 20 0 CAADLP C[C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[NH2+]1 ZINC000638653401 373453249 /nfs/dbraw/zinc/45/32/49/373453249.db2.gz FCMABKVTSCMXFU-UWVGGRQHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[NH2+]1 ZINC000638653403 373453521 /nfs/dbraw/zinc/45/35/21/373453521.db2.gz FCMABKVTSCMXFU-ZJUUUORDSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H](C(=O)NCCOCCC[NH3+])N1CC[NH2+]CC1=O ZINC000638663185 373454215 /nfs/dbraw/zinc/45/42/15/373454215.db2.gz IYXAYPLWFDDLBB-SNVBAGLBSA-N 2 2 272.349 -1.712 20 0 CAADLP CN(CCOCC[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000638680307 373459049 /nfs/dbraw/zinc/45/90/49/373459049.db2.gz PEOVMXKMBIADFX-UHFFFAOYSA-N 2 2 258.322 -2.148 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854022 373478842 /nfs/dbraw/zinc/47/88/42/373478842.db2.gz MSPJPRYYHAKHFA-GFCCVEGCSA-N 2 2 280.372 -1.029 20 0 CAADLP C[C@@H](C(=O)NCC1([NH3+])CCOCC1)N1CC[NH2+]CC1=O ZINC000638540136 373432522 /nfs/dbraw/zinc/43/25/22/373432522.db2.gz CFBYSUUHKCNZBD-JTQLQIEISA-N 2 2 284.360 -1.569 20 0 CAADLP [NH3+][C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000639023034 373495214 /nfs/dbraw/zinc/49/52/14/373495214.db2.gz RWXIOMZUTKXQKP-MGCOHNPYSA-N 2 2 254.334 -1.196 20 0 CAADLP CC(C)[N@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000129053922 373498294 /nfs/dbraw/zinc/49/82/94/373498294.db2.gz GYRDGVSPVNQCCA-UHFFFAOYSA-N 2 2 256.350 -1.044 20 0 CAADLP CC(C)[N@@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000129053922 373498302 /nfs/dbraw/zinc/49/83/02/373498302.db2.gz GYRDGVSPVNQCCA-UHFFFAOYSA-N 2 2 256.350 -1.044 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918841 373484006 /nfs/dbraw/zinc/48/40/06/373484006.db2.gz FIAKWUCXYWNBEA-AOOOYVTPSA-N 2 2 252.318 -1.619 20 0 CAADLP CNC(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765940 373588057 /nfs/dbraw/zinc/58/80/57/373588057.db2.gz WUQNMPMCGITYRU-UHFFFAOYSA-N 2 2 273.381 -1.085 20 0 CAADLP CNC(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765940 373588060 /nfs/dbraw/zinc/58/80/60/373588060.db2.gz WUQNMPMCGITYRU-UHFFFAOYSA-N 2 2 273.381 -1.085 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cnnn1 ZINC000617768455 373588814 /nfs/dbraw/zinc/58/88/14/373588814.db2.gz DXAYBJPZNNUDKD-UHFFFAOYSA-N 2 2 269.353 -1.327 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cnnn1 ZINC000617768455 373588819 /nfs/dbraw/zinc/58/88/19/373588819.db2.gz DXAYBJPZNNUDKD-UHFFFAOYSA-N 2 2 269.353 -1.327 20 0 CAADLP C[NH+](CC(O)C[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352791834 373590563 /nfs/dbraw/zinc/59/05/63/373590563.db2.gz JHGGHQALQPGABA-NDBYEHHHSA-N 2 2 290.360 -2.270 20 0 CAADLP C[NH+](CC(O)C[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352791834 373590581 /nfs/dbraw/zinc/59/05/81/373590581.db2.gz JHGGHQALQPGABA-NDBYEHHHSA-N 2 2 290.360 -2.270 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348176942 373545863 /nfs/dbraw/zinc/54/58/63/373545863.db2.gz DWFPMQHDYIDDKJ-BXUZGUMPSA-N 2 2 298.387 -1.539 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348176942 373545870 /nfs/dbraw/zinc/54/58/70/373545870.db2.gz DWFPMQHDYIDDKJ-BXUZGUMPSA-N 2 2 298.387 -1.539 20 0 CAADLP C[N@@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000583500569 373551161 /nfs/dbraw/zinc/55/11/61/373551161.db2.gz JAZLNGWKZSAEBL-SECBINFHSA-N 2 2 281.316 -1.950 20 0 CAADLP C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000583500569 373551170 /nfs/dbraw/zinc/55/11/70/373551170.db2.gz JAZLNGWKZSAEBL-SECBINFHSA-N 2 2 281.316 -1.950 20 0 CAADLP CNC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000583573382 373558535 /nfs/dbraw/zinc/55/85/35/373558535.db2.gz SCLCAUVWLUNLER-RYUDHWBXSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000583573382 373558542 /nfs/dbraw/zinc/55/85/42/373558542.db2.gz SCLCAUVWLUNLER-RYUDHWBXSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000583573382 373558549 /nfs/dbraw/zinc/55/85/49/373558549.db2.gz SCLCAUVWLUNLER-RYUDHWBXSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000583573382 373558554 /nfs/dbraw/zinc/55/85/54/373558554.db2.gz SCLCAUVWLUNLER-RYUDHWBXSA-N 2 2 273.377 -1.007 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000583559018 373559135 /nfs/dbraw/zinc/55/91/35/373559135.db2.gz LKLQEHSXJFKQBL-MNOVXSKESA-N 2 2 266.345 -1.419 20 0 CAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536548530 373561546 /nfs/dbraw/zinc/56/15/46/373561546.db2.gz JLCRIIZYVTZYIT-UONOGXRCSA-N 2 2 293.415 -1.508 20 0 CAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000536548530 373561554 /nfs/dbraw/zinc/56/15/54/373561554.db2.gz JLCRIIZYVTZYIT-UONOGXRCSA-N 2 2 293.415 -1.508 20 0 CAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000536548529 373562320 /nfs/dbraw/zinc/56/23/20/373562320.db2.gz JLCRIIZYVTZYIT-KGLIPLIRSA-N 2 2 293.415 -1.508 20 0 CAADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000536548529 373562329 /nfs/dbraw/zinc/56/23/29/373562329.db2.gz JLCRIIZYVTZYIT-KGLIPLIRSA-N 2 2 293.415 -1.508 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535266 373574186 /nfs/dbraw/zinc/57/41/86/373574186.db2.gz DZQMPTGXGMJEMX-NEPJUHHUSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351535267 373574439 /nfs/dbraw/zinc/57/44/39/373574439.db2.gz DZQMPTGXGMJEMX-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351535268 373575542 /nfs/dbraw/zinc/57/55/42/373575542.db2.gz DZQMPTGXGMJEMX-RYUDHWBXSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538440 373575559 /nfs/dbraw/zinc/57/55/59/373575559.db2.gz RDRVTSQCQVBGLW-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538440 373575570 /nfs/dbraw/zinc/57/55/70/373575570.db2.gz RDRVTSQCQVBGLW-VXGBXAGGSA-N 2 2 298.387 -1.309 20 0 CAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000351555649 373577213 /nfs/dbraw/zinc/57/72/13/373577213.db2.gz MAOHDVXAIDBLRJ-SNVBAGLBSA-N 2 2 265.317 -1.133 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000351555647 373577815 /nfs/dbraw/zinc/57/78/15/373577815.db2.gz MAOHDVXAIDBLRJ-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP CC[NH+]1CCN(C(=O)CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623935828 373628739 /nfs/dbraw/zinc/62/87/39/373628739.db2.gz ROIOUQKAXPBMOO-UHFFFAOYSA-N 2 2 280.336 -2.305 20 0 CAADLP CC[NH+]1CCN(C(=O)CNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623935828 373628755 /nfs/dbraw/zinc/62/87/55/373628755.db2.gz ROIOUQKAXPBMOO-UHFFFAOYSA-N 2 2 280.336 -2.305 20 0 CAADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000372683836 373629443 /nfs/dbraw/zinc/62/94/43/373629443.db2.gz WGGMQLXJEOGZPZ-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000372683836 373629449 /nfs/dbraw/zinc/62/94/49/373629449.db2.gz WGGMQLXJEOGZPZ-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000372683836 373629455 /nfs/dbraw/zinc/62/94/55/373629455.db2.gz WGGMQLXJEOGZPZ-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000372683836 373629461 /nfs/dbraw/zinc/62/94/61/373629461.db2.gz WGGMQLXJEOGZPZ-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP Nc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc(N)[nH+]1 ZINC000623937021 373635146 /nfs/dbraw/zinc/63/51/46/373635146.db2.gz RLTLDATWOCSVIM-DTWKUNHWSA-N 2 2 279.348 -1.268 20 0 CAADLP Cn1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000583263742 373637803 /nfs/dbraw/zinc/63/78/03/373637803.db2.gz PEGKWKNEKJUQGK-LLVKDONJSA-N 2 2 281.360 -1.841 20 0 CAADLP Cn1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000583263742 373637806 /nfs/dbraw/zinc/63/78/06/373637806.db2.gz PEGKWKNEKJUQGK-LLVKDONJSA-N 2 2 281.360 -1.841 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000583757766 373641186 /nfs/dbraw/zinc/64/11/86/373641186.db2.gz GRBZTDSLWXJSFB-LBPRGKRZSA-N 3 2 258.366 -1.680 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000583757766 373641194 /nfs/dbraw/zinc/64/11/94/373641194.db2.gz GRBZTDSLWXJSFB-LBPRGKRZSA-N 3 2 258.366 -1.680 20 0 CAADLP CN1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000584468871 373642748 /nfs/dbraw/zinc/64/27/48/373642748.db2.gz WUQJYKJMAXBKPQ-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP CN1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000584468871 373642757 /nfs/dbraw/zinc/64/27/57/373642757.db2.gz WUQJYKJMAXBKPQ-QWRGUYRKSA-N 2 2 268.361 -1.044 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCC(=O)N1CC[NH2+]CC1 ZINC000040507906 373659285 /nfs/dbraw/zinc/65/92/85/373659285.db2.gz KIRYUIZMJJWDTQ-UHFFFAOYSA-N 2 2 265.317 -1.179 20 0 CAADLP C[N@H+](CCN1C(=O)CCC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640049016 373649312 /nfs/dbraw/zinc/64/93/12/373649312.db2.gz HFRZNYNHWVWAAP-UHFFFAOYSA-N 2 2 296.371 -1.159 20 0 CAADLP C[N@@H+](CCN1C(=O)CCC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640049016 373649320 /nfs/dbraw/zinc/64/93/20/373649320.db2.gz HFRZNYNHWVWAAP-UHFFFAOYSA-N 2 2 296.371 -1.159 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)Cn1cccn1 ZINC000640060090 373650331 /nfs/dbraw/zinc/65/03/31/373650331.db2.gz ZRNQRALFFSCABD-CYBMUJFWSA-N 2 2 295.387 -1.050 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)Cn1cccn1 ZINC000640060090 373650337 /nfs/dbraw/zinc/65/03/37/373650337.db2.gz ZRNQRALFFSCABD-CYBMUJFWSA-N 2 2 295.387 -1.050 20 0 CAADLP C[N@H+](CCN1CCNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640051479 373650408 /nfs/dbraw/zinc/65/04/08/373650408.db2.gz NWZHWGMADXBNSS-UHFFFAOYSA-N 2 2 283.376 -1.283 20 0 CAADLP C[N@@H+](CCN1CCNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640051479 373650415 /nfs/dbraw/zinc/65/04/15/373650415.db2.gz NWZHWGMADXBNSS-UHFFFAOYSA-N 2 2 283.376 -1.283 20 0 CAADLP CC[C@H](C(N)=O)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059046 373650792 /nfs/dbraw/zinc/65/07/92/373650792.db2.gz OIMYCXTYCAUTBQ-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP CC[C@H](C(N)=O)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059046 373650797 /nfs/dbraw/zinc/65/07/97/373650797.db2.gz OIMYCXTYCAUTBQ-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000563960721 373597815 /nfs/dbraw/zinc/59/78/15/373597815.db2.gz VPZLTNRHSCQYDQ-GRYCIOLGSA-N 2 2 299.371 -1.195 20 0 CAADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000563960721 373597823 /nfs/dbraw/zinc/59/78/23/373597823.db2.gz VPZLTNRHSCQYDQ-GRYCIOLGSA-N 2 2 299.371 -1.195 20 0 CAADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563958341 373597878 /nfs/dbraw/zinc/59/78/78/373597878.db2.gz QWJFIIRDAWEAOE-MNOVXSKESA-N 2 2 266.345 -1.229 20 0 CAADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563958341 373597883 /nfs/dbraw/zinc/59/78/83/373597883.db2.gz QWJFIIRDAWEAOE-MNOVXSKESA-N 2 2 266.345 -1.229 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643472972 373655761 /nfs/dbraw/zinc/65/57/61/373655761.db2.gz YWSAUJXULVTKHW-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353083045 373601111 /nfs/dbraw/zinc/60/11/11/373601111.db2.gz CYYCIEXIHMCUSV-WDEREUQCSA-N 2 2 286.376 -1.338 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639852631 373616244 /nfs/dbraw/zinc/61/62/44/373616244.db2.gz VCWPFOVDOWZCLI-AAEUAGOBSA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639852631 373616254 /nfs/dbraw/zinc/61/62/54/373616254.db2.gz VCWPFOVDOWZCLI-AAEUAGOBSA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639852632 373616375 /nfs/dbraw/zinc/61/63/75/373616375.db2.gz VCWPFOVDOWZCLI-DGCLKSJQSA-N 2 2 271.361 -1.422 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639852632 373616380 /nfs/dbraw/zinc/61/63/80/373616380.db2.gz VCWPFOVDOWZCLI-DGCLKSJQSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCn2cncn2)[C@@H](C[NH3+])C1 ZINC000122634503 373717237 /nfs/dbraw/zinc/71/72/37/373717237.db2.gz GOLRKGOZBQQSRE-JTQLQIEISA-N 2 2 252.322 -1.231 20 0 CAADLP C[N@H+]1CCN(C(=O)CCn2cncn2)[C@@H](C[NH3+])C1 ZINC000122634503 373717243 /nfs/dbraw/zinc/71/72/43/373717243.db2.gz GOLRKGOZBQQSRE-JTQLQIEISA-N 2 2 252.322 -1.231 20 0 CAADLP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000627385383 373664853 /nfs/dbraw/zinc/66/48/53/373664853.db2.gz IZRCOHONQKWQGA-NSHDSACASA-N 2 2 297.359 -1.260 20 0 CAADLP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000623942765 373675583 /nfs/dbraw/zinc/67/55/83/373675583.db2.gz SIBTVCUYCVXQRU-YUMQZZPRSA-N 2 2 267.337 -1.360 20 0 CAADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])S(C)(=O)=O ZINC000571796594 373675631 /nfs/dbraw/zinc/67/56/31/373675631.db2.gz FADALROLHXOENC-VIFPVBQESA-N 2 2 278.378 -2.021 20 0 CAADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])S(C)(=O)=O ZINC000571796594 373675637 /nfs/dbraw/zinc/67/56/37/373675637.db2.gz FADALROLHXOENC-VIFPVBQESA-N 2 2 278.378 -2.021 20 0 CAADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])S(C)(=O)=O ZINC000571796593 373675937 /nfs/dbraw/zinc/67/59/37/373675937.db2.gz FADALROLHXOENC-SECBINFHSA-N 2 2 278.378 -2.021 20 0 CAADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])S(C)(=O)=O ZINC000571796593 373675944 /nfs/dbraw/zinc/67/59/44/373675944.db2.gz FADALROLHXOENC-SECBINFHSA-N 2 2 278.378 -2.021 20 0 CAADLP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000572880701 373677982 /nfs/dbraw/zinc/67/79/82/373677982.db2.gz KCFZUUFBRWASNG-QNWHQSFQSA-N 2 2 275.393 -1.374 20 0 CAADLP Cn1nnc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000571802498 373678024 /nfs/dbraw/zinc/67/80/24/373678024.db2.gz UHHCLCQBODZDQG-LLVKDONJSA-N 2 2 293.375 -1.146 20 0 CAADLP Cn1nnc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000571802498 373678029 /nfs/dbraw/zinc/67/80/29/373678029.db2.gz UHHCLCQBODZDQG-LLVKDONJSA-N 2 2 293.375 -1.146 20 0 CAADLP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000572880700 373678252 /nfs/dbraw/zinc/67/82/52/373678252.db2.gz KCFZUUFBRWASNG-NDBYEHHHSA-N 2 2 275.393 -1.374 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000423624597 373693209 /nfs/dbraw/zinc/69/32/09/373693209.db2.gz DIEZDEXQOUZEAO-MNOVXSKESA-N 2 2 268.361 -1.031 20 0 CAADLP O[C@H](C[NH+]1C[C@H]2C[C@@]2(O)C1)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640484175 373773611 /nfs/dbraw/zinc/77/36/11/373773611.db2.gz ZEMXQEPTQBKQRE-YOTBANQPSA-N 2 2 254.330 -1.520 20 0 CAADLP O[C@H](C[NH+]1C[C@H]2C[C@@]2(O)C1)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640484175 373773618 /nfs/dbraw/zinc/77/36/18/373773618.db2.gz ZEMXQEPTQBKQRE-YOTBANQPSA-N 2 2 254.330 -1.520 20 0 CAADLP O[C@@H](C[NH+]1C[C@@H]2C[C@]2(O)C1)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640484175 373773623 /nfs/dbraw/zinc/77/36/23/373773623.db2.gz ZEMXQEPTQBKQRE-YOTBANQPSA-N 2 2 254.330 -1.520 20 0 CAADLP O[C@@H](C[NH+]1C[C@@H]2C[C@]2(O)C1)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640484175 373773632 /nfs/dbraw/zinc/77/36/32/373773632.db2.gz ZEMXQEPTQBKQRE-YOTBANQPSA-N 2 2 254.330 -1.520 20 0 CAADLP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626918273 373729266 /nfs/dbraw/zinc/72/92/66/373729266.db2.gz WOVSACKINKWNPS-GFCCVEGCSA-N 2 2 286.376 -1.004 20 0 CAADLP CNS(=O)(=O)CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430630893 373739060 /nfs/dbraw/zinc/73/90/60/373739060.db2.gz SWVRAGJLRGTCIT-UHFFFAOYSA-N 2 2 292.405 -1.711 20 0 CAADLP CNS(=O)(=O)CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430630893 373739064 /nfs/dbraw/zinc/73/90/64/373739064.db2.gz SWVRAGJLRGTCIT-UHFFFAOYSA-N 2 2 292.405 -1.711 20 0 CAADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000242942518 373766638 /nfs/dbraw/zinc/76/66/38/373766638.db2.gz HCIKWIQKBUQBPX-UHFFFAOYSA-N 2 2 270.377 -1.318 20 0 CAADLP C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641425413 373803989 /nfs/dbraw/zinc/80/39/89/373803989.db2.gz JGBJEOSQINTNJZ-LLVKDONJSA-N 2 2 288.373 -1.131 20 0 CAADLP C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641425413 373803993 /nfs/dbraw/zinc/80/39/93/373803993.db2.gz JGBJEOSQINTNJZ-LLVKDONJSA-N 2 2 288.373 -1.131 20 0 CAADLP C[NH+](C)[C@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000641506310 373806106 /nfs/dbraw/zinc/80/61/06/373806106.db2.gz ZANZTUJGDLBACT-QWRGUYRKSA-N 2 2 288.373 -1.180 20 0 CAADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H](CO)C1 ZINC000641621409 373810347 /nfs/dbraw/zinc/81/03/47/373810347.db2.gz PZEHMFVIUIGNHZ-LLVKDONJSA-N 2 2 288.373 -1.179 20 0 CAADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H](CO)C1 ZINC000641621409 373810352 /nfs/dbraw/zinc/81/03/52/373810352.db2.gz PZEHMFVIUIGNHZ-LLVKDONJSA-N 2 2 288.373 -1.179 20 0 CAADLP CC[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000152925843 373818885 /nfs/dbraw/zinc/81/88/85/373818885.db2.gz SUKOEPBWOAZQJX-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623600683 373825171 /nfs/dbraw/zinc/82/51/71/373825171.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623600683 373825177 /nfs/dbraw/zinc/82/51/77/373825177.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623600683 373825184 /nfs/dbraw/zinc/82/51/84/373825184.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623600683 373825192 /nfs/dbraw/zinc/82/51/92/373825192.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 2 299.419 -1.138 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626972928 373828384 /nfs/dbraw/zinc/82/83/84/373828384.db2.gz RDACCWVTNJHDSP-STQMWFEESA-N 2 2 299.419 -1.090 20 0 CAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629577614 373778300 /nfs/dbraw/zinc/77/83/00/373778300.db2.gz RIPLPBCUMLMQCP-JTQLQIEISA-N 2 2 265.379 -1.418 20 0 CAADLP OC[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629596579 373778690 /nfs/dbraw/zinc/77/86/90/373778690.db2.gz SBJAABUICVPPGQ-KGLIPLIRSA-N 2 2 287.404 -1.274 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000629606337 373778863 /nfs/dbraw/zinc/77/88/63/373778863.db2.gz FWEVROGLLOMKDY-VXGBXAGGSA-N 2 2 287.360 -1.874 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000629606336 373779338 /nfs/dbraw/zinc/77/93/38/373779338.db2.gz FWEVROGLLOMKDY-RYUDHWBXSA-N 2 2 287.360 -1.874 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000627065543 373837133 /nfs/dbraw/zinc/83/71/33/373837133.db2.gz CAPLDELTWGIMQA-GFCCVEGCSA-N 2 2 285.392 -1.479 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000627065543 373837140 /nfs/dbraw/zinc/83/71/40/373837140.db2.gz CAPLDELTWGIMQA-GFCCVEGCSA-N 2 2 285.392 -1.479 20 0 CAADLP C[NH2+]CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607135 373780645 /nfs/dbraw/zinc/78/06/45/373780645.db2.gz PTRHHRAQEAHKII-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606436 373780694 /nfs/dbraw/zinc/78/06/94/373780694.db2.gz DLCJOIDPXDOQDM-NWDGAFQWSA-N 2 2 273.377 -1.007 20 0 CAADLP COC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629607260 373780771 /nfs/dbraw/zinc/78/07/71/373780771.db2.gz QDBJBUWGSICHBP-QWRGUYRKSA-N 2 2 259.350 -1.077 20 0 CAADLP COC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629607260 373780775 /nfs/dbraw/zinc/78/07/75/373780775.db2.gz QDBJBUWGSICHBP-QWRGUYRKSA-N 2 2 259.350 -1.077 20 0 CAADLP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606438 373781034 /nfs/dbraw/zinc/78/10/34/373781034.db2.gz DLCJOIDPXDOQDM-VXGBXAGGSA-N 2 2 273.377 -1.007 20 0 CAADLP C[NH2+][C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606887 373781405 /nfs/dbraw/zinc/78/14/05/373781405.db2.gz OOBKUOSQWGOJJZ-QWRGUYRKSA-N 2 2 259.350 -1.254 20 0 CAADLP CC[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607934 373781837 /nfs/dbraw/zinc/78/18/37/373781837.db2.gz SUKOEPBWOAZQJX-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000629607401 373782027 /nfs/dbraw/zinc/78/20/27/373782027.db2.gz STJCXXSZAFWSIV-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH2+]CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607136 373782217 /nfs/dbraw/zinc/78/22/17/373782217.db2.gz PTRHHRAQEAHKII-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000629819445 373790267 /nfs/dbraw/zinc/79/02/67/373790267.db2.gz LEZJAZRMORQKRR-UHFFFAOYSA-N 2 2 272.349 -1.806 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629913608 373790966 /nfs/dbraw/zinc/79/09/66/373790966.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629913608 373790971 /nfs/dbraw/zinc/79/09/71/373790971.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629913608 373790974 /nfs/dbraw/zinc/79/09/74/373790974.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913608 373790978 /nfs/dbraw/zinc/79/09/78/373790978.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H]([C@H](C)NC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCOCC1 ZINC000167696153 373795336 /nfs/dbraw/zinc/79/53/36/373795336.db2.gz ZTBUMDZHPJHEEA-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249679 373886498 /nfs/dbraw/zinc/88/64/98/373886498.db2.gz YNNIEAPEFXSQPW-NEPJUHHUSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627103214 373841542 /nfs/dbraw/zinc/84/15/42/373841542.db2.gz GMUKSPIIHWPFNQ-WDEREUQCSA-N 2 2 272.349 -1.395 20 0 CAADLP C[NH2+]CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627171552 373843440 /nfs/dbraw/zinc/84/34/40/373843440.db2.gz YQIIWNAWIJETCR-NSHDSACASA-N 3 2 273.381 -1.493 20 0 CAADLP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627171552 373843444 /nfs/dbraw/zinc/84/34/44/373843444.db2.gz YQIIWNAWIJETCR-NSHDSACASA-N 3 2 273.381 -1.493 20 0 CAADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000627156335 373843523 /nfs/dbraw/zinc/84/35/23/373843523.db2.gz CUKBQRAIWQGRAL-GUBZILKMSA-N 2 2 269.349 -1.465 20 0 CAADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000627156335 373843528 /nfs/dbraw/zinc/84/35/28/373843528.db2.gz CUKBQRAIWQGRAL-GUBZILKMSA-N 2 2 269.349 -1.465 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@H](C[NH3+])C1 ZINC000627148399 373844037 /nfs/dbraw/zinc/84/40/37/373844037.db2.gz WLDDOZCPONUJDB-LLVKDONJSA-N 3 2 285.392 -1.221 20 0 CAADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@H](C[NH3+])C1 ZINC000627148399 373844051 /nfs/dbraw/zinc/84/40/51/373844051.db2.gz WLDDOZCPONUJDB-LLVKDONJSA-N 3 2 285.392 -1.221 20 0 CAADLP CN1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000627184446 373845131 /nfs/dbraw/zinc/84/51/31/373845131.db2.gz YFWURXHYRCHKAX-NEPJUHHUSA-N 2 2 285.392 -1.399 20 0 CAADLP CN1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000627184446 373845133 /nfs/dbraw/zinc/84/51/33/373845133.db2.gz YFWURXHYRCHKAX-NEPJUHHUSA-N 2 2 285.392 -1.399 20 0 CAADLP CN1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000627184448 373845149 /nfs/dbraw/zinc/84/51/49/373845149.db2.gz YFWURXHYRCHKAX-RYUDHWBXSA-N 2 2 285.392 -1.399 20 0 CAADLP CN1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000627184448 373845150 /nfs/dbraw/zinc/84/51/50/373845150.db2.gz YFWURXHYRCHKAX-RYUDHWBXSA-N 2 2 285.392 -1.399 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627182886 373845220 /nfs/dbraw/zinc/84/52/20/373845220.db2.gz DVPZIMMFALHZRT-WDEREUQCSA-N 2 2 272.349 -1.314 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627182886 373845223 /nfs/dbraw/zinc/84/52/23/373845223.db2.gz DVPZIMMFALHZRT-WDEREUQCSA-N 2 2 272.349 -1.314 20 0 CAADLP [NH3+]CCCOCCNC(=O)NCC[NH+]1CCOCC1 ZINC000627207842 373851060 /nfs/dbraw/zinc/85/10/60/373851060.db2.gz DFWBJSPIVWVXJX-UHFFFAOYSA-N 2 2 274.365 -1.017 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCCOCCC[NH3+])[C@H](C[NH3+])C1 ZINC000627219436 373853202 /nfs/dbraw/zinc/85/32/02/373853202.db2.gz WQHPYZGYKXHKPB-LLVKDONJSA-N 3 2 273.381 -1.364 20 0 CAADLP C[N@H+]1CCN(C(=O)NCCOCCC[NH3+])[C@H](C[NH3+])C1 ZINC000627219436 373853206 /nfs/dbraw/zinc/85/32/06/373853206.db2.gz WQHPYZGYKXHKPB-LLVKDONJSA-N 3 2 273.381 -1.364 20 0 CAADLP [NH3+]CC(=O)NCC(=O)NCCNc1cccc[nH+]1 ZINC000566172045 373943965 /nfs/dbraw/zinc/94/39/65/373943965.db2.gz XJRHPYMDNMRGSN-UHFFFAOYSA-N 2 2 251.290 -1.315 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccn2)[C@@H](C[NH3+])C1 ZINC000566200736 373944299 /nfs/dbraw/zinc/94/42/99/373944299.db2.gz ZLSCHALQFGGHGB-NSHDSACASA-N 2 2 291.355 -1.087 20 0 CAADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccn2)[C@@H](C[NH3+])C1 ZINC000566200736 373944312 /nfs/dbraw/zinc/94/43/12/373944312.db2.gz ZLSCHALQFGGHGB-NSHDSACASA-N 2 2 291.355 -1.087 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566351471 373945373 /nfs/dbraw/zinc/94/53/73/373945373.db2.gz KNHTWMKRRKZOGW-TZMCWYRMSA-N 3 2 284.404 -1.147 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566351471 373945378 /nfs/dbraw/zinc/94/53/78/373945378.db2.gz KNHTWMKRRKZOGW-TZMCWYRMSA-N 3 2 284.404 -1.147 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000566243912 373945618 /nfs/dbraw/zinc/94/56/18/373945618.db2.gz SZPBKUZKVIDKAV-SNVBAGLBSA-N 2 2 273.333 -1.333 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000566243912 373945624 /nfs/dbraw/zinc/94/56/24/373945624.db2.gz SZPBKUZKVIDKAV-SNVBAGLBSA-N 2 2 273.333 -1.333 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566351469 373946527 /nfs/dbraw/zinc/94/65/27/373946527.db2.gz KNHTWMKRRKZOGW-JSGCOSHPSA-N 3 2 284.404 -1.147 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566351469 373946536 /nfs/dbraw/zinc/94/65/36/373946536.db2.gz KNHTWMKRRKZOGW-JSGCOSHPSA-N 3 2 284.404 -1.147 20 0 CAADLP O=C(C[NH2+]C(CO)CO)N1CC[NH+](Cc2ccco2)CC1 ZINC000566423364 373948506 /nfs/dbraw/zinc/94/85/06/373948506.db2.gz LSJVAYDNUXQNTM-UHFFFAOYSA-N 2 2 297.355 -1.133 20 0 CAADLP CN1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000566614115 373949212 /nfs/dbraw/zinc/94/92/12/373949212.db2.gz MVEZYVRNGMXHSE-LLVKDONJSA-N 2 2 283.376 -2.138 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000566854464 373951316 /nfs/dbraw/zinc/95/13/16/373951316.db2.gz PXQRKUYBVHYKSD-WDEREUQCSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000566854464 373951319 /nfs/dbraw/zinc/95/13/19/373951319.db2.gz PXQRKUYBVHYKSD-WDEREUQCSA-N 3 2 256.350 -1.534 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H](C[NH3+])C1CC1 ZINC000566620022 373951713 /nfs/dbraw/zinc/95/17/13/373951713.db2.gz XOZIRJOXYWMGJD-JTQLQIEISA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@@H]2C1 ZINC000567046772 373954132 /nfs/dbraw/zinc/95/41/32/373954132.db2.gz UWTKQANNUZBLBZ-NWDGAFQWSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@@H]2C1 ZINC000567046772 373954139 /nfs/dbraw/zinc/95/41/39/373954139.db2.gz UWTKQANNUZBLBZ-NWDGAFQWSA-N 2 2 280.372 -1.029 20 0 CAADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000567413952 373955633 /nfs/dbraw/zinc/95/56/33/373955633.db2.gz VEJGEFBRULRXRW-QWHCGFSZSA-N 2 2 283.372 -1.014 20 0 CAADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000567413951 373955862 /nfs/dbraw/zinc/95/58/62/373955862.db2.gz VEJGEFBRULRXRW-CHWSQXEVSA-N 2 2 283.372 -1.014 20 0 CAADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000567470043 373957021 /nfs/dbraw/zinc/95/70/21/373957021.db2.gz JMCCYVJLLCTLAQ-JTQLQIEISA-N 2 2 268.361 -1.078 20 0 CAADLP OC[C@H](C[NH+]1CCCC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000567873466 373960884 /nfs/dbraw/zinc/96/08/84/373960884.db2.gz WPVWRIHHKJZGAY-KBPBESRZSA-N 2 2 287.404 -1.274 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@](C)(O)CO)C[C@H](C)O1 ZINC000567876982 373961000 /nfs/dbraw/zinc/96/10/00/373961000.db2.gz DHTLIYJUFNEVJR-YVECIDJPSA-N 2 2 276.377 -1.211 20 0 CAADLP C[C@H]([NH2+]C1CC1)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000567822263 373961199 /nfs/dbraw/zinc/96/11/99/373961199.db2.gz AXKNIEFLSTXMJP-NSHDSACASA-N 2 2 298.387 -1.309 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000129074598 373904598 /nfs/dbraw/zinc/90/45/98/373904598.db2.gz SZPLRSYFAPGYLC-LLVKDONJSA-N 2 2 259.350 -1.301 20 0 CAADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CN1CC[NH2+]CC1=O ZINC000567838070 373962272 /nfs/dbraw/zinc/96/22/72/373962272.db2.gz LCMGZXJVQVQWHN-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC[NH+]1CCOCC1 ZINC000630397580 373910906 /nfs/dbraw/zinc/91/09/06/373910906.db2.gz YOERIZRBVRVZHC-GFCCVEGCSA-N 2 2 286.376 -1.316 20 0 CAADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC[NH+]1CCOCC1 ZINC000630397580 373910909 /nfs/dbraw/zinc/91/09/09/373910909.db2.gz YOERIZRBVRVZHC-GFCCVEGCSA-N 2 2 286.376 -1.316 20 0 CAADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000545127231 373914412 /nfs/dbraw/zinc/91/44/12/373914412.db2.gz USNBYINHOIBHJA-CYBMUJFWSA-N 2 2 286.376 -1.316 20 0 CAADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000545127231 373914417 /nfs/dbraw/zinc/91/44/17/373914417.db2.gz USNBYINHOIBHJA-CYBMUJFWSA-N 2 2 286.376 -1.316 20 0 CAADLP Cn1nnnc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000554817265 373926325 /nfs/dbraw/zinc/92/63/25/373926325.db2.gz GZDZXPYTHUXZNR-UHFFFAOYSA-N 2 2 281.364 -1.194 20 0 CAADLP Cn1nnnc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000554817265 373926333 /nfs/dbraw/zinc/92/63/33/373926333.db2.gz GZDZXPYTHUXZNR-UHFFFAOYSA-N 2 2 281.364 -1.194 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@H+](CC[NH3+])CCO ZINC000564985140 373933190 /nfs/dbraw/zinc/93/31/90/373933190.db2.gz YLAMPMPORNFTOZ-UHFFFAOYSA-N 2 2 261.322 -1.739 20 0 CAADLP COC(=O)CN(C)C(=O)CC[N@@H+](CC[NH3+])CCO ZINC000564985140 373933193 /nfs/dbraw/zinc/93/31/93/373933193.db2.gz YLAMPMPORNFTOZ-UHFFFAOYSA-N 2 2 261.322 -1.739 20 0 CAADLP Cn1cnn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000564944464 373933349 /nfs/dbraw/zinc/93/33/49/373933349.db2.gz XHBIOJMTEHAJPR-VIFPVBQESA-N 2 2 268.321 -2.317 20 0 CAADLP Cn1cnn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000564944464 373933352 /nfs/dbraw/zinc/93/33/52/373933352.db2.gz XHBIOJMTEHAJPR-VIFPVBQESA-N 2 2 268.321 -2.317 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000565099145 373933410 /nfs/dbraw/zinc/93/34/10/373933410.db2.gz QYJJQZRKZRCJJP-LBPRGKRZSA-N 2 2 259.350 -1.253 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000565099145 373933416 /nfs/dbraw/zinc/93/34/16/373933416.db2.gz QYJJQZRKZRCJJP-LBPRGKRZSA-N 2 2 259.350 -1.253 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000565361751 373936232 /nfs/dbraw/zinc/93/62/32/373936232.db2.gz BGUAAIHQCIESDY-RYUDHWBXSA-N 3 2 297.403 -1.654 20 0 CAADLP C[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000565361751 373936240 /nfs/dbraw/zinc/93/62/40/373936240.db2.gz BGUAAIHQCIESDY-RYUDHWBXSA-N 3 2 297.403 -1.654 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000565361747 373936271 /nfs/dbraw/zinc/93/62/71/373936271.db2.gz BGUAAIHQCIESDY-NEPJUHHUSA-N 3 2 297.403 -1.654 20 0 CAADLP C[N@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000565361747 373936279 /nfs/dbraw/zinc/93/62/79/373936279.db2.gz BGUAAIHQCIESDY-NEPJUHHUSA-N 3 2 297.403 -1.654 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000565478438 373939214 /nfs/dbraw/zinc/93/92/14/373939214.db2.gz RUDPILCTUYZMMW-UHFFFAOYSA-N 2 2 284.360 -1.791 20 0 CAADLP CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578906383 373995274 /nfs/dbraw/zinc/99/52/74/373995274.db2.gz NVOOLAOGQMDFNE-IUCAKERBSA-N 2 2 283.332 -1.924 20 0 CAADLP CN(C)c1nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(=O)[nH]1 ZINC000578986264 373995518 /nfs/dbraw/zinc/99/55/18/373995518.db2.gz SEPRYMDFCHUZRQ-VIFPVBQESA-N 2 2 294.359 -1.037 20 0 CAADLP C[N@H+]1CCN(C(=O)CNC(=O)C2CC2)[C@@H](C[NH3+])C1 ZINC000578889138 373995539 /nfs/dbraw/zinc/99/55/39/373995539.db2.gz BSNYVCCDXYPDSL-JTQLQIEISA-N 2 2 254.334 -1.386 20 0 CAADLP CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578906379 373995762 /nfs/dbraw/zinc/99/57/62/373995762.db2.gz NVOOLAOGQMDFNE-BDAKNGLRSA-N 2 2 283.332 -1.924 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995799 /nfs/dbraw/zinc/99/57/99/373995799.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995802 /nfs/dbraw/zinc/99/58/02/373995802.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995806 /nfs/dbraw/zinc/99/58/06/373995806.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995810 /nfs/dbraw/zinc/99/58/10/373995810.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 3 2 299.419 -1.009 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC[NH3+] ZINC000579003583 373997837 /nfs/dbraw/zinc/99/78/37/373997837.db2.gz LZRLOMUTLAISNK-UHFFFAOYSA-N 2 2 273.333 -1.331 20 0 CAADLP CN1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579215910 373998753 /nfs/dbraw/zinc/99/87/53/373998753.db2.gz OKPVMLQHTVWRRD-VHSXEESVSA-N 2 2 269.349 -1.499 20 0 CAADLP CN1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579215910 373998757 /nfs/dbraw/zinc/99/87/57/373998757.db2.gz OKPVMLQHTVWRRD-VHSXEESVSA-N 2 2 269.349 -1.499 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000579354913 374000853 /nfs/dbraw/zinc/00/08/53/374000853.db2.gz ILHAIZVCXMZLEV-MNOVXSKESA-N 2 2 283.376 -1.122 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000579354913 374000858 /nfs/dbraw/zinc/00/08/58/374000858.db2.gz ILHAIZVCXMZLEV-MNOVXSKESA-N 2 2 283.376 -1.122 20 0 CAADLP CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000579489517 374001094 /nfs/dbraw/zinc/00/10/94/374001094.db2.gz WEMMHTCVPKLWBT-RYUDHWBXSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000579489517 374001102 /nfs/dbraw/zinc/00/11/02/374001102.db2.gz WEMMHTCVPKLWBT-RYUDHWBXSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000579489517 374001109 /nfs/dbraw/zinc/00/11/09/374001109.db2.gz WEMMHTCVPKLWBT-RYUDHWBXSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000579489517 374001117 /nfs/dbraw/zinc/00/11/17/374001117.db2.gz WEMMHTCVPKLWBT-RYUDHWBXSA-N 2 2 288.392 -1.071 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579474825 374001146 /nfs/dbraw/zinc/00/11/46/374001146.db2.gz PSRYQLZWPWIEQU-JQWIXIFHSA-N 3 2 285.392 -1.813 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579474825 374001150 /nfs/dbraw/zinc/00/11/50/374001150.db2.gz PSRYQLZWPWIEQU-JQWIXIFHSA-N 3 2 285.392 -1.813 20 0 CAADLP [NH3+]CCOCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000579593322 374002972 /nfs/dbraw/zinc/00/29/72/374002972.db2.gz CEBDBAIGGAQWJV-VIFPVBQESA-N 2 2 256.306 -2.396 20 0 CAADLP [NH3+]CCOCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000579593322 374002977 /nfs/dbraw/zinc/00/29/77/374002977.db2.gz CEBDBAIGGAQWJV-VIFPVBQESA-N 2 2 256.306 -2.396 20 0 CAADLP COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579853318 374005438 /nfs/dbraw/zinc/00/54/38/374005438.db2.gz MBAWHIJJWCUPLJ-VHSXEESVSA-N 2 2 298.343 -2.091 20 0 CAADLP COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579853318 374005442 /nfs/dbraw/zinc/00/54/42/374005442.db2.gz MBAWHIJJWCUPLJ-VHSXEESVSA-N 2 2 298.343 -2.091 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000579955953 374007864 /nfs/dbraw/zinc/00/78/64/374007864.db2.gz QDUCZWFVSVKCPD-LLVKDONJSA-N 2 2 286.376 -1.371 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000579955953 374007868 /nfs/dbraw/zinc/00/78/68/374007868.db2.gz QDUCZWFVSVKCPD-LLVKDONJSA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000193567452 374008429 /nfs/dbraw/zinc/00/84/29/374008429.db2.gz PRTDVFDLDDLDQE-PWSUYJOCSA-N 2 2 268.361 -1.125 20 0 CAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580768547 374008475 /nfs/dbraw/zinc/00/84/75/374008475.db2.gz RYXZWUNBEAWDSV-TXEJJXNPSA-N 2 2 292.383 -1.029 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568166858 373967239 /nfs/dbraw/zinc/96/72/39/373967239.db2.gz VTBMVEOCNBZOBS-KBPBESRZSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568166858 373967246 /nfs/dbraw/zinc/96/72/46/373967246.db2.gz VTBMVEOCNBZOBS-KBPBESRZSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000568166858 373967255 /nfs/dbraw/zinc/96/72/55/373967255.db2.gz VTBMVEOCNBZOBS-KBPBESRZSA-N 2 2 287.404 -1.058 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000568166858 373967260 /nfs/dbraw/zinc/96/72/60/373967260.db2.gz VTBMVEOCNBZOBS-KBPBESRZSA-N 2 2 287.404 -1.058 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267193 373970313 /nfs/dbraw/zinc/97/03/13/373970313.db2.gz CDJJXRKZWWLMPT-UTLUCORTSA-N 2 2 254.334 -1.293 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267193 373970319 /nfs/dbraw/zinc/97/03/19/373970319.db2.gz CDJJXRKZWWLMPT-UTLUCORTSA-N 2 2 254.334 -1.293 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267192 373970564 /nfs/dbraw/zinc/97/05/64/373970564.db2.gz CDJJXRKZWWLMPT-OPRDCNLKSA-N 2 2 254.334 -1.293 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267192 373970568 /nfs/dbraw/zinc/97/05/68/373970568.db2.gz CDJJXRKZWWLMPT-OPRDCNLKSA-N 2 2 254.334 -1.293 20 0 CAADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000568630392 373971403 /nfs/dbraw/zinc/97/14/03/373971403.db2.gz JWHNBURXKJELJY-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000568630392 373971411 /nfs/dbraw/zinc/97/14/11/373971411.db2.gz JWHNBURXKJELJY-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP COCCOCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568769328 373971703 /nfs/dbraw/zinc/97/17/03/373971703.db2.gz FUOXYVNNPGLXDU-GHMZBOCLSA-N 2 2 257.334 -1.107 20 0 CAADLP COCCOCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568769333 373971869 /nfs/dbraw/zinc/97/18/69/373971869.db2.gz FUOXYVNNPGLXDU-MNOVXSKESA-N 2 2 257.334 -1.107 20 0 CAADLP COCCOCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568769334 373972113 /nfs/dbraw/zinc/97/21/13/373972113.db2.gz FUOXYVNNPGLXDU-QWRGUYRKSA-N 2 2 257.334 -1.107 20 0 CAADLP [NH3+]CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)F ZINC000568999637 373973961 /nfs/dbraw/zinc/97/39/61/373973961.db2.gz OXYOHCLRXZYWNJ-ZETCQYMHSA-N 2 2 264.276 -1.483 20 0 CAADLP CC(C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000568966816 373974583 /nfs/dbraw/zinc/97/45/83/373974583.db2.gz BXVQJBCRAOBCMC-LBPRGKRZSA-N 2 2 298.387 -1.453 20 0 CAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000572618773 373976922 /nfs/dbraw/zinc/97/69/22/373976922.db2.gz JQQIYQCRLXYPSM-JTQLQIEISA-N 2 2 266.345 -1.229 20 0 CAADLP CC(=O)N1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000572958843 373977488 /nfs/dbraw/zinc/97/74/88/373977488.db2.gz NEXMESZPEKQXPR-VXGBXAGGSA-N 2 2 268.361 -1.044 20 0 CAADLP CC(=O)N1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000572958843 373977492 /nfs/dbraw/zinc/97/74/92/373977492.db2.gz NEXMESZPEKQXPR-VXGBXAGGSA-N 2 2 268.361 -1.044 20 0 CAADLP CCOCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572618048 373977917 /nfs/dbraw/zinc/97/79/17/373977917.db2.gz PLHUDKLTPRGYLB-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP CCOCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572618048 373977929 /nfs/dbraw/zinc/97/79/29/373977929.db2.gz PLHUDKLTPRGYLB-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP CN1CC(=O)N(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000572842588 373978238 /nfs/dbraw/zinc/97/82/38/373978238.db2.gz LQYVNKHGAATORO-SECBINFHSA-N 2 2 283.332 -2.018 20 0 CAADLP CN1CC(=O)N(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000572842588 373978242 /nfs/dbraw/zinc/97/82/42/373978242.db2.gz LQYVNKHGAATORO-SECBINFHSA-N 2 2 283.332 -2.018 20 0 CAADLP COCC1(CNC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]CC1 ZINC000574156473 373983754 /nfs/dbraw/zinc/98/37/54/373983754.db2.gz ZZGGEVSNFLNMCR-UHFFFAOYSA-N 2 2 298.387 -1.449 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574055395 373984548 /nfs/dbraw/zinc/98/45/48/373984548.db2.gz WDEOQECZZODSAQ-GUBZILKMSA-N 2 2 297.359 -1.536 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574055395 373984553 /nfs/dbraw/zinc/98/45/53/373984553.db2.gz WDEOQECZZODSAQ-GUBZILKMSA-N 2 2 297.359 -1.536 20 0 CAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000577943089 373988613 /nfs/dbraw/zinc/98/86/13/373988613.db2.gz YDXNTKFQFOIMNV-PHIMTYICSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000577943089 373988620 /nfs/dbraw/zinc/98/86/20/373988620.db2.gz YDXNTKFQFOIMNV-PHIMTYICSA-N 2 2 298.387 -1.358 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]2CCC1CC2 ZINC000577951522 373989491 /nfs/dbraw/zinc/98/94/91/373989491.db2.gz XPTSYKNGYIDNTI-UHFFFAOYSA-N 2 2 266.345 -1.275 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578355104 373991776 /nfs/dbraw/zinc/99/17/76/373991776.db2.gz XFRGXGWHWKLJTD-LBPRGKRZSA-N 2 2 295.387 -2.076 20 0 CAADLP CN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000578497688 373993120 /nfs/dbraw/zinc/99/31/20/373993120.db2.gz VLPMBZKDXHMNOU-RYUDHWBXSA-N 2 2 296.371 -1.916 20 0 CAADLP CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000405322281 374055995 /nfs/dbraw/zinc/05/59/95/374055995.db2.gz QEDRADOSZQOYDK-LLVKDONJSA-N 2 2 279.406 -1.078 20 0 CAADLP CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000405322281 374056002 /nfs/dbraw/zinc/05/60/02/374056002.db2.gz QEDRADOSZQOYDK-LLVKDONJSA-N 2 2 279.406 -1.078 20 0 CAADLP Cn1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000107576946 374056577 /nfs/dbraw/zinc/05/65/77/374056577.db2.gz ZBUIKUPZWOZBAI-NXEZZACHSA-N 2 2 264.329 -1.265 20 0 CAADLP CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000405322283 374056730 /nfs/dbraw/zinc/05/67/30/374056730.db2.gz QEDRADOSZQOYDK-NSHDSACASA-N 2 2 279.406 -1.078 20 0 CAADLP CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000405322283 374056736 /nfs/dbraw/zinc/05/67/36/374056736.db2.gz QEDRADOSZQOYDK-NSHDSACASA-N 2 2 279.406 -1.078 20 0 CAADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000621683828 374076717 /nfs/dbraw/zinc/07/67/17/374076717.db2.gz CCBAWEHOKXVPOX-ZWNOBZJWSA-N 2 2 266.345 -1.242 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C[N@@H+]1CCO ZINC000624286465 374110289 /nfs/dbraw/zinc/11/02/89/374110289.db2.gz YNGTVBZPJHUQAE-SFYZADRCSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C[N@H+]1CCO ZINC000624286465 374110297 /nfs/dbraw/zinc/11/02/97/374110297.db2.gz YNGTVBZPJHUQAE-SFYZADRCSA-N 2 2 267.337 -1.412 20 0 CAADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000624510911 374113936 /nfs/dbraw/zinc/11/39/36/374113936.db2.gz IDDBKXGUYUMEAP-ZETCQYMHSA-N 2 2 280.336 -2.130 20 0 CAADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nc(N)[nH+]c(N)n1 ZINC000624510911 374113945 /nfs/dbraw/zinc/11/39/45/374113945.db2.gz IDDBKXGUYUMEAP-ZETCQYMHSA-N 2 2 280.336 -2.130 20 0 CAADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000624510911 374113953 /nfs/dbraw/zinc/11/39/53/374113953.db2.gz IDDBKXGUYUMEAP-ZETCQYMHSA-N 2 2 280.336 -2.130 20 0 CAADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nc(N)nc(N)[nH+]1 ZINC000624510911 374113958 /nfs/dbraw/zinc/11/39/58/374113958.db2.gz IDDBKXGUYUMEAP-ZETCQYMHSA-N 2 2 280.336 -2.130 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627385338 374115715 /nfs/dbraw/zinc/11/57/15/374115715.db2.gz HYDTVNWJDROTGF-LLVKDONJSA-N 2 2 297.359 -1.131 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627385500 374117049 /nfs/dbraw/zinc/11/70/49/374117049.db2.gz MWDZNJFOYVSBJU-NXEZZACHSA-N 2 2 265.317 -1.134 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473909 374131334 /nfs/dbraw/zinc/13/13/34/374131334.db2.gz ZIFUIVFRYSHEIP-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627475829 374131960 /nfs/dbraw/zinc/13/19/60/374131960.db2.gz VEVFWYCXDWGDEO-LLVKDONJSA-N 2 2 296.371 -1.602 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627487267 374132862 /nfs/dbraw/zinc/13/28/62/374132862.db2.gz YHOXHYVYDAADKU-UHFFFAOYSA-N 2 2 286.376 -1.368 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000622659204 374089520 /nfs/dbraw/zinc/08/95/20/374089520.db2.gz ZMAJAEPRVOSHPO-GFCCVEGCSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000622659204 374089522 /nfs/dbraw/zinc/08/95/22/374089522.db2.gz ZMAJAEPRVOSHPO-GFCCVEGCSA-N 2 2 271.361 -1.110 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000123752689 374090553 /nfs/dbraw/zinc/09/05/53/374090553.db2.gz WDJBMHKETDFTEK-IUCAKERBSA-N 2 2 258.322 -1.120 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000123752689 374090563 /nfs/dbraw/zinc/09/05/63/374090563.db2.gz WDJBMHKETDFTEK-IUCAKERBSA-N 2 2 258.322 -1.120 20 0 CAADLP CC(C)[C@@H](CNc1nc(N)[nH+]c(N)n1)N1CC[NH+](C)CC1 ZINC000623833332 374090632 /nfs/dbraw/zinc/09/06/32/374090632.db2.gz YPGVHKRWRYZSGG-SNVBAGLBSA-N 2 2 294.407 -1.197 20 0 CAADLP CC(C)[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCN(C)CC1 ZINC000623833332 374090652 /nfs/dbraw/zinc/09/06/52/374090652.db2.gz YPGVHKRWRYZSGG-SNVBAGLBSA-N 2 2 294.407 -1.197 20 0 CAADLP COCC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623823353 374090792 /nfs/dbraw/zinc/09/07/92/374090792.db2.gz YJBBLLCNHNMCBJ-UHFFFAOYSA-N 2 2 253.310 -1.535 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000123752966 374091528 /nfs/dbraw/zinc/09/15/28/374091528.db2.gz WDJBMHKETDFTEK-BDAKNGLRSA-N 2 2 258.322 -1.120 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000123752966 374091531 /nfs/dbraw/zinc/09/15/31/374091531.db2.gz WDJBMHKETDFTEK-BDAKNGLRSA-N 2 2 258.322 -1.120 20 0 CAADLP CC(C)[C@H](CNc1nc(N)[nH+]c(N)n1)N1CC[NH+](C)CC1 ZINC000623833331 374091617 /nfs/dbraw/zinc/09/16/17/374091617.db2.gz YPGVHKRWRYZSGG-JTQLQIEISA-N 2 2 294.407 -1.197 20 0 CAADLP CC(C)[C@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCN(C)CC1 ZINC000623833331 374091622 /nfs/dbraw/zinc/09/16/22/374091622.db2.gz YPGVHKRWRYZSGG-JTQLQIEISA-N 2 2 294.407 -1.197 20 0 CAADLP C[C@H]1C[N@H+](CCNc2nc(N)[nH+]c(N)n2)CCO1 ZINC000623924796 374093771 /nfs/dbraw/zinc/09/37/71/374093771.db2.gz MWBSSVZFOBVBNL-ZETCQYMHSA-N 2 2 253.310 -1.749 20 0 CAADLP C[C@H]1C[N@@H+](CCNc2nc(N)[nH+]c(N)n2)CCO1 ZINC000623924796 374093776 /nfs/dbraw/zinc/09/37/76/374093776.db2.gz MWBSSVZFOBVBNL-ZETCQYMHSA-N 2 2 253.310 -1.749 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623939025 374094109 /nfs/dbraw/zinc/09/41/09/374094109.db2.gz AWFPZHKMKKFJDR-SSDOTTSWSA-N 2 2 253.310 -1.749 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623939025 374094112 /nfs/dbraw/zinc/09/41/12/374094112.db2.gz AWFPZHKMKKFJDR-SSDOTTSWSA-N 2 2 253.310 -1.749 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623860828 374094586 /nfs/dbraw/zinc/09/45/86/374094586.db2.gz GNIWSHNOUMRUCA-ZETCQYMHSA-N 2 2 253.310 -1.749 20 0 CAADLP CN(CC[NH+]1CCOCC1)c1nc(N)[nH+]c(N)n1 ZINC000623931582 374094821 /nfs/dbraw/zinc/09/48/21/374094821.db2.gz BRJAGCQPMQTJEP-UHFFFAOYSA-N 2 2 253.310 -1.535 20 0 CAADLP CC[NH+]1CCN(CCCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623855267 374095764 /nfs/dbraw/zinc/09/57/64/374095764.db2.gz VALXYOWZPPUDIN-UHFFFAOYSA-N 2 2 280.380 -1.442 20 0 CAADLP CC[NH+]1CCN(CCCNc2nc(N)nc(N)[nH+]2)CC1 ZINC000623855267 374095776 /nfs/dbraw/zinc/09/57/76/374095776.db2.gz VALXYOWZPPUDIN-UHFFFAOYSA-N 2 2 280.380 -1.442 20 0 CAADLP C[C@H](O)C[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623936136 374096129 /nfs/dbraw/zinc/09/61/29/374096129.db2.gz FIRLIODCTBAUIP-ZETCQYMHSA-N 2 2 253.310 -1.800 20 0 CAADLP CC(C)(O)C[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623929616 374096240 /nfs/dbraw/zinc/09/62/40/374096240.db2.gz LEXVXSPXFFIXSQ-UHFFFAOYSA-N 2 2 267.337 -1.410 20 0 CAADLP Nc1nc(NCC[NH+]2CCSCC2)nc(N)[nH+]1 ZINC000623966472 374097521 /nfs/dbraw/zinc/09/75/21/374097521.db2.gz SITGRXXENRROJR-UHFFFAOYSA-N 2 2 255.351 -1.421 20 0 CAADLP CCOCC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623945382 374098854 /nfs/dbraw/zinc/09/88/54/374098854.db2.gz LFTZNUTZAYIQNZ-UHFFFAOYSA-N 2 2 267.337 -1.145 20 0 CAADLP Cn1cc[nH+]c1CN1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623950566 374099494 /nfs/dbraw/zinc/09/94/94/374099494.db2.gz GFJLGAIPJICOLH-UHFFFAOYSA-N 2 2 289.347 -1.248 20 0 CAADLP Nc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000623997183 374101507 /nfs/dbraw/zinc/10/15/07/374101507.db2.gz DQLYSTZYJICICV-VIFPVBQESA-N 2 2 279.348 -1.145 20 0 CAADLP Nc1nc(N)[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000624051192 374104371 /nfs/dbraw/zinc/10/43/71/374104371.db2.gz VIEOMOLLEQZPFV-SECBINFHSA-N 2 2 279.348 -1.216 20 0 CAADLP CS(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037891365 374104724 /nfs/dbraw/zinc/10/47/24/374104724.db2.gz RKYIAHGKSKSCOX-SNVBAGLBSA-N 2 2 265.379 -1.418 20 0 CAADLP Nc1nc(NC[C@@H]2C[NH+]3CCN2CC3)nc(N)[nH+]1 ZINC000624056959 374105173 /nfs/dbraw/zinc/10/51/73/374105173.db2.gz UVTSOFIDLFGVPX-SSDOTTSWSA-N 2 2 250.310 -2.470 20 0 CAADLP Nc1nc(N)[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000624051193 374106170 /nfs/dbraw/zinc/10/61/70/374106170.db2.gz VIEOMOLLEQZPFV-VIFPVBQESA-N 2 2 279.348 -1.216 20 0 CAADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624211485 374109113 /nfs/dbraw/zinc/10/91/13/374109113.db2.gz QLBGDOOKVSYOPJ-DTWKUNHWSA-N 2 2 279.348 -1.004 20 0 CAADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633074873 374181748 /nfs/dbraw/zinc/18/17/48/374181748.db2.gz CBJMXWBDDMMGEC-UWVGGRQHSA-N 2 2 277.328 -1.049 20 0 CAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078163 374182051 /nfs/dbraw/zinc/18/20/51/374182051.db2.gz IEHKEMQFSGBZIC-JQWIXIFHSA-N 2 2 278.356 -1.134 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505860 374136697 /nfs/dbraw/zinc/13/66/97/374136697.db2.gz LDIJQFLZZVEPRP-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627507268 374136746 /nfs/dbraw/zinc/13/67/46/374136746.db2.gz JQQIYQCRLXYPSM-SNVBAGLBSA-N 2 2 266.345 -1.229 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505930 374137081 /nfs/dbraw/zinc/13/70/81/374137081.db2.gz PYZLMDKPZFUGBI-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000008091757 374147150 /nfs/dbraw/zinc/14/71/50/374147150.db2.gz AGGDWGREDJTECE-UHFFFAOYSA-N 2 2 298.387 -1.449 20 0 CAADLP C[NH+](C)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631640242 374148969 /nfs/dbraw/zinc/14/89/69/374148969.db2.gz VVAVNFFFQXMYGF-SNVBAGLBSA-N 2 2 265.379 -1.202 20 0 CAADLP C[NH+](C)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631640242 374148974 /nfs/dbraw/zinc/14/89/74/374148974.db2.gz VVAVNFFFQXMYGF-SNVBAGLBSA-N 2 2 265.379 -1.202 20 0 CAADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000631873096 374150842 /nfs/dbraw/zinc/15/08/42/374150842.db2.gz LEKOBELWLSFFCB-JTQLQIEISA-N 2 2 260.338 -1.409 20 0 CAADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000631873096 374150849 /nfs/dbraw/zinc/15/08/49/374150849.db2.gz LEKOBELWLSFFCB-JTQLQIEISA-N 2 2 260.338 -1.409 20 0 CAADLP [NH3+]CC(F)(F)CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631929655 374153780 /nfs/dbraw/zinc/15/37/80/374153780.db2.gz LEFIMMYFVFLPEZ-SSDOTTSWSA-N 2 2 273.305 -1.512 20 0 CAADLP C[C@]1(F)C[NH2+]CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631939466 374156556 /nfs/dbraw/zinc/15/65/56/374156556.db2.gz AVCXKPOQPJXEAD-QWRGUYRKSA-N 2 2 295.380 -1.062 20 0 CAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCC2)C1 ZINC000632135230 374161221 /nfs/dbraw/zinc/16/12/21/374161221.db2.gz YZCVIXJKIKMZEE-LLVKDONJSA-N 2 2 277.390 -1.058 20 0 CAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCC2)C1 ZINC000632135230 374161231 /nfs/dbraw/zinc/16/12/31/374161231.db2.gz YZCVIXJKIKMZEE-LLVKDONJSA-N 2 2 277.390 -1.058 20 0 CAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCC2)C1 ZINC000632135233 374161643 /nfs/dbraw/zinc/16/16/43/374161643.db2.gz YZCVIXJKIKMZEE-NSHDSACASA-N 2 2 277.390 -1.058 20 0 CAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCC2)C1 ZINC000632135233 374161650 /nfs/dbraw/zinc/16/16/50/374161650.db2.gz YZCVIXJKIKMZEE-NSHDSACASA-N 2 2 277.390 -1.058 20 0 CAADLP C[NH+](C)C1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632182004 374163051 /nfs/dbraw/zinc/16/30/51/374163051.db2.gz WCYSQCLKCXFTIY-NSHDSACASA-N 2 2 277.390 -1.107 20 0 CAADLP C[NH+](C)C1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632182004 374163059 /nfs/dbraw/zinc/16/30/59/374163059.db2.gz WCYSQCLKCXFTIY-NSHDSACASA-N 2 2 277.390 -1.107 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632576416 374174017 /nfs/dbraw/zinc/17/40/17/374174017.db2.gz QHVVLZGWHRPBSL-NSHDSACASA-N 2 2 279.406 -1.124 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632576416 374174021 /nfs/dbraw/zinc/17/40/21/374174021.db2.gz QHVVLZGWHRPBSL-NSHDSACASA-N 2 2 279.406 -1.124 20 0 CAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633114451 374185096 /nfs/dbraw/zinc/18/50/96/374185096.db2.gz XJBONZBBYILIKS-WPRPVWTQSA-N 2 2 263.301 -1.059 20 0 CAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633114451 374185104 /nfs/dbraw/zinc/18/51/04/374185104.db2.gz XJBONZBBYILIKS-WPRPVWTQSA-N 2 2 263.301 -1.059 20 0 CAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000633114538 374185227 /nfs/dbraw/zinc/18/52/27/374185227.db2.gz CBOGWPXXBXNQEX-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633113073 374185268 /nfs/dbraw/zinc/18/52/68/374185268.db2.gz BKUUQLVSWDVTHJ-UWVGGRQHSA-N 2 2 252.318 -1.667 20 0 CAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000633101565 374185563 /nfs/dbraw/zinc/18/55/63/374185563.db2.gz CURHFCUFXBHPQG-SNVBAGLBSA-N 2 2 294.359 -1.531 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633137974 374187024 /nfs/dbraw/zinc/18/70/24/374187024.db2.gz AUPIYZFDXYSTBP-SDDRHHMPSA-N 2 2 298.387 -1.541 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633114865 374187133 /nfs/dbraw/zinc/18/71/33/374187133.db2.gz JLMODNBAFJTEBK-SRVKXCTJSA-N 2 2 296.371 -1.916 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000574735232 335043399 /nfs/dbraw/zinc/04/33/99/335043399.db2.gz UFTUVMLLKHGHTP-YNEHKIRRSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@]1(CO)CCOC1 ZINC000329654878 252094965 /nfs/dbraw/zinc/09/49/65/252094965.db2.gz LVENIKYXXOYCTG-CYBMUJFWSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@]1(CO)CCOC1 ZINC000329654878 252094966 /nfs/dbraw/zinc/09/49/66/252094966.db2.gz LVENIKYXXOYCTG-CYBMUJFWSA-N 2 2 271.361 -1.156 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000330646432 252101297 /nfs/dbraw/zinc/10/12/97/252101297.db2.gz UNQSFAQOALDMEL-UHFFFAOYSA-N 2 2 297.359 -1.552 20 0 CAADLP C[NH+](C)CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000331280008 252117339 /nfs/dbraw/zinc/11/73/39/252117339.db2.gz TYIKROSDDPZRKH-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CS(=O)(=O)N1CCC[C@H](C[N@H+](CC[NH3+])CCO)C1 ZINC000342394123 252123780 /nfs/dbraw/zinc/12/37/80/252123780.db2.gz XBQHLKQUQVOLJC-LLVKDONJSA-N 2 2 279.406 -1.089 20 0 CAADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+](CC[NH3+])CCO)C1 ZINC000342394123 252123784 /nfs/dbraw/zinc/12/37/84/252123784.db2.gz XBQHLKQUQVOLJC-LLVKDONJSA-N 2 2 279.406 -1.089 20 0 CAADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000357307544 252147069 /nfs/dbraw/zinc/14/70/69/252147069.db2.gz UQLLHEBYJDZQIQ-BREBYQMCSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357910164 252153489 /nfs/dbraw/zinc/15/34/89/252153489.db2.gz IGXDWRVBFWDUKV-VWYCJHECSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357910164 252153491 /nfs/dbraw/zinc/15/34/91/252153491.db2.gz IGXDWRVBFWDUKV-VWYCJHECSA-N 2 2 257.334 -1.454 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357903983 252153699 /nfs/dbraw/zinc/15/36/99/252153699.db2.gz AZDWKSGZUUEDRP-WDEREUQCSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000357919145 252154024 /nfs/dbraw/zinc/15/40/24/252154024.db2.gz JQEQOPIEXQJXON-VWYCJHECSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000358506831 252155888 /nfs/dbraw/zinc/15/58/88/252155888.db2.gz CLAUGIARASGQLF-WDEREUQCSA-N 2 2 257.334 -1.107 20 0 CAADLP C[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000358506825 252155947 /nfs/dbraw/zinc/15/59/47/252155947.db2.gz CLAUGIARASGQLF-GHMZBOCLSA-N 2 2 257.334 -1.107 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359276046 252160625 /nfs/dbraw/zinc/16/06/25/252160625.db2.gz LRXVNOJLLNXQOZ-QWRGUYRKSA-N 2 2 299.400 -1.150 20 0 CAADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000359310998 252160828 /nfs/dbraw/zinc/16/08/28/252160828.db2.gz RMFRPURORDGBEU-AOOOYVTPSA-N 2 2 252.318 -1.904 20 0 CAADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000359310998 252160832 /nfs/dbraw/zinc/16/08/32/252160832.db2.gz RMFRPURORDGBEU-AOOOYVTPSA-N 2 2 252.318 -1.904 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1O ZINC000359418566 252161018 /nfs/dbraw/zinc/16/10/18/252161018.db2.gz VJKCLQIRMRGLJG-NWDGAFQWSA-N 2 2 286.376 -1.365 20 0 CAADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359303256 252161369 /nfs/dbraw/zinc/16/13/69/252161369.db2.gz JIQOQQXDANVEMQ-MXWKQRLJSA-N 2 2 284.360 -1.002 20 0 CAADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359303256 252161373 /nfs/dbraw/zinc/16/13/73/252161373.db2.gz JIQOQQXDANVEMQ-MXWKQRLJSA-N 2 2 284.360 -1.002 20 0 CAADLP C[NH+](C)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1O ZINC000359418553 252161751 /nfs/dbraw/zinc/16/17/51/252161751.db2.gz VJKCLQIRMRGLJG-NEPJUHHUSA-N 2 2 286.376 -1.365 20 0 CAADLP C[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000360151432 252166043 /nfs/dbraw/zinc/16/60/43/252166043.db2.gz PIUBSKLTZITJKV-GFCCVEGCSA-N 2 2 270.377 -1.319 20 0 CAADLP C[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000360151432 252166049 /nfs/dbraw/zinc/16/60/49/252166049.db2.gz PIUBSKLTZITJKV-GFCCVEGCSA-N 2 2 270.377 -1.319 20 0 CAADLP C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000360151433 252166350 /nfs/dbraw/zinc/16/63/50/252166350.db2.gz PIUBSKLTZITJKV-LBPRGKRZSA-N 2 2 270.377 -1.319 20 0 CAADLP C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000360151433 252166352 /nfs/dbraw/zinc/16/63/52/252166352.db2.gz PIUBSKLTZITJKV-LBPRGKRZSA-N 2 2 270.377 -1.319 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000360489575 252168275 /nfs/dbraw/zinc/16/82/75/252168275.db2.gz GUURMVJFZZUWDX-QWRGUYRKSA-N 2 2 257.334 -1.812 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000360489575 252168279 /nfs/dbraw/zinc/16/82/79/252168279.db2.gz GUURMVJFZZUWDX-QWRGUYRKSA-N 2 2 257.334 -1.812 20 0 CAADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000360561073 252168529 /nfs/dbraw/zinc/16/85/29/252168529.db2.gz HZRZWCSSCUALKZ-ZDUSSCGKSA-N 2 2 266.345 -1.370 20 0 CAADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000360561073 252168531 /nfs/dbraw/zinc/16/85/31/252168531.db2.gz HZRZWCSSCUALKZ-ZDUSSCGKSA-N 2 2 266.345 -1.370 20 0 CAADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857734 252136103 /nfs/dbraw/zinc/13/61/03/252136103.db2.gz YJNSSNLAJYKUGP-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857734 252136106 /nfs/dbraw/zinc/13/61/06/252136106.db2.gz YJNSSNLAJYKUGP-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367267606 252181980 /nfs/dbraw/zinc/18/19/80/252181980.db2.gz RBZSEHRODJHHEX-NEPJUHHUSA-N 2 2 299.371 -1.241 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367267606 252181981 /nfs/dbraw/zinc/18/19/81/252181981.db2.gz RBZSEHRODJHHEX-NEPJUHHUSA-N 2 2 299.371 -1.241 20 0 CAADLP COC[C@@](C)(CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000362128709 252175520 /nfs/dbraw/zinc/17/55/20/252175520.db2.gz HIXWJZAXSBXXES-CYBMUJFWSA-N 2 2 288.392 -1.253 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828952 252177976 /nfs/dbraw/zinc/17/79/76/252177976.db2.gz FMTJIUAPAWWPDE-UWVGGRQHSA-N 2 2 297.359 -1.534 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828952 252177982 /nfs/dbraw/zinc/17/79/82/252177982.db2.gz FMTJIUAPAWWPDE-UWVGGRQHSA-N 2 2 297.359 -1.534 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000377292713 252205223 /nfs/dbraw/zinc/20/52/23/252205223.db2.gz TVLCSMQCDKWJIN-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000377292713 252205226 /nfs/dbraw/zinc/20/52/26/252205226.db2.gz TVLCSMQCDKWJIN-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000377292714 252206051 /nfs/dbraw/zinc/20/60/51/252206051.db2.gz TVLCSMQCDKWJIN-SDDRHHMPSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000377292714 252206055 /nfs/dbraw/zinc/20/60/55/252206055.db2.gz TVLCSMQCDKWJIN-SDDRHHMPSA-N 2 2 271.361 -1.112 20 0 CAADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374572808 252200260 /nfs/dbraw/zinc/20/02/60/252200260.db2.gz RBZSEHRODJHHEX-VXGBXAGGSA-N 2 2 299.371 -1.241 20 0 CAADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374572808 252200264 /nfs/dbraw/zinc/20/02/64/252200264.db2.gz RBZSEHRODJHHEX-VXGBXAGGSA-N 2 2 299.371 -1.241 20 0 CAADLP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261897384 532952421 /nfs/dbraw/zinc/95/24/21/532952421.db2.gz UPVRCKCVBFUETC-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000408445001 252241418 /nfs/dbraw/zinc/24/14/18/252241418.db2.gz XCXKQOFJSPMESG-RYUDHWBXSA-N 2 2 271.361 -1.376 20 0 CAADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408445002 252241486 /nfs/dbraw/zinc/24/14/86/252241486.db2.gz XCXKQOFJSPMESG-TXEJJXNPSA-N 2 2 271.361 -1.376 20 0 CAADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408445002 252241489 /nfs/dbraw/zinc/24/14/89/252241489.db2.gz XCXKQOFJSPMESG-TXEJJXNPSA-N 2 2 271.361 -1.376 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408443659 252241750 /nfs/dbraw/zinc/24/17/50/252241750.db2.gz QQICHOGXWDDBFI-SDDRHHMPSA-N 2 2 271.361 -1.424 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408443659 252241753 /nfs/dbraw/zinc/24/17/53/252241753.db2.gz QQICHOGXWDDBFI-SDDRHHMPSA-N 2 2 271.361 -1.424 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000408233835 252229786 /nfs/dbraw/zinc/22/97/86/252229786.db2.gz BMRKOWIFFMQNFF-ZDUSSCGKSA-N 2 2 298.387 -1.403 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000408233835 252229790 /nfs/dbraw/zinc/22/97/90/252229790.db2.gz BMRKOWIFFMQNFF-ZDUSSCGKSA-N 2 2 298.387 -1.403 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@H]1C ZINC000353680620 532957665 /nfs/dbraw/zinc/95/76/65/532957665.db2.gz OMFHBJBXJPCIGF-VHSXEESVSA-N 2 2 272.349 -1.632 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@@H]1C ZINC000353680620 532957668 /nfs/dbraw/zinc/95/76/68/532957668.db2.gz OMFHBJBXJPCIGF-VHSXEESVSA-N 2 2 272.349 -1.632 20 0 CAADLP COCCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000514789995 252251007 /nfs/dbraw/zinc/25/10/07/252251007.db2.gz XJPOMEFSQKFULU-NWDGAFQWSA-N 2 2 298.387 -1.417 20 0 CAADLP COCCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000514789995 252251009 /nfs/dbraw/zinc/25/10/09/252251009.db2.gz XJPOMEFSQKFULU-NWDGAFQWSA-N 2 2 298.387 -1.417 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000262443098 285045659 /nfs/dbraw/zinc/04/56/59/285045659.db2.gz TVLCSMQCDKWJIN-TUAOUCFPSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000262443098 285045660 /nfs/dbraw/zinc/04/56/60/285045660.db2.gz TVLCSMQCDKWJIN-TUAOUCFPSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000347677200 533078219 /nfs/dbraw/zinc/07/82/19/533078219.db2.gz WMSMVHBNWVTEMA-ZJUUUORDSA-N 2 2 272.349 -1.713 20 0 CAADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963747 296384074 /nfs/dbraw/zinc/38/40/74/296384074.db2.gz HJTIFTTYJJSAQN-MNOVXSKESA-N 2 2 266.345 -1.371 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963747 296384076 /nfs/dbraw/zinc/38/40/76/296384076.db2.gz HJTIFTTYJJSAQN-MNOVXSKESA-N 2 2 266.345 -1.371 20 0 CAADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963749 296384332 /nfs/dbraw/zinc/38/43/32/296384332.db2.gz HJTIFTTYJJSAQN-QWRGUYRKSA-N 2 2 266.345 -1.371 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963749 296384334 /nfs/dbraw/zinc/38/43/34/296384334.db2.gz HJTIFTTYJJSAQN-QWRGUYRKSA-N 2 2 266.345 -1.371 20 0 CAADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000447442955 533148794 /nfs/dbraw/zinc/14/87/94/533148794.db2.gz TUAHWOVJYAVYAT-JTQLQIEISA-N 2 2 286.376 -1.242 20 0 CAADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756862 781977766 /nfs/dbraw/zinc/97/77/66/781977766.db2.gz UPQUBNZFKFBCRI-JHJVBQTASA-N 2 2 295.387 -1.006 20 0 CAADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001193756862 781977776 /nfs/dbraw/zinc/97/77/76/781977776.db2.gz UPQUBNZFKFBCRI-JHJVBQTASA-N 2 2 295.387 -1.006 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[NH2+]CCO1 ZINC000521042583 260037269 /nfs/dbraw/zinc/03/72/69/260037269.db2.gz KZDWQGQJQJMEFG-VIFPVBQESA-N 2 2 256.306 -2.477 20 0 CAADLP C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000493974409 533247843 /nfs/dbraw/zinc/24/78/43/533247843.db2.gz BDQDIGVAQIARJY-MNOVXSKESA-N 2 2 286.376 -1.466 20 0 CAADLP COCC[N@H+](C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430717374 533313642 /nfs/dbraw/zinc/31/36/42/533313642.db2.gz VWRUAOMUQLJMHM-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP COCC[N@@H+](C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430717374 533313647 /nfs/dbraw/zinc/31/36/47/533313647.db2.gz VWRUAOMUQLJMHM-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358153421 533497734 /nfs/dbraw/zinc/49/77/34/533497734.db2.gz ITKYSAWSFHEAAD-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](O)C[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336790188 533657623 /nfs/dbraw/zinc/65/76/23/533657623.db2.gz KXXDXQZRDXUMIP-LLVKDONJSA-N 2 2 259.350 -1.565 20 0 CAADLP C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336790188 533657637 /nfs/dbraw/zinc/65/76/37/533657637.db2.gz KXXDXQZRDXUMIP-LLVKDONJSA-N 2 2 259.350 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000678521452 545608637 /nfs/dbraw/zinc/60/86/37/545608637.db2.gz WOBKSOGEOKZDAG-PHIMTYICSA-N 2 2 257.334 -1.812 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000678521452 545608639 /nfs/dbraw/zinc/60/86/39/545608639.db2.gz WOBKSOGEOKZDAG-PHIMTYICSA-N 2 2 257.334 -1.812 20 0 CAADLP C[NH+](C)CC(=O)NC[C@@H](CO)NC(=O)C[NH+](C)C ZINC000682363456 545617781 /nfs/dbraw/zinc/61/77/81/545617781.db2.gz QBXIIFXCKLVRJY-VIFPVBQESA-N 2 2 260.338 -2.297 20 0 CAADLP C[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000194888982 545592207 /nfs/dbraw/zinc/59/22/07/545592207.db2.gz MXUSZFZKTQUBKI-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001195128561 782003799 /nfs/dbraw/zinc/00/37/99/782003799.db2.gz KWXUJCXKVUTBGO-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001195128561 782003808 /nfs/dbraw/zinc/00/38/08/782003808.db2.gz KWXUJCXKVUTBGO-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP CC1([NH3+])CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000646992073 409328492 /nfs/dbraw/zinc/32/84/92/409328492.db2.gz YNUNAQHNDVUJMY-UHFFFAOYSA-N 2 2 254.334 -1.242 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC1=CC[NH2+]CC1 ZINC000646976424 409328635 /nfs/dbraw/zinc/32/86/35/409328635.db2.gz YNAVUUIQQYAOJR-UHFFFAOYSA-N 2 2 252.318 -1.546 20 0 CAADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1CC[NH2+]CC1=O ZINC000647036179 409330457 /nfs/dbraw/zinc/33/04/57/409330457.db2.gz WJMMOVVECOIBOZ-UWVGGRQHSA-N 2 2 272.324 -1.423 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988537 409329499 /nfs/dbraw/zinc/32/94/99/409329499.db2.gz SNPPBBZUCLEGAU-JTQLQIEISA-N 2 2 254.334 -1.324 20 0 CAADLP O=C1C[NH2+]CCN1[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000662266753 409319687 /nfs/dbraw/zinc/31/96/87/409319687.db2.gz LYCFEJDROHZWLZ-QWHCGFSZSA-N 2 2 282.388 -1.129 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662242714 409320241 /nfs/dbraw/zinc/32/02/41/409320241.db2.gz GXRLORWDYOHVJO-NEPJUHHUSA-N 3 2 270.377 -1.238 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662242714 409320246 /nfs/dbraw/zinc/32/02/46/409320246.db2.gz GXRLORWDYOHVJO-NEPJUHHUSA-N 3 2 270.377 -1.238 20 0 CAADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259632 409320349 /nfs/dbraw/zinc/32/03/49/409320349.db2.gz ZRMWLZANLXKRRM-WDEREUQCSA-N 2 2 282.344 -1.057 20 0 CAADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259632 409320352 /nfs/dbraw/zinc/32/03/52/409320352.db2.gz ZRMWLZANLXKRRM-WDEREUQCSA-N 2 2 282.344 -1.057 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259630 409320407 /nfs/dbraw/zinc/32/04/07/409320407.db2.gz ZRMWLZANLXKRRM-QWRGUYRKSA-N 2 2 282.344 -1.057 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259630 409320409 /nfs/dbraw/zinc/32/04/09/409320409.db2.gz ZRMWLZANLXKRRM-QWRGUYRKSA-N 2 2 282.344 -1.057 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662242717 409320617 /nfs/dbraw/zinc/32/06/17/409320617.db2.gz GXRLORWDYOHVJO-VXGBXAGGSA-N 3 2 270.377 -1.238 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662242717 409320619 /nfs/dbraw/zinc/32/06/19/409320619.db2.gz GXRLORWDYOHVJO-VXGBXAGGSA-N 3 2 270.377 -1.238 20 0 CAADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278760 409321363 /nfs/dbraw/zinc/32/13/63/409321363.db2.gz ABTBQABSGAQHND-WDEREUQCSA-N 2 2 294.355 -1.850 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278760 409321369 /nfs/dbraw/zinc/32/13/69/409321369.db2.gz ABTBQABSGAQHND-WDEREUQCSA-N 2 2 294.355 -1.850 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278757 409322097 /nfs/dbraw/zinc/32/20/97/409322097.db2.gz ABTBQABSGAQHND-GHMZBOCLSA-N 2 2 294.355 -1.850 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000662278757 409322101 /nfs/dbraw/zinc/32/21/01/409322101.db2.gz ABTBQABSGAQHND-GHMZBOCLSA-N 2 2 294.355 -1.850 20 0 CAADLP [NH3+]CC[N@H+](CCC(=O)N1CCOCC1)C[C@@H](O)CO ZINC000662289464 409323162 /nfs/dbraw/zinc/32/31/62/409323162.db2.gz SBHDTUPASRMWLT-LLVKDONJSA-N 2 2 275.349 -2.151 20 0 CAADLP [NH3+]CC[N@@H+](CCC(=O)N1CCOCC1)C[C@@H](O)CO ZINC000662289464 409323167 /nfs/dbraw/zinc/32/31/67/409323167.db2.gz SBHDTUPASRMWLT-LLVKDONJSA-N 2 2 275.349 -2.151 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCN(C3CC3)C2=O)[C@@H](C[NH3+])C1 ZINC000662430549 409323627 /nfs/dbraw/zinc/32/36/27/409323627.db2.gz ZUAFMTSYVYEVFV-LBPRGKRZSA-N 2 2 295.387 -1.012 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCN(C3CC3)C2=O)[C@@H](C[NH3+])C1 ZINC000662430549 409323631 /nfs/dbraw/zinc/32/36/31/409323631.db2.gz ZUAFMTSYVYEVFV-LBPRGKRZSA-N 2 2 295.387 -1.012 20 0 CAADLP Cn1c[nH+]cc1CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286663 409323671 /nfs/dbraw/zinc/32/36/71/409323671.db2.gz VVQBAACCGOSCGK-GFCCVEGCSA-N 3 2 256.350 -1.033 20 0 CAADLP Cn1c[nH+]cc1CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286663 409323673 /nfs/dbraw/zinc/32/36/73/409323673.db2.gz VVQBAACCGOSCGK-GFCCVEGCSA-N 3 2 256.350 -1.033 20 0 CAADLP CCS(=O)(=O)NCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289384 409324696 /nfs/dbraw/zinc/32/46/96/409324696.db2.gz ZZKBNUNWHUJWIZ-SNVBAGLBSA-N 2 2 283.394 -2.070 20 0 CAADLP CCS(=O)(=O)NCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289384 409324703 /nfs/dbraw/zinc/32/47/03/409324703.db2.gz ZZKBNUNWHUJWIZ-SNVBAGLBSA-N 2 2 283.394 -2.070 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662317329 409324896 /nfs/dbraw/zinc/32/48/96/409324896.db2.gz WRJVFZQLBNNVQB-WRWGMCAJSA-N 2 2 292.401 -1.299 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662317329 409324904 /nfs/dbraw/zinc/32/49/04/409324904.db2.gz WRJVFZQLBNNVQB-WRWGMCAJSA-N 2 2 292.401 -1.299 20 0 CAADLP Cc1noc(CCC[N@H+](CC[NH3+])C[C@H](O)CO)n1 ZINC000662289308 409325077 /nfs/dbraw/zinc/32/50/77/409325077.db2.gz ZFIWVQUUGXWPHK-JTQLQIEISA-N 2 2 258.322 -1.075 20 0 CAADLP Cc1noc(CCC[N@@H+](CC[NH3+])C[C@H](O)CO)n1 ZINC000662289308 409325080 /nfs/dbraw/zinc/32/50/80/409325080.db2.gz ZFIWVQUUGXWPHK-JTQLQIEISA-N 2 2 258.322 -1.075 20 0 CAADLP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)(F)F ZINC000655505315 409383282 /nfs/dbraw/zinc/38/32/82/409383282.db2.gz WGVBDKIEGVBHHQ-ZCFIWIBFSA-N 2 2 268.239 -1.576 20 0 CAADLP Cc1nc(NC[C@H]2C[NH2+]CCN2C)nc(N(C)C)[nH+]1 ZINC000420262127 409392047 /nfs/dbraw/zinc/39/20/47/409392047.db2.gz AEUKNZKJITXVQO-SNVBAGLBSA-N 2 2 265.365 -0.438 20 0 CAADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338475 409393699 /nfs/dbraw/zinc/39/36/99/409393699.db2.gz HKWFFXQVLWRQQK-MFKMUULPSA-N 2 2 284.360 -1.075 20 0 CAADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338475 409393705 /nfs/dbraw/zinc/39/37/05/409393705.db2.gz HKWFFXQVLWRQQK-MFKMUULPSA-N 2 2 284.360 -1.075 20 0 CAADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000652230320 409393802 /nfs/dbraw/zinc/39/38/02/409393802.db2.gz CUKBQRAIWQGRAL-KXUCPTDWSA-N 2 2 269.349 -1.465 20 0 CAADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000652230320 409393805 /nfs/dbraw/zinc/39/38/05/409393805.db2.gz CUKBQRAIWQGRAL-KXUCPTDWSA-N 2 2 269.349 -1.465 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@](C)(O)C[NH2+]C ZINC000652338434 409394810 /nfs/dbraw/zinc/39/48/10/409394810.db2.gz BZYSVXXODJSEPQ-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@](C)(O)C[NH2+]C ZINC000652338434 409394813 /nfs/dbraw/zinc/39/48/13/409394813.db2.gz BZYSVXXODJSEPQ-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP C[C@H](CCNC(=O)CN1CC[NH2+]CC1=O)[NH+](C)C ZINC000662633545 409331817 /nfs/dbraw/zinc/33/18/17/409331817.db2.gz MKIIYQOQHLOKLT-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP CC(C)N1C(=O)C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1=O ZINC000653101677 409331957 /nfs/dbraw/zinc/33/19/57/409331957.db2.gz CFBAXCHRIGEBBI-ZJUUUORDSA-N 2 2 284.360 -1.083 20 0 CAADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655582 409331993 /nfs/dbraw/zinc/33/19/93/409331993.db2.gz JWYSYPJSUKZQMD-VXGBXAGGSA-N 2 2 269.345 -1.092 20 0 CAADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655580 409332399 /nfs/dbraw/zinc/33/23/99/409332399.db2.gz JWYSYPJSUKZQMD-NWDGAFQWSA-N 2 2 269.345 -1.092 20 0 CAADLP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653114652 409332869 /nfs/dbraw/zinc/33/28/69/409332869.db2.gz QPCVBFLLZSMYDK-LLVKDONJSA-N 3 2 260.382 -1.040 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653114652 409332873 /nfs/dbraw/zinc/33/28/73/409332873.db2.gz QPCVBFLLZSMYDK-LLVKDONJSA-N 3 2 260.382 -1.040 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296303 409333094 /nfs/dbraw/zinc/33/30/94/409333094.db2.gz KIUXHQXRCABLSO-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296303 409333097 /nfs/dbraw/zinc/33/30/97/409333097.db2.gz KIUXHQXRCABLSO-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296303 409333100 /nfs/dbraw/zinc/33/31/00/409333100.db2.gz KIUXHQXRCABLSO-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296303 409333104 /nfs/dbraw/zinc/33/31/04/409333104.db2.gz KIUXHQXRCABLSO-TUAOUCFPSA-N 2 2 269.345 -1.406 20 0 CAADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655581 409333489 /nfs/dbraw/zinc/33/34/89/409333489.db2.gz JWYSYPJSUKZQMD-RYUDHWBXSA-N 2 2 269.345 -1.092 20 0 CAADLP O=C(N1CC[NH+](CCO)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653139343 409334810 /nfs/dbraw/zinc/33/48/10/409334810.db2.gz ABKKKENQFRWWOI-AAEUAGOBSA-N 2 2 269.345 -1.641 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662747288 409335176 /nfs/dbraw/zinc/33/51/76/409335176.db2.gz SDBUFEMHRPYUNI-QWRGUYRKSA-N 2 2 298.387 -1.242 20 0 CAADLP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832804 409335435 /nfs/dbraw/zinc/33/54/35/409335435.db2.gz LIJJZDXYCAPWIE-GARJFASQSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832804 409335440 /nfs/dbraw/zinc/33/54/40/409335440.db2.gz LIJJZDXYCAPWIE-GARJFASQSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662955224 409337140 /nfs/dbraw/zinc/33/71/40/409337140.db2.gz YYEIXMMUHZEWHI-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662955218 409337208 /nfs/dbraw/zinc/33/72/08/409337208.db2.gz YYEIXMMUHZEWHI-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662960530 409338003 /nfs/dbraw/zinc/33/80/03/409338003.db2.gz RVTXTEALZVHJTQ-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662955216 409338067 /nfs/dbraw/zinc/33/80/67/409338067.db2.gz YYEIXMMUHZEWHI-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000237943972 409343286 /nfs/dbraw/zinc/34/32/86/409343286.db2.gz WBGBAJYONLSGHE-LLVKDONJSA-N 2 2 284.360 -1.758 20 0 CAADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037800595 409344310 /nfs/dbraw/zinc/34/43/10/409344310.db2.gz PHNDMPVZMLXFSB-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496581 409345123 /nfs/dbraw/zinc/34/51/23/409345123.db2.gz WQYFSMWJRJKQHG-WCQYABFASA-N 3 2 252.362 -1.041 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496581 409345125 /nfs/dbraw/zinc/34/51/25/409345125.db2.gz WQYFSMWJRJKQHG-WCQYABFASA-N 3 2 252.362 -1.041 20 0 CAADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])CC(N)=O)C[C@@H](C)O1 ZINC000353045148 409459115 /nfs/dbraw/zinc/45/91/15/409459115.db2.gz RNEUQPDMWVFVRD-MXWKQRLJSA-N 2 2 286.376 -1.195 20 0 CAADLP CN(CCN1CC[NH2+]CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000647770037 409405404 /nfs/dbraw/zinc/40/54/04/409405404.db2.gz UWHGTXWLAQFAOF-UHFFFAOYSA-N 2 2 283.376 -2.218 20 0 CAADLP C[C@@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)C(=O)N(C)C ZINC000647835953 409412478 /nfs/dbraw/zinc/41/24/78/409412478.db2.gz VZNHSCLDNUWNQW-GFCCVEGCSA-N 2 2 299.419 -1.584 20 0 CAADLP C[C@@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)C(=O)N(C)C ZINC000647835953 409412479 /nfs/dbraw/zinc/41/24/79/409412479.db2.gz VZNHSCLDNUWNQW-GFCCVEGCSA-N 2 2 299.419 -1.584 20 0 CAADLP C[N@H+]1CCN(C(=O)COC2(C)C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000647874464 409415406 /nfs/dbraw/zinc/41/54/06/409415406.db2.gz YSPDISYSEKLVFJ-SNVBAGLBSA-N 3 2 256.350 -1.534 20 0 CAADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865166 409415580 /nfs/dbraw/zinc/41/55/80/409415580.db2.gz AWYBNYDTTKFBPE-NEPJUHHUSA-N 3 2 270.377 -1.144 20 0 CAADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865166 409415581 /nfs/dbraw/zinc/41/55/81/409415581.db2.gz AWYBNYDTTKFBPE-NEPJUHHUSA-N 3 2 270.377 -1.144 20 0 CAADLP CN(C)S(=O)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000647874667 409415610 /nfs/dbraw/zinc/41/56/10/409415610.db2.gz KYSWBOMBGDJONX-UHFFFAOYSA-N 2 2 280.394 -1.614 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000341711327 409420634 /nfs/dbraw/zinc/42/06/34/409420634.db2.gz ZIZZIRKGJBBAGB-JHJVBQTASA-N 2 2 285.388 -1.007 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000341711327 409420643 /nfs/dbraw/zinc/42/06/43/409420643.db2.gz ZIZZIRKGJBBAGB-JHJVBQTASA-N 2 2 285.388 -1.007 20 0 CAADLP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C[NH3+] ZINC000417845977 409441811 /nfs/dbraw/zinc/44/18/11/409441811.db2.gz SUSJNBMFGFQVCG-MNOVXSKESA-N 2 2 268.361 -1.139 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348991964 409441848 /nfs/dbraw/zinc/44/18/48/409441848.db2.gz OJVIZOJQYYNVBH-UHFFFAOYSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C[NH3+] ZINC000417845980 409442126 /nfs/dbraw/zinc/44/21/26/409442126.db2.gz SUSJNBMFGFQVCG-QWRGUYRKSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000417845974 409443687 /nfs/dbraw/zinc/44/36/87/409443687.db2.gz SUSJNBMFGFQVCG-GHMZBOCLSA-N 2 2 268.361 -1.139 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000519600090 409446845 /nfs/dbraw/zinc/44/68/45/409446845.db2.gz NUBAHOQJJUWGBM-MNOVXSKESA-N 3 2 283.376 -2.044 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000659648599 409466517 /nfs/dbraw/zinc/46/65/17/409466517.db2.gz UIEOZGNHKVIYCQ-VXGBXAGGSA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361284777 409467102 /nfs/dbraw/zinc/46/71/02/409467102.db2.gz ADEQUWHWKNUJSR-MNOVXSKESA-N 2 2 257.334 -1.548 20 0 CAADLP CC(C)(CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000659672724 409468226 /nfs/dbraw/zinc/46/82/26/409468226.db2.gz AOYOMRFDNGVMLO-NSHDSACASA-N 2 2 298.387 -1.309 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000355756591 409464913 /nfs/dbraw/zinc/46/49/13/409464913.db2.gz XDICHWUFUVQDNX-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659717024 409471586 /nfs/dbraw/zinc/47/15/86/409471586.db2.gz YZKSQVDUAAHQSK-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659718113 409472342 /nfs/dbraw/zinc/47/23/42/409472342.db2.gz NHHANNFSQMZJAJ-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+](C)[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1O ZINC000653687639 409473774 /nfs/dbraw/zinc/47/37/74/409473774.db2.gz JHRKSVIXEJFTNH-AVGNSLFASA-N 2 2 273.377 -1.714 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235899 409481160 /nfs/dbraw/zinc/48/11/60/409481160.db2.gz GUIRKVHOLHWJJG-LLVKDONJSA-N 2 2 266.345 -1.229 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](C[NH3+])C1 ZINC000515350820 409478563 /nfs/dbraw/zinc/47/85/63/409478563.db2.gz DSILMRXEJNNNBS-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](C[NH3+])C1 ZINC000515350820 409478568 /nfs/dbraw/zinc/47/85/68/409478568.db2.gz DSILMRXEJNNNBS-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000424289774 409478782 /nfs/dbraw/zinc/47/87/82/409478782.db2.gz CDRPGYVQIBYQQL-NXEZZACHSA-N 2 2 254.334 -1.196 20 0 CAADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000424183159 409478811 /nfs/dbraw/zinc/47/88/11/409478811.db2.gz IODIADJHAVVERJ-GRYCIOLGSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3COCC[NH2+]3)C[C@@H]21 ZINC000424183159 409478815 /nfs/dbraw/zinc/47/88/15/409478815.db2.gz IODIADJHAVVERJ-GRYCIOLGSA-N 2 2 269.345 -1.094 20 0 CAADLP COCCN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000514789996 409479502 /nfs/dbraw/zinc/47/95/02/409479502.db2.gz XJPOMEFSQKFULU-RYUDHWBXSA-N 2 2 298.387 -1.417 20 0 CAADLP COCCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000514789996 409479510 /nfs/dbraw/zinc/47/95/10/409479510.db2.gz XJPOMEFSQKFULU-RYUDHWBXSA-N 2 2 298.387 -1.417 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000653594202 409474862 /nfs/dbraw/zinc/47/48/62/409474862.db2.gz CULVNCQYEWGJJC-QWRGUYRKSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000653594202 409474864 /nfs/dbraw/zinc/47/48/64/409474864.db2.gz CULVNCQYEWGJJC-QWRGUYRKSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000653594202 409474870 /nfs/dbraw/zinc/47/48/70/409474870.db2.gz CULVNCQYEWGJJC-QWRGUYRKSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000653594202 409474873 /nfs/dbraw/zinc/47/48/73/409474873.db2.gz CULVNCQYEWGJJC-QWRGUYRKSA-N 2 2 274.365 -1.332 20 0 CAADLP COCCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072223 409475260 /nfs/dbraw/zinc/47/52/60/409475260.db2.gz IZIJCWUVKDPUHQ-NSHDSACASA-N 2 2 288.392 -1.171 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCn2ccnn2)[C@H](C[NH3+])C1 ZINC000122645965 409475389 /nfs/dbraw/zinc/47/53/89/409475389.db2.gz LBIWVBDTCHYGSR-SNVBAGLBSA-N 2 2 252.322 -1.231 20 0 CAADLP C[N@H+]1CCN(C(=O)CCn2ccnn2)[C@H](C[NH3+])C1 ZINC000122645965 409475393 /nfs/dbraw/zinc/47/53/93/409475393.db2.gz LBIWVBDTCHYGSR-SNVBAGLBSA-N 2 2 252.322 -1.231 20 0 CAADLP C[N@@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000645685257 409475461 /nfs/dbraw/zinc/47/54/61/409475461.db2.gz XZJGRXNWORGRTF-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[N@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000645685257 409475465 /nfs/dbraw/zinc/47/54/65/409475465.db2.gz XZJGRXNWORGRTF-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP COC1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000646180930 409485603 /nfs/dbraw/zinc/48/56/03/409485603.db2.gz LERVCLJYQFPQDZ-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646335851 409487776 /nfs/dbraw/zinc/48/77/76/409487776.db2.gz AAHRDPAAFABPCQ-QWRGUYRKSA-N 2 2 266.345 -1.371 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646335849 409488041 /nfs/dbraw/zinc/48/80/41/409488041.db2.gz AAHRDPAAFABPCQ-GHMZBOCLSA-N 2 2 266.345 -1.371 20 0 CAADLP CN1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835327 409495298 /nfs/dbraw/zinc/49/52/98/409495298.db2.gz CSHAVYWQAKOSRI-ZJUUUORDSA-N 2 2 254.334 -1.292 20 0 CAADLP CN1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835327 409495300 /nfs/dbraw/zinc/49/53/00/409495300.db2.gz CSHAVYWQAKOSRI-ZJUUUORDSA-N 2 2 254.334 -1.292 20 0 CAADLP CN1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C[NH3+])C1 ZINC000646833193 409495555 /nfs/dbraw/zinc/49/55/55/409495555.db2.gz OUFVXQFOQBWBPT-JTQLQIEISA-N 2 2 269.349 -2.481 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[N@H+]1CC=CCC1 ZINC000646557783 409489327 /nfs/dbraw/zinc/48/93/27/409489327.db2.gz TWSVQBHDPMXHMZ-UHFFFAOYSA-N 2 2 266.345 -1.204 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[N@@H+]1CC=CCC1 ZINC000646557783 409489330 /nfs/dbraw/zinc/48/93/30/409489330.db2.gz TWSVQBHDPMXHMZ-UHFFFAOYSA-N 2 2 266.345 -1.204 20 0 CAADLP CC(C)([NH3+])CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000646427759 409489350 /nfs/dbraw/zinc/48/93/50/409489350.db2.gz PALGOSUGVZLEFF-UHFFFAOYSA-N 2 2 286.376 -1.322 20 0 CAADLP [NH3+]C1(CC(=O)NCC(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000646427783 409489427 /nfs/dbraw/zinc/48/94/27/409489427.db2.gz QFFJZNKJKGFNOS-UHFFFAOYSA-N 2 2 298.387 -1.178 20 0 CAADLP CC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)C[NH2+]C1 ZINC000646427693 409489481 /nfs/dbraw/zinc/48/94/81/409489481.db2.gz IQGNIUIVHRESGF-UHFFFAOYSA-N 2 2 284.360 -1.840 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000653775377 409490126 /nfs/dbraw/zinc/49/01/26/409490126.db2.gz ZULCAISIRDQWKA-SNVBAGLBSA-N 2 2 259.350 -1.267 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000653775377 409490132 /nfs/dbraw/zinc/49/01/32/409490132.db2.gz ZULCAISIRDQWKA-SNVBAGLBSA-N 2 2 259.350 -1.267 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H](C[NH3+])C1 ZINC000646833154 409494761 /nfs/dbraw/zinc/49/47/61/409494761.db2.gz HHDIGOCDQRMKMI-GFCCVEGCSA-N 2 2 291.355 -1.087 20 0 CAADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cccnc2)[C@H](C[NH3+])C1 ZINC000646833154 409494765 /nfs/dbraw/zinc/49/47/65/409494765.db2.gz HHDIGOCDQRMKMI-GFCCVEGCSA-N 2 2 291.355 -1.087 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000659648598 409561235 /nfs/dbraw/zinc/56/12/35/409561235.db2.gz UIEOZGNHKVIYCQ-RYUDHWBXSA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000659648597 409562461 /nfs/dbraw/zinc/56/24/61/409562461.db2.gz UIEOZGNHKVIYCQ-NWDGAFQWSA-N 2 2 288.392 -1.071 20 0 CAADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659716634 409569951 /nfs/dbraw/zinc/56/99/51/409569951.db2.gz BNANQEHNACOOLR-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659714319 409564686 /nfs/dbraw/zinc/56/46/86/409564686.db2.gz UKWOVQJRWGDPAT-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP [NH3+]CCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659711363 409565275 /nfs/dbraw/zinc/56/52/75/409565275.db2.gz ZPPMYHDCTSSSLZ-LLVKDONJSA-N 2 2 284.360 -1.616 20 0 CAADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659708906 409566530 /nfs/dbraw/zinc/56/65/30/409566530.db2.gz BVTLRHWGTFQMTB-JTQLQIEISA-N 2 2 270.333 -2.006 20 0 CAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000649075062 409504300 /nfs/dbraw/zinc/50/43/00/409504300.db2.gz VUYFAGGSOGPXHG-NWDGAFQWSA-N 2 2 298.387 -1.105 20 0 CAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000649075062 409504308 /nfs/dbraw/zinc/50/43/08/409504308.db2.gz VUYFAGGSOGPXHG-NWDGAFQWSA-N 2 2 298.387 -1.105 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659732262 409567723 /nfs/dbraw/zinc/56/77/23/409567723.db2.gz ZIEUYWPVSWUFKM-NSHDSACASA-N 2 2 298.387 -1.309 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659732262 409567731 /nfs/dbraw/zinc/56/77/31/409567731.db2.gz ZIEUYWPVSWUFKM-NSHDSACASA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000649312488 409507543 /nfs/dbraw/zinc/50/75/43/409507543.db2.gz UPSJRKVDKFZTRP-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000649312488 409507547 /nfs/dbraw/zinc/50/75/47/409507547.db2.gz UPSJRKVDKFZTRP-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000649312154 409507820 /nfs/dbraw/zinc/50/78/20/409507820.db2.gz UPSJRKVDKFZTRP-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000649312154 409507822 /nfs/dbraw/zinc/50/78/22/409507822.db2.gz UPSJRKVDKFZTRP-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000649312489 409507834 /nfs/dbraw/zinc/50/78/34/409507834.db2.gz UPSJRKVDKFZTRP-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000649312489 409507836 /nfs/dbraw/zinc/50/78/36/409507836.db2.gz UPSJRKVDKFZTRP-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000649312153 409508229 /nfs/dbraw/zinc/50/82/29/409508229.db2.gz UPSJRKVDKFZTRP-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000649312153 409508235 /nfs/dbraw/zinc/50/82/35/409508235.db2.gz UPSJRKVDKFZTRP-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP CCO[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000405563131 409512587 /nfs/dbraw/zinc/51/25/87/409512587.db2.gz FBEODMWVAGHHIU-ZYHUDNBSSA-N 2 2 296.371 -1.120 20 0 CAADLP CCO[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C[NH3+] ZINC000405563131 409512590 /nfs/dbraw/zinc/51/25/90/409512590.db2.gz FBEODMWVAGHHIU-ZYHUDNBSSA-N 2 2 296.371 -1.120 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656089773 409529464 /nfs/dbraw/zinc/52/94/64/409529464.db2.gz VWKMLSYJLYRCNE-NWDGAFQWSA-N 2 2 296.371 -1.962 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656089773 409529475 /nfs/dbraw/zinc/52/94/75/409529475.db2.gz VWKMLSYJLYRCNE-NWDGAFQWSA-N 2 2 296.371 -1.962 20 0 CAADLP C[N@@H+]1CCN(c2cncc(OCCO)n2)[C@@H](C[NH3+])C1 ZINC000656606157 409533685 /nfs/dbraw/zinc/53/36/85/409533685.db2.gz OPQNANIUYLDAHP-JTQLQIEISA-N 2 2 267.333 -1.073 20 0 CAADLP C[N@H+]1CCN(c2cncc(OCCO)n2)[C@@H](C[NH3+])C1 ZINC000656606157 409533700 /nfs/dbraw/zinc/53/37/00/409533700.db2.gz OPQNANIUYLDAHP-JTQLQIEISA-N 2 2 267.333 -1.073 20 0 CAADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659716638 409568974 /nfs/dbraw/zinc/56/89/74/409568974.db2.gz BNANQEHNACOOLR-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H](O)C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624119015 409541079 /nfs/dbraw/zinc/54/10/79/409541079.db2.gz UZCOHHIRLXBWBR-SFYZADRCSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@H](O)C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624119015 409541089 /nfs/dbraw/zinc/54/10/89/409541089.db2.gz UZCOHHIRLXBWBR-SFYZADRCSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H](O)C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624119014 409541184 /nfs/dbraw/zinc/54/11/84/409541184.db2.gz UZCOHHIRLXBWBR-JGVFFNPUSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H](O)C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](C)C1 ZINC000624119014 409541189 /nfs/dbraw/zinc/54/11/89/409541189.db2.gz UZCOHHIRLXBWBR-JGVFFNPUSA-N 2 2 267.337 -1.412 20 0 CAADLP Nc1nc(NCC2([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000624159674 409547101 /nfs/dbraw/zinc/54/71/01/409547101.db2.gz LZQSYKKBUBALJQ-UHFFFAOYSA-N 2 2 265.321 -1.605 20 0 CAADLP Nc1nc(NCC[N@@H+]2CCCOCC2)nc(N)[nH+]1 ZINC000624145335 409547541 /nfs/dbraw/zinc/54/75/41/409547541.db2.gz UABRYUMBORNRFF-UHFFFAOYSA-N 2 2 253.310 -1.747 20 0 CAADLP Nc1nc(NCC[N@H+]2CCCOCC2)nc(N)[nH+]1 ZINC000624145335 409547546 /nfs/dbraw/zinc/54/75/46/409547546.db2.gz UABRYUMBORNRFF-UHFFFAOYSA-N 2 2 253.310 -1.747 20 0 CAADLP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659719668 409570282 /nfs/dbraw/zinc/57/02/82/409570282.db2.gz JQEGINCCPPYXGP-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000659752349 409572142 /nfs/dbraw/zinc/57/21/42/409572142.db2.gz YZIJWUZJFDPHPC-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259294 409584686 /nfs/dbraw/zinc/58/46/86/409584686.db2.gz UPWRHOFYBDTZDA-GHMZBOCLSA-N 2 2 277.390 -1.012 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259294 409584691 /nfs/dbraw/zinc/58/46/91/409584691.db2.gz UPWRHOFYBDTZDA-GHMZBOCLSA-N 2 2 277.390 -1.012 20 0 CAADLP OCCN(CC[NH+]1CCOCC1)C[C@@H]1C[NH2+]CCO1 ZINC000662261103 409586236 /nfs/dbraw/zinc/58/62/36/409586236.db2.gz UHDUOBZOGPXMLT-ZDUSSCGKSA-N 2 2 273.377 -1.399 20 0 CAADLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662277915 409586810 /nfs/dbraw/zinc/58/68/10/409586810.db2.gz VHKKHRLXIAUEOC-NXEZZACHSA-N 2 2 263.363 -1.272 20 0 CAADLP NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662277915 409586817 /nfs/dbraw/zinc/58/68/17/409586817.db2.gz VHKKHRLXIAUEOC-NXEZZACHSA-N 2 2 263.363 -1.272 20 0 CAADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662277920 409587309 /nfs/dbraw/zinc/58/73/09/409587309.db2.gz VHKKHRLXIAUEOC-VHSXEESVSA-N 2 2 263.363 -1.272 20 0 CAADLP NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662277920 409587314 /nfs/dbraw/zinc/58/73/14/409587314.db2.gz VHKKHRLXIAUEOC-VHSXEESVSA-N 2 2 263.363 -1.272 20 0 CAADLP C[C@@H]1C[N@H+](CCOCC[NH3+])CCN1S(C)(=O)=O ZINC000662311518 409589266 /nfs/dbraw/zinc/58/92/66/409589266.db2.gz UFQAMDWUXOELJS-SNVBAGLBSA-N 2 2 265.379 -1.073 20 0 CAADLP C[C@@H]1C[N@@H+](CCOCC[NH3+])CCN1S(C)(=O)=O ZINC000662311518 409589273 /nfs/dbraw/zinc/58/92/73/409589273.db2.gz UFQAMDWUXOELJS-SNVBAGLBSA-N 2 2 265.379 -1.073 20 0 CAADLP [NH3+]CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H](O)CO ZINC000662287622 409590330 /nfs/dbraw/zinc/59/03/30/409590330.db2.gz FJHPFLHCNCSHNB-NSHDSACASA-N 3 2 274.365 -2.578 20 0 CAADLP [NH3+]CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H](O)CO ZINC000662287622 409590341 /nfs/dbraw/zinc/59/03/41/409590341.db2.gz FJHPFLHCNCSHNB-NSHDSACASA-N 3 2 274.365 -2.578 20 0 CAADLP [NH3+]CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662287621 409592012 /nfs/dbraw/zinc/59/20/12/409592012.db2.gz FJHPFLHCNCSHNB-LLVKDONJSA-N 3 2 274.365 -2.578 20 0 CAADLP [NH3+]CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662287621 409592021 /nfs/dbraw/zinc/59/20/21/409592021.db2.gz FJHPFLHCNCSHNB-LLVKDONJSA-N 3 2 274.365 -2.578 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])NC1=O ZINC000662428990 409593518 /nfs/dbraw/zinc/59/35/18/409593518.db2.gz MQFMAEFHRVWWDI-RKDXNWHRSA-N 2 2 255.322 -1.889 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])NC1=O ZINC000662428990 409593525 /nfs/dbraw/zinc/59/35/25/409593525.db2.gz MQFMAEFHRVWWDI-RKDXNWHRSA-N 2 2 255.322 -1.889 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])NC1=O ZINC000662428989 409593999 /nfs/dbraw/zinc/59/39/99/409593999.db2.gz MQFMAEFHRVWWDI-IUCAKERBSA-N 2 2 255.322 -1.889 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])NC1=O ZINC000662428989 409594006 /nfs/dbraw/zinc/59/40/06/409594006.db2.gz MQFMAEFHRVWWDI-IUCAKERBSA-N 2 2 255.322 -1.889 20 0 CAADLP CC[C@@H]([NH2+]C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000662527776 409599224 /nfs/dbraw/zinc/59/92/24/409599224.db2.gz YZRUYUJOLBNGST-LLVKDONJSA-N 2 2 286.376 -1.451 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)[C@@H](C)CO1 ZINC000662632052 409601866 /nfs/dbraw/zinc/60/18/66/409601866.db2.gz WZCBQJYOVYHQJM-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)[C@@H](C)CO1 ZINC000662632052 409601874 /nfs/dbraw/zinc/60/18/74/409601874.db2.gz WZCBQJYOVYHQJM-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000662660077 409602194 /nfs/dbraw/zinc/60/21/94/409602194.db2.gz XVLKXOGKCRXRDR-QWRGUYRKSA-N 2 2 257.334 -1.201 20 0 CAADLP O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)C1(O)C[NH2+]C1 ZINC000662667109 409602207 /nfs/dbraw/zinc/60/22/07/409602207.db2.gz XTHLNMVGODQDKD-LLVKDONJSA-N 2 2 269.345 -1.356 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662636018 409602958 /nfs/dbraw/zinc/60/29/58/409602958.db2.gz XICDSZJJGXKQJD-LBPRGKRZSA-N 3 2 272.393 -1.026 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662636018 409602966 /nfs/dbraw/zinc/60/29/66/409602966.db2.gz XICDSZJJGXKQJD-LBPRGKRZSA-N 3 2 272.393 -1.026 20 0 CAADLP CC(C)(CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCOCC1 ZINC000662661869 409603741 /nfs/dbraw/zinc/60/37/41/409603741.db2.gz KQXQSKCBVBUPOA-UHFFFAOYSA-N 2 2 257.334 -1.452 20 0 CAADLP [NH3+]CCOCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656265 409603838 /nfs/dbraw/zinc/60/38/38/409603838.db2.gz OPTOJOOPPSVPQJ-NSHDSACASA-N 2 2 257.334 -1.105 20 0 CAADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)C1(O)C[NH2+]C1 ZINC000662675301 409604037 /nfs/dbraw/zinc/60/40/37/409604037.db2.gz KOWHGQNDSFCISR-UHFFFAOYSA-N 2 2 292.339 -1.131 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662632510 409604231 /nfs/dbraw/zinc/60/42/31/409604231.db2.gz DEWSCVPEPKBDPT-UWVGGRQHSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662632510 409604240 /nfs/dbraw/zinc/60/42/40/409604240.db2.gz DEWSCVPEPKBDPT-UWVGGRQHSA-N 2 2 272.349 -1.713 20 0 CAADLP Cc1nc(N2CCN(C(=O)C3(O)C[NH2+]C3)CC2)cc[nH+]1 ZINC000662793398 409605961 /nfs/dbraw/zinc/60/59/61/409605961.db2.gz GSZPVSDRBIPGHO-UHFFFAOYSA-N 2 2 277.328 -1.232 20 0 CAADLP CCN1CC[NH+](CCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758353 409606631 /nfs/dbraw/zinc/60/66/31/409606631.db2.gz QXGSHUHHZZAOSI-UHFFFAOYSA-N 2 2 270.377 -1.536 20 0 CAADLP O=C(N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1(O)C[NH2+]C1 ZINC000662767576 409608688 /nfs/dbraw/zinc/60/86/88/409608688.db2.gz WOJFZUJUAKEXMM-SNVBAGLBSA-N 2 2 282.344 -2.257 20 0 CAADLP C[C@H](CNC(=O)C1(O)C[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000662758363 409608941 /nfs/dbraw/zinc/60/89/41/409608941.db2.gz QYEQHLBJMWRYGG-LLVKDONJSA-N 2 2 270.377 -1.680 20 0 CAADLP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662956226 409615747 /nfs/dbraw/zinc/61/57/47/409615747.db2.gz XAWTYXPUQBMYRZ-RYUDHWBXSA-N 2 2 296.371 -1.521 20 0 CAADLP COc1c(N)[nH+]cnc1NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000584729556 409707665 /nfs/dbraw/zinc/70/76/65/409707665.db2.gz BRYYFLJRKXUURR-CYBMUJFWSA-N 2 2 297.359 -0.438 20 0 CAADLP C[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430725582 409651841 /nfs/dbraw/zinc/65/18/41/409651841.db2.gz XYUJESNMXZXDJO-JTQLQIEISA-N 2 2 267.333 -0.499 20 0 CAADLP Cc1nc(NC[C@@]2(CO)COCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000641690503 409710965 /nfs/dbraw/zinc/71/09/65/409710965.db2.gz XUDGRWXMCPQTDQ-GFCCVEGCSA-N 2 2 282.348 -0.991 20 0 CAADLP Cc1nc(NC[C@]2(CO)COCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000641690504 409711005 /nfs/dbraw/zinc/71/10/05/409711005.db2.gz XUDGRWXMCPQTDQ-LBPRGKRZSA-N 2 2 282.348 -0.991 20 0 CAADLP C[NH2+]CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430728429 409662612 /nfs/dbraw/zinc/66/26/12/409662612.db2.gz CKBRJTHNRLJZJE-UHFFFAOYSA-N 2 2 267.333 -0.627 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000647828583 409667832 /nfs/dbraw/zinc/66/78/32/409667832.db2.gz WHNRSCNFBFVDNB-SNVBAGLBSA-N 2 2 295.343 -0.600 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000647828583 409667846 /nfs/dbraw/zinc/66/78/46/409667846.db2.gz WHNRSCNFBFVDNB-SNVBAGLBSA-N 2 2 295.343 -0.600 20 0 CAADLP CN(C)c1nc(N)nc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629577790 409736134 /nfs/dbraw/zinc/73/61/34/409736134.db2.gz IZIFDNNAAHLSQZ-UHFFFAOYSA-N 2 2 269.353 -1.073 20 0 CAADLP CN(C)c1nc(N)nc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629577790 409736141 /nfs/dbraw/zinc/73/61/41/409736141.db2.gz IZIFDNNAAHLSQZ-UHFFFAOYSA-N 2 2 269.353 -1.073 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001195860370 782018580 /nfs/dbraw/zinc/01/85/80/782018580.db2.gz VZJFMLPSDHNKJW-VXGBXAGGSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1O ZINC001195860370 782018590 /nfs/dbraw/zinc/01/85/90/782018590.db2.gz VZJFMLPSDHNKJW-VXGBXAGGSA-N 2 2 298.387 -1.622 20 0 CAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859057 782018791 /nfs/dbraw/zinc/01/87/91/782018791.db2.gz DBWGEGMAJVSNAA-GMTAPVOTSA-N 2 2 286.376 -1.766 20 0 CAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859057 782018803 /nfs/dbraw/zinc/01/88/03/782018803.db2.gz DBWGEGMAJVSNAA-GMTAPVOTSA-N 2 2 286.376 -1.766 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000038031315 174024652 /nfs/dbraw/zinc/02/46/52/174024652.db2.gz OHSRAAMGLZWOLF-UHFFFAOYSA-N 2 2 284.360 -1.791 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000038031315 174024654 /nfs/dbraw/zinc/02/46/54/174024654.db2.gz OHSRAAMGLZWOLF-UHFFFAOYSA-N 2 2 284.360 -1.791 20 0 CAADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000038031326 174024668 /nfs/dbraw/zinc/02/46/68/174024668.db2.gz RFMNEICEGWFSOU-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)CC(=O)N1CC[NH2+]CC1 ZINC000038031326 174024669 /nfs/dbraw/zinc/02/46/69/174024669.db2.gz RFMNEICEGWFSOU-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031549 174026037 /nfs/dbraw/zinc/02/60/37/174026037.db2.gz LGODCUBVRJXKRU-QMMMGPOBSA-N 2 2 271.321 -2.067 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031549 174026039 /nfs/dbraw/zinc/02/60/39/174026039.db2.gz LGODCUBVRJXKRU-QMMMGPOBSA-N 2 2 271.321 -2.067 20 0 CAADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031529 174026085 /nfs/dbraw/zinc/02/60/85/174026085.db2.gz FWSADJVCQMNSLU-JTQLQIEISA-N 2 2 256.350 -1.173 20 0 CAADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031529 174026086 /nfs/dbraw/zinc/02/60/86/174026086.db2.gz FWSADJVCQMNSLU-JTQLQIEISA-N 2 2 256.350 -1.173 20 0 CAADLP C[N@H+](CCN1C(=O)CCC1=O)CC(=O)N1CC[NH2+]CC1 ZINC000038031426 174026178 /nfs/dbraw/zinc/02/61/78/174026178.db2.gz YJKWFEUNDQTHBR-UHFFFAOYSA-N 2 2 282.344 -1.501 20 0 CAADLP C[N@@H+](CCN1C(=O)CCC1=O)CC(=O)N1CC[NH2+]CC1 ZINC000038031426 174026180 /nfs/dbraw/zinc/02/61/80/174026180.db2.gz YJKWFEUNDQTHBR-UHFFFAOYSA-N 2 2 282.344 -1.501 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031530 174026538 /nfs/dbraw/zinc/02/65/38/174026538.db2.gz FWSADJVCQMNSLU-SNVBAGLBSA-N 2 2 256.350 -1.173 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031530 174026540 /nfs/dbraw/zinc/02/65/40/174026540.db2.gz FWSADJVCQMNSLU-SNVBAGLBSA-N 2 2 256.350 -1.173 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000186803513 533680716 /nfs/dbraw/zinc/68/07/16/533680716.db2.gz QPMSNFYCPAAKBZ-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000186803513 533680725 /nfs/dbraw/zinc/68/07/25/533680725.db2.gz QPMSNFYCPAAKBZ-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000347742768 226235770 /nfs/dbraw/zinc/23/57/70/226235770.db2.gz DJQLURNUUVZZBE-NSHDSACASA-N 2 2 277.328 -1.395 20 0 CAADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000347742768 226235774 /nfs/dbraw/zinc/23/57/74/226235774.db2.gz DJQLURNUUVZZBE-NSHDSACASA-N 2 2 277.328 -1.395 20 0 CAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000354696675 227075589 /nfs/dbraw/zinc/07/55/89/227075589.db2.gz SIINLGIMWJAGQO-LBPRGKRZSA-N 2 2 298.387 -1.307 20 0 CAADLP NC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001196092538 782027543 /nfs/dbraw/zinc/02/75/43/782027543.db2.gz IHTHVCJNUSYISH-AOOOYVTPSA-N 2 2 265.317 -1.208 20 0 CAADLP NC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1C(N)=O ZINC001196092538 782027552 /nfs/dbraw/zinc/02/75/52/782027552.db2.gz IHTHVCJNUSYISH-AOOOYVTPSA-N 2 2 265.317 -1.208 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000051763595 230159646 /nfs/dbraw/zinc/15/96/46/230159646.db2.gz OLJFPSSCSKTYCJ-CYBMUJFWSA-N 2 2 295.387 -1.050 20 0 CAADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000113516011 230169948 /nfs/dbraw/zinc/16/99/48/230169948.db2.gz HFCUZCYOPOWSDC-NSHDSACASA-N 2 2 268.361 -1.172 20 0 CAADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000113516011 230169953 /nfs/dbraw/zinc/16/99/53/230169953.db2.gz HFCUZCYOPOWSDC-NSHDSACASA-N 2 2 268.361 -1.172 20 0 CAADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000128889655 230174511 /nfs/dbraw/zinc/17/45/11/230174511.db2.gz SOFWMUZEYUWVKA-LLVKDONJSA-N 2 2 257.334 -1.499 20 0 CAADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000167265896 230187729 /nfs/dbraw/zinc/18/77/29/230187729.db2.gz SWUIXJMRAAYRQS-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000167265896 230187733 /nfs/dbraw/zinc/18/77/33/230187733.db2.gz SWUIXJMRAAYRQS-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000167696372 230187906 /nfs/dbraw/zinc/18/79/06/230187906.db2.gz ZTBUMDZHPJHEEA-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803640 230193725 /nfs/dbraw/zinc/19/37/25/230193725.db2.gz AHNYRQQTGOUYIK-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000182862746 230200193 /nfs/dbraw/zinc/20/01/93/230200193.db2.gz SBHVBPOOXBPYGA-LLVKDONJSA-N 2 2 277.328 -1.084 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000182862746 230200197 /nfs/dbraw/zinc/20/01/97/230200197.db2.gz SBHVBPOOXBPYGA-LLVKDONJSA-N 2 2 277.328 -1.084 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC000187282543 230203431 /nfs/dbraw/zinc/20/34/31/230203431.db2.gz KLVAJERBVNVDGL-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC000187282543 230203433 /nfs/dbraw/zinc/20/34/33/230203433.db2.gz KLVAJERBVNVDGL-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC000187282543 230203436 /nfs/dbraw/zinc/20/34/36/230203436.db2.gz KLVAJERBVNVDGL-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC000187282543 230203438 /nfs/dbraw/zinc/20/34/38/230203438.db2.gz KLVAJERBVNVDGL-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000186803531 230203493 /nfs/dbraw/zinc/20/34/93/230203493.db2.gz QPMSNFYCPAAKBZ-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000186803531 230203497 /nfs/dbraw/zinc/20/34/97/230203497.db2.gz QPMSNFYCPAAKBZ-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP COC[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000190006743 230207269 /nfs/dbraw/zinc/20/72/69/230207269.db2.gz RBYCLFXSJVWQLN-SNVBAGLBSA-N 2 2 274.365 -1.643 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000189725172 230208131 /nfs/dbraw/zinc/20/81/31/230208131.db2.gz QPMSNFYCPAAKBZ-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000189725172 230208135 /nfs/dbraw/zinc/20/81/35/230208135.db2.gz QPMSNFYCPAAKBZ-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262318271 230226263 /nfs/dbraw/zinc/22/62/63/230226263.db2.gz CMFNBUWDUALLPJ-CMPLNLGQSA-N 2 2 298.387 -1.229 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262318273 230226810 /nfs/dbraw/zinc/22/68/10/230226810.db2.gz CMFNBUWDUALLPJ-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419431284 230254009 /nfs/dbraw/zinc/25/40/09/230254009.db2.gz XELAPZKVGCNRJV-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419420132 230254048 /nfs/dbraw/zinc/25/40/48/230254048.db2.gz JXMFINRONFPBSP-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419856019 230256276 /nfs/dbraw/zinc/25/62/76/230256276.db2.gz DSQFFPVQRJUUSF-LBPRGKRZSA-N 2 2 298.387 -1.370 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419848748 230256293 /nfs/dbraw/zinc/25/62/93/230256293.db2.gz WWGVXOFZEWDBHY-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420085651 230260550 /nfs/dbraw/zinc/26/05/50/230260550.db2.gz ZJECPICUJFQXCG-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420065393 230260597 /nfs/dbraw/zinc/26/05/97/230260597.db2.gz PSWNDUOMBYUMNK-LBPRGKRZSA-N 2 2 298.387 -1.370 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420087568 230261353 /nfs/dbraw/zinc/26/13/53/230261353.db2.gz FTMLPVMHEXGWKV-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000420373877 230264466 /nfs/dbraw/zinc/26/44/66/230264466.db2.gz GZYNQJBVEJVNCR-WDEREUQCSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000420373877 230264470 /nfs/dbraw/zinc/26/44/70/230264470.db2.gz GZYNQJBVEJVNCR-WDEREUQCSA-N 2 2 268.361 -1.139 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423033850 230266613 /nfs/dbraw/zinc/26/66/13/230266613.db2.gz HGPCRQBOYXFUCE-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000423240554 230268576 /nfs/dbraw/zinc/26/85/76/230268576.db2.gz KQWJXZQUTCNBPQ-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423487997 230271790 /nfs/dbraw/zinc/27/17/90/230271790.db2.gz DBBVSKVKKULZNL-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423602444 230273260 /nfs/dbraw/zinc/27/32/60/230273260.db2.gz GCQBQAGOPXTIRH-VXGBXAGGSA-N 2 2 298.387 -1.668 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423588757 230273303 /nfs/dbraw/zinc/27/33/03/230273303.db2.gz BFTYRULQNOJUFE-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000423671687 230275457 /nfs/dbraw/zinc/27/54/57/230275457.db2.gz CMHFXMUSWGPZCA-QWRGUYRKSA-N 2 2 268.361 -1.031 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423681289 230276404 /nfs/dbraw/zinc/27/64/04/230276404.db2.gz OFDCHXDWDFTGTQ-RYUDHWBXSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423681286 230276862 /nfs/dbraw/zinc/27/68/62/230276862.db2.gz OFDCHXDWDFTGTQ-NEPJUHHUSA-N 2 2 298.387 -1.668 20 0 CAADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1COCC[NH2+]1 ZINC000424166051 230278421 /nfs/dbraw/zinc/27/84/21/230278421.db2.gz FUCSMCHLCUVFJF-NSHDSACASA-N 2 2 257.334 -1.187 20 0 CAADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1COCC[NH2+]1 ZINC000424166051 230278426 /nfs/dbraw/zinc/27/84/26/230278426.db2.gz FUCSMCHLCUVFJF-NSHDSACASA-N 2 2 257.334 -1.187 20 0 CAADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1COCC[NH2+]1 ZINC000424185012 230281193 /nfs/dbraw/zinc/28/11/93/230281193.db2.gz ZBSHCKFXEWDOHN-RYUDHWBXSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1COCC[NH2+]1 ZINC000424185012 230281187 /nfs/dbraw/zinc/28/11/87/230281187.db2.gz ZBSHCKFXEWDOHN-RYUDHWBXSA-N 2 2 269.345 -1.046 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000424199679 230281233 /nfs/dbraw/zinc/28/12/33/230281233.db2.gz ZFIPFTHASNNNHG-MXWKQRLJSA-N 2 2 257.334 -1.190 20 0 CAADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000424199679 230281239 /nfs/dbraw/zinc/28/12/39/230281239.db2.gz ZFIPFTHASNNNHG-MXWKQRLJSA-N 2 2 257.334 -1.190 20 0 CAADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1COCC[NH2+]1 ZINC000424185011 230281494 /nfs/dbraw/zinc/28/14/94/230281494.db2.gz ZBSHCKFXEWDOHN-NWDGAFQWSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1COCC[NH2+]1 ZINC000424185011 230281498 /nfs/dbraw/zinc/28/14/98/230281498.db2.gz ZBSHCKFXEWDOHN-NWDGAFQWSA-N 2 2 269.345 -1.046 20 0 CAADLP [NH3+]CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430769424 230307413 /nfs/dbraw/zinc/30/74/13/230307413.db2.gz UYGJFYMRHYMKRD-SNVBAGLBSA-N 2 2 270.333 -2.006 20 0 CAADLP C[NH+](C)CCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430700178 230309450 /nfs/dbraw/zinc/30/94/50/230309450.db2.gz KSFFVPITHLBIOM-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000431063558 230311257 /nfs/dbraw/zinc/31/12/57/230311257.db2.gz FPQUMMPJXPYGOT-VXGBXAGGSA-N 2 2 298.387 -1.322 20 0 CAADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)N1CC[NH+](C)CC1 ZINC000431007732 230311269 /nfs/dbraw/zinc/31/12/69/230311269.db2.gz WHEQGWJGWPWYQG-GFCCVEGCSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430884465 230311624 /nfs/dbraw/zinc/31/16/24/230311624.db2.gz XAGCVLKZOYXKAC-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430884465 230311626 /nfs/dbraw/zinc/31/16/26/230311626.db2.gz XAGCVLKZOYXKAC-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP [NH3+]CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000430999536 230312594 /nfs/dbraw/zinc/31/25/94/230312594.db2.gz LQAPNIIYJRKGPD-UHFFFAOYSA-N 2 2 264.333 -1.327 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430890424 230312672 /nfs/dbraw/zinc/31/26/72/230312672.db2.gz SVHBAJFIAXFNDT-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430890424 230312675 /nfs/dbraw/zinc/31/26/75/230312675.db2.gz SVHBAJFIAXFNDT-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432534900 230315500 /nfs/dbraw/zinc/31/55/00/230315500.db2.gz IGXDWRVBFWDUKV-GARJFASQSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432534900 230315504 /nfs/dbraw/zinc/31/55/04/230315504.db2.gz IGXDWRVBFWDUKV-GARJFASQSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1[NH2+]CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H]1C ZINC000434668763 230318468 /nfs/dbraw/zinc/31/84/68/230318468.db2.gz COFJDCHLYGKEDL-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000434702347 230318746 /nfs/dbraw/zinc/31/87/46/230318746.db2.gz CAYWSTNLCPVPHQ-ZJUUUORDSA-N 2 2 254.334 -1.325 20 0 CAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]1 ZINC000444264978 230336062 /nfs/dbraw/zinc/33/60/62/230336062.db2.gz KRZNSRVYYIPOIA-VXGBXAGGSA-N 2 2 296.371 -1.602 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447316066 230341177 /nfs/dbraw/zinc/34/11/77/230341177.db2.gz VRIWIVOCBGOQJJ-NZEXEKPDSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447316066 230341183 /nfs/dbraw/zinc/34/11/83/230341183.db2.gz VRIWIVOCBGOQJJ-NZEXEKPDSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447316066 230341186 /nfs/dbraw/zinc/34/11/86/230341186.db2.gz VRIWIVOCBGOQJJ-NZEXEKPDSA-N 2 2 258.362 -1.028 20 0 CAADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2C[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447316066 230341190 /nfs/dbraw/zinc/34/11/90/230341190.db2.gz VRIWIVOCBGOQJJ-NZEXEKPDSA-N 2 2 258.362 -1.028 20 0 CAADLP C[NH+](C)C/C=C\C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000491895198 230361670 /nfs/dbraw/zinc/36/16/70/230361670.db2.gz VVPPCZKGZYIZIV-ARJAWSKDSA-N 2 2 298.387 -1.331 20 0 CAADLP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000517756637 260188426 /nfs/dbraw/zinc/18/84/26/260188426.db2.gz IIOKYTALAWKDDP-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)CN2CCOCC2)CC1 ZINC001251038514 782040255 /nfs/dbraw/zinc/04/02/55/782040255.db2.gz XOHIPBABONECOJ-LBPRGKRZSA-N 2 2 285.392 -1.549 20 0 CAADLP CN1CCN(C(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251038514 782040266 /nfs/dbraw/zinc/04/02/66/782040266.db2.gz XOHIPBABONECOJ-LBPRGKRZSA-N 2 2 285.392 -1.549 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037008759 269086088 /nfs/dbraw/zinc/08/60/88/269086088.db2.gz HIXVZPMARZSVRH-GARJFASQSA-N 2 2 257.334 -1.454 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250373307 269086861 /nfs/dbraw/zinc/08/68/61/269086861.db2.gz JJSBTXPVHUVBEZ-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250373307 269086864 /nfs/dbraw/zinc/08/68/64/269086864.db2.gz JJSBTXPVHUVBEZ-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[NH+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000517367348 269088720 /nfs/dbraw/zinc/08/87/20/269088720.db2.gz IXNYJKNSDUUJEH-LLVKDONJSA-N 2 2 268.361 -1.172 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](C[NH3+])C1 ZINC000517564882 269088760 /nfs/dbraw/zinc/08/87/60/269088760.db2.gz PBZNRIOAUMLYOY-JTQLQIEISA-N 2 2 282.344 -1.373 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517235239 269089045 /nfs/dbraw/zinc/08/90/45/269089045.db2.gz JMRLHRMOXLAUSK-GFCCVEGCSA-N 2 2 299.419 -1.537 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517235239 269089046 /nfs/dbraw/zinc/08/90/46/269089046.db2.gz JMRLHRMOXLAUSK-GFCCVEGCSA-N 2 2 299.419 -1.537 20 0 CAADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000518564219 269089135 /nfs/dbraw/zinc/08/91/35/269089135.db2.gz KYKSLGNHIAFWOL-GHMZBOCLSA-N 2 2 266.345 -1.149 20 0 CAADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000518564219 269089138 /nfs/dbraw/zinc/08/91/38/269089138.db2.gz KYKSLGNHIAFWOL-GHMZBOCLSA-N 2 2 266.345 -1.149 20 0 CAADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000518564221 269089250 /nfs/dbraw/zinc/08/92/50/269089250.db2.gz KYKSLGNHIAFWOL-QWRGUYRKSA-N 2 2 266.345 -1.149 20 0 CAADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000518564221 269089253 /nfs/dbraw/zinc/08/92/53/269089253.db2.gz KYKSLGNHIAFWOL-QWRGUYRKSA-N 2 2 266.345 -1.149 20 0 CAADLP CCN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000522001310 269090019 /nfs/dbraw/zinc/09/00/19/269090019.db2.gz PKYSRISQMMVKGF-MNOVXSKESA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000522137990 269090114 /nfs/dbraw/zinc/09/01/14/269090114.db2.gz WFJVJMDZVBOIFQ-GFCCVEGCSA-N 2 2 298.387 -1.497 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000522137990 269090116 /nfs/dbraw/zinc/09/01/16/269090116.db2.gz WFJVJMDZVBOIFQ-GFCCVEGCSA-N 2 2 298.387 -1.497 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015659 269090351 /nfs/dbraw/zinc/09/03/51/269090351.db2.gz YVBFLSPOTVXOJM-UWVGGRQHSA-N 2 2 295.343 -1.782 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000528633640 269092775 /nfs/dbraw/zinc/09/27/75/269092775.db2.gz IHICSFUJQPMYAW-UTUOFQBUSA-N 2 2 298.387 -1.541 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H]2C(N)=O)CC1 ZINC000528633640 269092776 /nfs/dbraw/zinc/09/27/76/269092776.db2.gz IHICSFUJQPMYAW-UTUOFQBUSA-N 2 2 298.387 -1.541 20 0 CAADLP C[N@@H+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000529389071 269093500 /nfs/dbraw/zinc/09/35/00/269093500.db2.gz QIWQTRBZPIUFPR-WDEREUQCSA-N 3 2 271.365 -1.741 20 0 CAADLP C[N@H+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000529389071 269093502 /nfs/dbraw/zinc/09/35/02/269093502.db2.gz QIWQTRBZPIUFPR-WDEREUQCSA-N 3 2 271.365 -1.741 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196954057 782044062 /nfs/dbraw/zinc/04/40/62/782044062.db2.gz PCWVKDYQUCIDCU-VXGBXAGGSA-N 2 2 287.360 -2.138 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196954057 782044070 /nfs/dbraw/zinc/04/40/70/782044070.db2.gz PCWVKDYQUCIDCU-VXGBXAGGSA-N 2 2 287.360 -2.138 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197057586 782047679 /nfs/dbraw/zinc/04/76/79/782047679.db2.gz FZGCQQASOIEVIE-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197057586 782047687 /nfs/dbraw/zinc/04/76/87/782047687.db2.gz FZGCQQASOIEVIE-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CC(C)[C@@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000158327450 276008255 /nfs/dbraw/zinc/00/82/55/276008255.db2.gz DTKDUMFHYLYKHP-GFCCVEGCSA-N 2 2 256.350 -1.092 20 0 CAADLP CC(=O)NC[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000261987619 277035771 /nfs/dbraw/zinc/03/57/71/277035771.db2.gz COHWZTXWIKFBGM-CYBMUJFWSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(=O)NC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000261987619 277035773 /nfs/dbraw/zinc/03/57/73/277035773.db2.gz COHWZTXWIKFBGM-CYBMUJFWSA-N 2 2 298.387 -1.355 20 0 CAADLP CNC(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330443797 277228161 /nfs/dbraw/zinc/22/81/61/277228161.db2.gz URCTYWJKMDJFLR-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CNC(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330443797 277228164 /nfs/dbraw/zinc/22/81/64/277228164.db2.gz URCTYWJKMDJFLR-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000432511119 278249887 /nfs/dbraw/zinc/24/98/87/278249887.db2.gz BUJRDOPKFQKTNS-FIQHERPVSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000110658110 278320083 /nfs/dbraw/zinc/32/00/83/278320083.db2.gz GGQRNUYBOUYKHO-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000110658110 278320084 /nfs/dbraw/zinc/32/00/84/278320084.db2.gz GGQRNUYBOUYKHO-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976750 280103685 /nfs/dbraw/zinc/10/36/85/280103685.db2.gz XCBGSIYZRBJWIA-RYUDHWBXSA-N 2 2 269.345 -1.092 20 0 CAADLP C[NH+](C)C/C=C/C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000372527933 282018185 /nfs/dbraw/zinc/01/81/85/282018185.db2.gz VNHDWDQNEWWEEL-ITKZLYELSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)C/C=C/C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000372527933 282018186 /nfs/dbraw/zinc/01/81/86/282018186.db2.gz VNHDWDQNEWWEEL-ITKZLYELSA-N 2 2 298.387 -1.251 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361284778 282057196 /nfs/dbraw/zinc/05/71/96/282057196.db2.gz ADEQUWHWKNUJSR-QWRGUYRKSA-N 2 2 257.334 -1.548 20 0 CAADLP C[NH+]1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000352197972 290103269 /nfs/dbraw/zinc/10/32/69/290103269.db2.gz UXWDPRZWJNFBCB-WOPDTQHZSA-N 2 2 269.345 -1.142 20 0 CAADLP C[NH+]1CCO[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000352197972 290103271 /nfs/dbraw/zinc/10/32/71/290103271.db2.gz UXWDPRZWJNFBCB-WOPDTQHZSA-N 2 2 269.345 -1.142 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000352197972 290103274 /nfs/dbraw/zinc/10/32/74/290103274.db2.gz UXWDPRZWJNFBCB-WOPDTQHZSA-N 2 2 269.345 -1.142 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000352197972 290103276 /nfs/dbraw/zinc/10/32/76/290103276.db2.gz UXWDPRZWJNFBCB-WOPDTQHZSA-N 2 2 269.345 -1.142 20 0 CAADLP C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000378385723 290324730 /nfs/dbraw/zinc/32/47/30/290324730.db2.gz YWDXTDLHKNSECX-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000378385723 290324735 /nfs/dbraw/zinc/32/47/35/290324735.db2.gz YWDXTDLHKNSECX-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197817918 782059105 /nfs/dbraw/zinc/05/91/05/782059105.db2.gz UELHEZWPKDELSO-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197817918 782059108 /nfs/dbraw/zinc/05/91/08/782059108.db2.gz UELHEZWPKDELSO-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198030390 782062053 /nfs/dbraw/zinc/06/20/53/782062053.db2.gz ZMVXTJWGHAPYTA-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198030390 782062064 /nfs/dbraw/zinc/06/20/64/782062064.db2.gz ZMVXTJWGHAPYTA-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198030390 782062075 /nfs/dbraw/zinc/06/20/75/782062075.db2.gz ZMVXTJWGHAPYTA-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001198030390 782062087 /nfs/dbraw/zinc/06/20/87/782062087.db2.gz ZMVXTJWGHAPYTA-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP [NH3+]CCOCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000516468608 295234921 /nfs/dbraw/zinc/23/49/21/295234921.db2.gz ZZTPSJMJIFXWMJ-LBPRGKRZSA-N 3 2 270.377 -1.142 20 0 CAADLP [NH3+]CCOCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000516468608 295234923 /nfs/dbraw/zinc/23/49/23/295234923.db2.gz ZZTPSJMJIFXWMJ-LBPRGKRZSA-N 3 2 270.377 -1.142 20 0 CAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000423624599 300098416 /nfs/dbraw/zinc/09/84/16/300098416.db2.gz DIEZDEXQOUZEAO-QWRGUYRKSA-N 2 2 268.361 -1.031 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292181 782063799 /nfs/dbraw/zinc/06/37/99/782063799.db2.gz KQCLNDBBRSZVSD-CYZMBNFOSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292181 782063811 /nfs/dbraw/zinc/06/38/11/782063811.db2.gz KQCLNDBBRSZVSD-CYZMBNFOSA-N 2 2 296.371 -1.105 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198275908 782064030 /nfs/dbraw/zinc/06/40/30/782064030.db2.gz GAUOOECVNNLXCW-VXGBXAGGSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198275908 782064043 /nfs/dbraw/zinc/06/40/43/782064043.db2.gz GAUOOECVNNLXCW-VXGBXAGGSA-N 2 2 282.344 -1.494 20 0 CAADLP O=C(CC[N@@H+]1CCn2cnnc2C1)N1CC[NH2+]CC1 ZINC000081535862 782064824 /nfs/dbraw/zinc/06/48/24/782064824.db2.gz IRMWGFSQZDAFJK-UHFFFAOYSA-N 2 2 264.333 -1.084 20 0 CAADLP O=C(CC[N@H+]1CCn2cnnc2C1)N1CC[NH2+]CC1 ZINC000081535862 782064833 /nfs/dbraw/zinc/06/48/33/782064833.db2.gz IRMWGFSQZDAFJK-UHFFFAOYSA-N 2 2 264.333 -1.084 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001199105014 782074782 /nfs/dbraw/zinc/07/47/82/782074782.db2.gz YKCOSZZVPGMBLG-HBNTYKKESA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001199105014 782074788 /nfs/dbraw/zinc/07/47/88/782074788.db2.gz YKCOSZZVPGMBLG-HBNTYKKESA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001199105014 782074795 /nfs/dbraw/zinc/07/47/95/782074795.db2.gz YKCOSZZVPGMBLG-HBNTYKKESA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001199105014 782074802 /nfs/dbraw/zinc/07/48/02/782074802.db2.gz YKCOSZZVPGMBLG-HBNTYKKESA-N 2 2 286.376 -1.638 20 0 CAADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(N)=O)c1cccnc1 ZINC001152618000 782082058 /nfs/dbraw/zinc/08/20/58/782082058.db2.gz HSGSIGLLIHEKJY-GFCCVEGCSA-N 2 2 279.344 -1.125 20 0 CAADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152620543 782082744 /nfs/dbraw/zinc/08/27/44/782082744.db2.gz NYVICKGJOJIHTE-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152620543 782082748 /nfs/dbraw/zinc/08/27/48/782082748.db2.gz NYVICKGJOJIHTE-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152620543 782082756 /nfs/dbraw/zinc/08/27/56/782082756.db2.gz NYVICKGJOJIHTE-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152620543 782082766 /nfs/dbraw/zinc/08/27/66/782082766.db2.gz NYVICKGJOJIHTE-MNOVXSKESA-N 2 2 286.376 -1.371 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001199355077 782077359 /nfs/dbraw/zinc/07/73/59/782077359.db2.gz CPCGUAUOOJZFBF-SRVKXCTJSA-N 2 2 291.359 -1.720 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001199355078 782078588 /nfs/dbraw/zinc/07/85/88/782078588.db2.gz CPCGUAUOOJZFBF-WOPDTQHZSA-N 2 2 291.359 -1.720 20 0 CAADLP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406302 782080699 /nfs/dbraw/zinc/08/06/99/782080699.db2.gz SSQGVHMNVCIUKK-QJPTWQEYSA-N 2 2 298.343 -1.948 20 0 CAADLP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406302 782080706 /nfs/dbraw/zinc/08/07/06/782080706.db2.gz SSQGVHMNVCIUKK-QJPTWQEYSA-N 2 2 298.343 -1.948 20 0 CAADLP COC(=O)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000575312917 335092543 /nfs/dbraw/zinc/09/25/43/335092543.db2.gz HKZKVXGUASUHNF-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000575312917 335092545 /nfs/dbraw/zinc/09/25/45/335092545.db2.gz HKZKVXGUASUHNF-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCNc1cc[nH+]cc1 ZINC000563065181 327866048 /nfs/dbraw/zinc/86/60/48/327866048.db2.gz NIXIZLXYDJSUSB-UHFFFAOYSA-N 2 2 277.328 -1.537 20 0 CAADLP C[NH2+]CC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000563094347 327923387 /nfs/dbraw/zinc/92/33/87/327923387.db2.gz FCGOQCUKKHXLLD-UHFFFAOYSA-N 2 2 273.333 -1.460 20 0 CAADLP O[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000583694102 329004538 /nfs/dbraw/zinc/00/45/38/329004538.db2.gz WOIUQVUOBPMESD-ZIAGYGMSSA-N 2 2 287.404 -1.274 20 0 CAADLP COCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563439554 328065456 /nfs/dbraw/zinc/06/54/56/328065456.db2.gz GRNVJKIHNQGZQA-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP COCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563439554 328065458 /nfs/dbraw/zinc/06/54/58/328065458.db2.gz GRNVJKIHNQGZQA-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP [NH3+][C@@H]1C[C@H]2CN(CCC[NH+]3CCOCC3)CCN2C1=O ZINC000563442036 328066464 /nfs/dbraw/zinc/06/64/64/328066464.db2.gz NJLHUNIFHHQOCV-QWHCGFSZSA-N 2 2 282.388 -1.048 20 0 CAADLP [NH3+][C@H]1C[C@H]2CN(CCC[NH+]3CCOCC3)CCN2C1=O ZINC000563442037 328066552 /nfs/dbraw/zinc/06/65/52/328066552.db2.gz NJLHUNIFHHQOCV-STQMWFEESA-N 2 2 282.388 -1.048 20 0 CAADLP [NH3+][C@H]1C[C@@H]2CN(CCC[NH+]3CCOCC3)CCN2C1=O ZINC000563442035 328066612 /nfs/dbraw/zinc/06/66/12/328066612.db2.gz NJLHUNIFHHQOCV-OLZOCXBDSA-N 2 2 282.388 -1.048 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000563457843 328067967 /nfs/dbraw/zinc/06/79/67/328067967.db2.gz OFTSFIMETLTPIN-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC000310421483 328076710 /nfs/dbraw/zinc/07/67/10/328076710.db2.gz QSMWFOIBTVEMIL-JTQLQIEISA-N 2 2 265.379 -1.420 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC000310421483 328076711 /nfs/dbraw/zinc/07/67/11/328076711.db2.gz QSMWFOIBTVEMIL-JTQLQIEISA-N 2 2 265.379 -1.420 20 0 CAADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563628554 328078576 /nfs/dbraw/zinc/07/85/76/328078576.db2.gz DAGLHTXOIJEUCP-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563628554 328078578 /nfs/dbraw/zinc/07/85/78/328078578.db2.gz DAGLHTXOIJEUCP-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CN=NC2=O)[C@@H](C[NH3+])C1 ZINC000571162504 328089489 /nfs/dbraw/zinc/08/94/89/328089489.db2.gz CSCYDONXLCORTG-QMMMGPOBSA-N 2 2 254.294 -1.915 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CN=NC2=O)[C@@H](C[NH3+])C1 ZINC000571162504 328089490 /nfs/dbraw/zinc/08/94/90/328089490.db2.gz CSCYDONXLCORTG-QMMMGPOBSA-N 2 2 254.294 -1.915 20 0 CAADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000571336842 328111431 /nfs/dbraw/zinc/11/14/31/328111431.db2.gz PLJXEWMLINZDBA-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000571336842 328111432 /nfs/dbraw/zinc/11/14/32/328111432.db2.gz PLJXEWMLINZDBA-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP Cc1nc(N2CCN(C(=O)CNC(=O)C[NH3+])CC2)cc[nH+]1 ZINC000571558511 328133829 /nfs/dbraw/zinc/13/38/29/328133829.db2.gz YCNIDIWXKKFQHV-UHFFFAOYSA-N 2 2 292.343 -1.491 20 0 CAADLP C[NH+]1CCN(C(=O)CC[NH2+][C@]2(C(N)=O)CCOC2)CC1 ZINC000582793485 329210563 /nfs/dbraw/zinc/21/05/63/329210563.db2.gz BYMPKRRZIVPRRL-CYBMUJFWSA-N 2 2 284.360 -1.616 20 0 CAADLP [NH3+]CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)(F)F ZINC000583934083 326801132 /nfs/dbraw/zinc/80/11/32/326801132.db2.gz LGJUZLJWTRBGFJ-ZETCQYMHSA-N 2 2 282.266 -1.186 20 0 CAADLP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000557297287 327000571 /nfs/dbraw/zinc/00/05/71/327000571.db2.gz GXJPYNNPQHTZGI-NSHDSACASA-N 2 2 284.360 -2.011 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000584113339 327040516 /nfs/dbraw/zinc/04/05/16/327040516.db2.gz NGZSKGYWKSZROX-ZIAGYGMSSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000584113339 327040517 /nfs/dbraw/zinc/04/05/17/327040517.db2.gz NGZSKGYWKSZROX-ZIAGYGMSSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@H+](C[C@H](O)CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000584113339 327040519 /nfs/dbraw/zinc/04/05/19/327040519.db2.gz NGZSKGYWKSZROX-ZIAGYGMSSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@H](O)CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000584113339 327040520 /nfs/dbraw/zinc/04/05/20/327040520.db2.gz NGZSKGYWKSZROX-ZIAGYGMSSA-N 2 2 287.404 -1.276 20 0 CAADLP Cc1noc(COCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000577278563 327248768 /nfs/dbraw/zinc/24/87/68/327248768.db2.gz FJHYVWSFKOTIMF-JTQLQIEISA-N 2 2 283.332 -1.004 20 0 CAADLP Cc1noc(COCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000577278563 327248769 /nfs/dbraw/zinc/24/87/69/327248769.db2.gz FJHYVWSFKOTIMF-JTQLQIEISA-N 2 2 283.332 -1.004 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@H](O)CN[C@@H](CO)C[NH+](C)C)C[C@H](C)O1 ZINC000564975658 327302294 /nfs/dbraw/zinc/30/22/94/327302294.db2.gz LYEVPYIFTZYZAL-XJFOESAGSA-N 2 2 289.420 -1.031 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H](O)CN[C@@H](CO)C[NH+](C)C)C[C@H](C)O1 ZINC000564975658 327302295 /nfs/dbraw/zinc/30/22/95/327302295.db2.gz LYEVPYIFTZYZAL-XJFOESAGSA-N 2 2 289.420 -1.031 20 0 CAADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@H](CO)C[NH+](C)C)C[C@@H](C)O1 ZINC000564975659 327302300 /nfs/dbraw/zinc/30/23/00/327302300.db2.gz LYEVPYIFTZYZAL-YIYPIFLZSA-N 2 2 289.420 -1.031 20 0 CAADLP COCC[NH2+]C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000578333254 327317120 /nfs/dbraw/zinc/31/71/20/327317120.db2.gz AWEXGGHPVPPRCY-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 ZINC000565029168 327399623 /nfs/dbraw/zinc/39/96/23/327399623.db2.gz YWMIXNCMZMETAB-OUAUKWLOSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 ZINC000565029168 327399624 /nfs/dbraw/zinc/39/96/24/327399624.db2.gz YWMIXNCMZMETAB-OUAUKWLOSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 ZINC000565029165 327399626 /nfs/dbraw/zinc/39/96/26/327399626.db2.gz YWMIXNCMZMETAB-GARJFASQSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 ZINC000565029165 327399627 /nfs/dbraw/zinc/39/96/27/327399627.db2.gz YWMIXNCMZMETAB-GARJFASQSA-N 2 2 257.334 -1.454 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000563955615 328841532 /nfs/dbraw/zinc/84/15/32/328841532.db2.gz OLXVJTCTQVBCSQ-WDEREUQCSA-N 2 2 298.387 -1.229 20 0 CAADLP O[C@H](CNC[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000583694100 329004530 /nfs/dbraw/zinc/00/45/30/329004530.db2.gz WOIUQVUOBPMESD-KGLIPLIRSA-N 2 2 287.404 -1.274 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000582611259 329116403 /nfs/dbraw/zinc/11/64/03/329116403.db2.gz UTELWQAJHGAYPW-LLVKDONJSA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000582611259 329116405 /nfs/dbraw/zinc/11/64/05/329116405.db2.gz UTELWQAJHGAYPW-LLVKDONJSA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000582611260 329116469 /nfs/dbraw/zinc/11/64/69/329116469.db2.gz UTELWQAJHGAYPW-NSHDSACASA-N 2 2 279.406 -1.076 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000582611260 329116470 /nfs/dbraw/zinc/11/64/70/329116470.db2.gz UTELWQAJHGAYPW-NSHDSACASA-N 2 2 279.406 -1.076 20 0 CAADLP C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796286 329207914 /nfs/dbraw/zinc/20/79/14/329207914.db2.gz BCFDZIOXTRDSDN-AGIUHOORSA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1CN(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796286 329207916 /nfs/dbraw/zinc/20/79/16/329207916.db2.gz BCFDZIOXTRDSDN-AGIUHOORSA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1CN(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796290 329208246 /nfs/dbraw/zinc/20/82/46/329208246.db2.gz BCFDZIOXTRDSDN-UPJWGTAASA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@@H]1CN(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796290 329208247 /nfs/dbraw/zinc/20/82/47/329208247.db2.gz BCFDZIOXTRDSDN-UPJWGTAASA-N 2 2 282.388 -1.049 20 0 CAADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@]2(C(N)=O)CCOC2)CC1 ZINC000582793486 329210397 /nfs/dbraw/zinc/21/03/97/329210397.db2.gz BYMPKRRZIVPRRL-ZDUSSCGKSA-N 2 2 284.360 -1.616 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000583211929 329368097 /nfs/dbraw/zinc/36/80/97/329368097.db2.gz HODAKMPINNDAEW-AVGNSLFASA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000583211929 329368098 /nfs/dbraw/zinc/36/80/98/329368098.db2.gz HODAKMPINNDAEW-AVGNSLFASA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000583211929 329368100 /nfs/dbraw/zinc/36/81/00/329368100.db2.gz HODAKMPINNDAEW-AVGNSLFASA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000583211930 329368348 /nfs/dbraw/zinc/36/83/48/329368348.db2.gz HODAKMPINNDAEW-FRRDWIJNSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000583211930 329368349 /nfs/dbraw/zinc/36/83/49/329368349.db2.gz HODAKMPINNDAEW-FRRDWIJNSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000583211930 329368350 /nfs/dbraw/zinc/36/83/50/329368350.db2.gz HODAKMPINNDAEW-FRRDWIJNSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000583211931 329368382 /nfs/dbraw/zinc/36/83/82/329368382.db2.gz HODAKMPINNDAEW-RWMBFGLXSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000583211931 329368383 /nfs/dbraw/zinc/36/83/83/329368383.db2.gz HODAKMPINNDAEW-RWMBFGLXSA-N 2 2 276.377 -1.399 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000583211931 329368384 /nfs/dbraw/zinc/36/83/84/329368384.db2.gz HODAKMPINNDAEW-RWMBFGLXSA-N 2 2 276.377 -1.399 20 0 CAADLP O=C(CC[NH2+]C1CC1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000584539846 329518926 /nfs/dbraw/zinc/51/89/26/329518926.db2.gz GDGKWIXAVLDRGY-UHFFFAOYSA-N 2 2 298.387 -1.307 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[NH2+]CCCO1 ZINC000571880257 329927793 /nfs/dbraw/zinc/92/77/93/329927793.db2.gz BVIFBXUTQJMBMV-SNVBAGLBSA-N 2 2 270.333 -2.087 20 0 CAADLP [NH3+][C@H]1C[C@@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000572246132 329958014 /nfs/dbraw/zinc/95/80/14/329958014.db2.gz PARWGSAOGYGBQR-PHIMTYICSA-N 2 2 284.360 -1.712 20 0 CAADLP COC(=O)NCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162370761 330007613 /nfs/dbraw/zinc/00/76/13/330007613.db2.gz NSCMYIIDYSIPJS-VIFPVBQESA-N 2 2 258.322 -1.166 20 0 CAADLP COC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162370761 330007614 /nfs/dbraw/zinc/00/76/14/330007614.db2.gz NSCMYIIDYSIPJS-VIFPVBQESA-N 2 2 258.322 -1.166 20 0 CAADLP COC(=O)NCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162370618 330007707 /nfs/dbraw/zinc/00/77/07/330007707.db2.gz NSCMYIIDYSIPJS-SECBINFHSA-N 2 2 258.322 -1.166 20 0 CAADLP COC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162370618 330007709 /nfs/dbraw/zinc/00/77/09/330007709.db2.gz NSCMYIIDYSIPJS-SECBINFHSA-N 2 2 258.322 -1.166 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)CCN2C1=O ZINC000572424245 330067546 /nfs/dbraw/zinc/06/75/46/330067546.db2.gz AVOGWMPMOPFYPK-QJPTWQEYSA-N 2 2 296.371 -1.475 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)CCN2C1=O ZINC000572424245 330067549 /nfs/dbraw/zinc/06/75/49/330067549.db2.gz AVOGWMPMOPFYPK-QJPTWQEYSA-N 2 2 296.371 -1.475 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CSCC2=O)[C@H](C[NH3+])C1 ZINC000162655726 330101265 /nfs/dbraw/zinc/10/12/65/330101265.db2.gz ZAXTXJQRHHDTRQ-SECBINFHSA-N 2 2 272.374 -1.379 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CSCC2=O)[C@H](C[NH3+])C1 ZINC000162655726 330101267 /nfs/dbraw/zinc/10/12/67/330101267.db2.gz ZAXTXJQRHHDTRQ-SECBINFHSA-N 2 2 272.374 -1.379 20 0 CAADLP C[NH+](C)C[C@H](CO)NC[C@H](O)C[NH+]1CCOCC1 ZINC000580431383 330131318 /nfs/dbraw/zinc/13/13/18/330131318.db2.gz KMCKLFDYHNUSBH-NEPJUHHUSA-N 2 2 261.366 -1.808 20 0 CAADLP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000580431386 330131601 /nfs/dbraw/zinc/13/16/01/330131601.db2.gz KMCKLFDYHNUSBH-VXGBXAGGSA-N 2 2 261.366 -1.808 20 0 CAADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000580467155 330143784 /nfs/dbraw/zinc/14/37/84/330143784.db2.gz UJIKCMOQFBBYOC-UTUOFQBUSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000580467152 330143795 /nfs/dbraw/zinc/14/37/95/330143795.db2.gz UJIKCMOQFBBYOC-SRVKXCTJSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000516926708 333086567 /nfs/dbraw/zinc/08/65/67/333086567.db2.gz XUCVRSBYLNTMRN-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000516926710 333086693 /nfs/dbraw/zinc/08/66/93/333086693.db2.gz XUCVRSBYLNTMRN-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1[NH3+] ZINC000566201229 334635485 /nfs/dbraw/zinc/63/54/85/334635485.db2.gz CXDZUBNCJWVJPO-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000566204566 334635653 /nfs/dbraw/zinc/63/56/53/334635653.db2.gz PBXXPMPWHSYBQU-UWVGGRQHSA-N 2 2 254.334 -1.468 20 0 CAADLP C[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000567474800 334723439 /nfs/dbraw/zinc/72/34/39/334723439.db2.gz RYXJZNUCHFDLQB-AWEZNQCLSA-N 2 2 298.387 -1.307 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567817094 334764045 /nfs/dbraw/zinc/76/40/45/334764045.db2.gz KJURVEDZIHPCJG-WDEREUQCSA-N 2 2 266.345 -1.514 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000567912773 334775192 /nfs/dbraw/zinc/77/51/92/334775192.db2.gz UNLYTPZHTUDNLS-WDEREUQCSA-N 2 2 282.344 -1.993 20 0 CAADLP C[NH+](C)CCOCCNC(=O)CN1CC[NH2+]CC1=O ZINC000573118227 334909959 /nfs/dbraw/zinc/90/99/59/334909959.db2.gz ONUUVMGOQGVKIJ-UHFFFAOYSA-N 2 2 272.349 -1.887 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C[NH3+])C1 ZINC000576346813 335192479 /nfs/dbraw/zinc/19/24/79/335192479.db2.gz ZTVGDZROSCFREO-SECBINFHSA-N 2 2 297.359 -1.582 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C[NH3+])C1 ZINC000576346813 335192480 /nfs/dbraw/zinc/19/24/80/335192480.db2.gz ZTVGDZROSCFREO-SECBINFHSA-N 2 2 297.359 -1.582 20 0 CAADLP C[C@H]1C[N@H+](CCOCC[NH3+])CCN1S(C)(=O)=O ZINC000576346657 335192490 /nfs/dbraw/zinc/19/24/90/335192490.db2.gz UFQAMDWUXOELJS-JTQLQIEISA-N 2 2 265.379 -1.073 20 0 CAADLP C[C@H]1C[N@@H+](CCOCC[NH3+])CCN1S(C)(=O)=O ZINC000576346657 335192491 /nfs/dbraw/zinc/19/24/91/335192491.db2.gz UFQAMDWUXOELJS-JTQLQIEISA-N 2 2 265.379 -1.073 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580560641 335281244 /nfs/dbraw/zinc/28/12/44/335281244.db2.gz QKRUPTZOALZITP-GHMZBOCLSA-N 2 2 266.345 -1.371 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580563190 335286710 /nfs/dbraw/zinc/28/67/10/335286710.db2.gz GKGOTRYALVCOAC-LLVKDONJSA-N 2 2 286.376 -1.453 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580563190 335286711 /nfs/dbraw/zinc/28/67/11/335286711.db2.gz GKGOTRYALVCOAC-LLVKDONJSA-N 2 2 286.376 -1.453 20 0 CAADLP [NH3+]CCCOC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000577104160 335300725 /nfs/dbraw/zinc/30/07/25/335300725.db2.gz NPVCFCDUVPGUOA-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP CC(C)(CNC(=O)C[NH2+]C(CO)CO)[NH+]1CCOCC1 ZINC000577743722 335395782 /nfs/dbraw/zinc/39/57/82/335395782.db2.gz XVZLFWXVQFXZSK-UHFFFAOYSA-N 2 2 289.376 -1.844 20 0 CAADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000578530112 335646094 /nfs/dbraw/zinc/64/60/94/335646094.db2.gz QUHBFCDXHSODTK-RYUDHWBXSA-N 2 2 298.387 -1.451 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000579221261 335722727 /nfs/dbraw/zinc/72/27/27/335722727.db2.gz UHMWTSKPDNYUKS-TXEJJXNPSA-N 2 2 280.372 -1.172 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000581377550 336064451 /nfs/dbraw/zinc/06/44/51/336064451.db2.gz HTSJVOCDHURBHL-SNVBAGLBSA-N 2 2 294.359 -1.016 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000581550617 336101040 /nfs/dbraw/zinc/10/10/40/336101040.db2.gz HRHZCRPTRONFHP-ZDUSSCGKSA-N 3 2 283.420 -1.275 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000581550617 336101041 /nfs/dbraw/zinc/10/10/41/336101041.db2.gz HRHZCRPTRONFHP-ZDUSSCGKSA-N 3 2 283.420 -1.275 20 0 CAADLP CN(CC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000581610259 336111972 /nfs/dbraw/zinc/11/19/72/336111972.db2.gz GNRFEJRIZZUSIP-GFCCVEGCSA-N 2 2 298.387 -1.416 20 0 CAADLP Cn1nnnc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581726952 336138444 /nfs/dbraw/zinc/13/84/44/336138444.db2.gz URWDIWTUZHUENP-NSHDSACASA-N 2 2 293.375 -1.146 20 0 CAADLP Cn1nnnc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581726952 336138446 /nfs/dbraw/zinc/13/84/46/336138446.db2.gz URWDIWTUZHUENP-NSHDSACASA-N 2 2 293.375 -1.146 20 0 CAADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC(=O)N1 ZINC000386929888 336182544 /nfs/dbraw/zinc/18/25/44/336182544.db2.gz RDJOOTWZLAOQFE-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC(=O)N1 ZINC000386929888 336182545 /nfs/dbraw/zinc/18/25/45/336182545.db2.gz RDJOOTWZLAOQFE-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217642 782110125 /nfs/dbraw/zinc/11/01/25/782110125.db2.gz RHRIHJUZSZUVGO-LLVKDONJSA-N 2 2 295.343 -1.425 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217643 782110151 /nfs/dbraw/zinc/11/01/51/782110151.db2.gz RHRIHJUZSZUVGO-NSHDSACASA-N 2 2 295.343 -1.425 20 0 CAADLP COCCCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487969 782116941 /nfs/dbraw/zinc/11/69/41/782116941.db2.gz XAALSQDBJQMAEW-UHFFFAOYSA-N 2 2 297.359 -1.258 20 0 CAADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H](O)CO)C2 ZINC001274565468 782151955 /nfs/dbraw/zinc/15/19/55/782151955.db2.gz QLTXKINNPCNJFO-NSHDSACASA-N 2 2 287.360 -2.186 20 0 CAADLP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000423240555 533799027 /nfs/dbraw/zinc/79/90/27/533799027.db2.gz KQWJXZQUTCNBPQ-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C[NH2+]1 ZINC000237595702 533834779 /nfs/dbraw/zinc/83/47/79/533834779.db2.gz MGUBAWXAKXFRER-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000431029941 533837085 /nfs/dbraw/zinc/83/70/85/533837085.db2.gz IEGGOLACJFEKME-LBPRGKRZSA-N 2 2 297.403 -1.830 20 0 CAADLP COC(=O)N1CC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000497266012 533909165 /nfs/dbraw/zinc/90/91/65/533909165.db2.gz QFHNCMIEGZPZPG-JTQLQIEISA-N 2 2 285.348 -1.279 20 0 CAADLP COC(=O)N1CC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000497266012 533909171 /nfs/dbraw/zinc/90/91/71/533909171.db2.gz QFHNCMIEGZPZPG-JTQLQIEISA-N 2 2 285.348 -1.279 20 0 CAADLP COC[C@H](C(N)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000339354955 522541184 /nfs/dbraw/zinc/54/11/84/522541184.db2.gz CKUUFTIYXMBKPE-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP COC[C@H](C(N)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000339354955 522541194 /nfs/dbraw/zinc/54/11/94/522541194.db2.gz CKUUFTIYXMBKPE-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001274815787 782159558 /nfs/dbraw/zinc/15/95/58/782159558.db2.gz MRKRZERUNYQKKG-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000419724943 534005426 /nfs/dbraw/zinc/00/54/26/534005426.db2.gz QUKFXXMCDQMAEV-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000432540717 534026996 /nfs/dbraw/zinc/02/69/96/534026996.db2.gz JQEQOPIEXQJXON-GARJFASQSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000479278617 534027749 /nfs/dbraw/zinc/02/77/49/534027749.db2.gz JQEQOPIEXQJXON-HBNTYKKESA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H](C[NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000262316417 534033232 /nfs/dbraw/zinc/03/32/32/534033232.db2.gz DLIMLMOWYFDMOZ-SNVBAGLBSA-N 2 2 272.349 -1.854 20 0 CAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000430729320 534079290 /nfs/dbraw/zinc/07/92/90/534079290.db2.gz OGIPWJDZUYJYGN-NEPJUHHUSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000430729320 534079293 /nfs/dbraw/zinc/07/92/93/534079293.db2.gz OGIPWJDZUYJYGN-NEPJUHHUSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000427603531 534091877 /nfs/dbraw/zinc/09/18/77/534091877.db2.gz VHMOORIEGWXNCJ-NXEZZACHSA-N 2 2 254.334 -1.468 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423677214 534286784 /nfs/dbraw/zinc/28/67/84/534286784.db2.gz JOYBYCVZWURJGX-SNVBAGLBSA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000419722681 534292082 /nfs/dbraw/zinc/29/20/82/534292082.db2.gz MUPZEJMWUSCICI-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC000187282520 534378152 /nfs/dbraw/zinc/37/81/52/534378152.db2.gz KLVAJERBVNVDGL-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC000187282520 534378161 /nfs/dbraw/zinc/37/81/61/534378161.db2.gz KLVAJERBVNVDGL-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC000187282520 534378171 /nfs/dbraw/zinc/37/81/71/534378171.db2.gz KLVAJERBVNVDGL-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC000187282520 534378179 /nfs/dbraw/zinc/37/81/79/534378179.db2.gz KLVAJERBVNVDGL-NEPJUHHUSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000479258671 534388656 /nfs/dbraw/zinc/38/86/56/534388656.db2.gz JWEQMGPSEHGTCE-LPWJVIDDSA-N 2 2 283.372 -1.112 20 0 CAADLP CC(C)(CNC(=O)CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000040805276 519241411 /nfs/dbraw/zinc/24/14/11/519241411.db2.gz VRHILMBMSHAUNO-UHFFFAOYSA-N 2 2 272.349 -1.712 20 0 CAADLP CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040805210 519255765 /nfs/dbraw/zinc/25/57/65/519255765.db2.gz AQDDWTNOCUEFLA-QWRGUYRKSA-N 2 2 271.361 -1.064 20 0 CAADLP CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040805214 519256585 /nfs/dbraw/zinc/25/65/85/519256585.db2.gz AQDDWTNOCUEFLA-MNOVXSKESA-N 2 2 271.361 -1.064 20 0 CAADLP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000488382170 534435624 /nfs/dbraw/zinc/43/56/24/534435624.db2.gz DIJBGYRLTSHNBN-QMMMGPOBSA-N 2 2 265.321 -1.490 20 0 CAADLP NC(=O)[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1C(N)=O ZINC000178638494 534453885 /nfs/dbraw/zinc/45/38/85/534453885.db2.gz HRPBSPIULOZDLT-TXEJJXNPSA-N 2 2 298.387 -1.098 20 0 CAADLP NC(=O)[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1C(N)=O ZINC000178638494 534453899 /nfs/dbraw/zinc/45/38/99/534453899.db2.gz HRPBSPIULOZDLT-TXEJJXNPSA-N 2 2 298.387 -1.098 20 0 CAADLP NC(=O)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000178638494 534453904 /nfs/dbraw/zinc/45/39/04/534453904.db2.gz HRPBSPIULOZDLT-TXEJJXNPSA-N 2 2 298.387 -1.098 20 0 CAADLP NC(=O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(N)=O ZINC000178638494 534453915 /nfs/dbraw/zinc/45/39/15/534453915.db2.gz HRPBSPIULOZDLT-TXEJJXNPSA-N 2 2 298.387 -1.098 20 0 CAADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](CCO)CC1 ZINC000262361215 534593472 /nfs/dbraw/zinc/59/34/72/534593472.db2.gz KLJWAHPMUZIXQN-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000151297748 522009744 /nfs/dbraw/zinc/00/97/44/522009744.db2.gz FZPUJVHXEIKKPL-GFCCVEGCSA-N 2 2 298.387 -1.497 20 0 CAADLP COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000339354960 522164059 /nfs/dbraw/zinc/16/40/59/522164059.db2.gz CKUUFTIYXMBKPE-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000339354960 522164069 /nfs/dbraw/zinc/16/40/69/522164069.db2.gz CKUUFTIYXMBKPE-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP Cc1[nH+]c[nH]c1CNC(=O)CN1CC[NH2+]CC1=O ZINC000431013586 534721544 /nfs/dbraw/zinc/72/15/44/534721544.db2.gz JHKMZBYKGNNFAD-UHFFFAOYSA-N 2 2 251.290 -1.234 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188047273 523849544 /nfs/dbraw/zinc/84/95/44/523849544.db2.gz YUWOFKJRCQNZKS-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000245462720 523949950 /nfs/dbraw/zinc/94/99/50/523949950.db2.gz NZDUFALUKRFQDJ-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000245462720 523949954 /nfs/dbraw/zinc/94/99/54/523949954.db2.gz NZDUFALUKRFQDJ-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245462720 523949956 /nfs/dbraw/zinc/94/99/56/523949956.db2.gz NZDUFALUKRFQDJ-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245462720 523949965 /nfs/dbraw/zinc/94/99/65/523949965.db2.gz NZDUFALUKRFQDJ-GHMZBOCLSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000338392876 524044120 /nfs/dbraw/zinc/04/41/20/524044120.db2.gz LPCXRQCEWGOQIU-UHFFFAOYSA-N 2 2 296.371 -1.159 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043710873 524355450 /nfs/dbraw/zinc/35/54/50/524355450.db2.gz KQLCVQSCUFSVBP-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000048996814 534810575 /nfs/dbraw/zinc/81/05/75/534810575.db2.gz NPPCCGVCYDLPSF-UHFFFAOYSA-N 2 2 266.345 -1.275 20 0 CAADLP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107576167 526610195 /nfs/dbraw/zinc/61/01/95/526610195.db2.gz VADBVVPQGXLHKM-BETUJISGSA-N 2 2 280.372 -1.172 20 0 CAADLP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107576167 526610201 /nfs/dbraw/zinc/61/02/01/526610201.db2.gz VADBVVPQGXLHKM-BETUJISGSA-N 2 2 280.372 -1.172 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000165009390 526625825 /nfs/dbraw/zinc/62/58/25/526625825.db2.gz BFGIRPNNVZHGJD-NSHDSACASA-N 2 2 286.401 -1.071 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424141885 526626102 /nfs/dbraw/zinc/62/61/02/526626102.db2.gz XUUPTGHWSINNAX-MNOVXSKESA-N 2 2 254.334 -1.386 20 0 CAADLP CC(C)(CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCOCC1 ZINC000163547139 527107633 /nfs/dbraw/zinc/10/76/33/527107633.db2.gz ACNRMHDQUWBMHE-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261608509 527542822 /nfs/dbraw/zinc/54/28/22/527542822.db2.gz AYIMGCMSVSHQTG-MNOVXSKESA-N 2 2 298.387 -1.099 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353174184 527543605 /nfs/dbraw/zinc/54/36/05/527543605.db2.gz PCVQMXPDUGELGI-UHFFFAOYSA-N 2 2 254.334 -1.114 20 0 CAADLP CC1(C)[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000449751369 527794278 /nfs/dbraw/zinc/79/42/78/527794278.db2.gz XYYKUYLDMOHUEV-SECBINFHSA-N 2 2 254.334 -1.325 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419821374 527958636 /nfs/dbraw/zinc/95/86/36/527958636.db2.gz UIFRKLXNMTZRQU-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000262263480 528086234 /nfs/dbraw/zinc/08/62/34/528086234.db2.gz JQDKJHKCEDQXJA-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000262263480 528086239 /nfs/dbraw/zinc/08/62/39/528086239.db2.gz JQDKJHKCEDQXJA-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000419879091 528733497 /nfs/dbraw/zinc/73/34/97/528733497.db2.gz SLBWPCHHMMUZBV-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000164475723 528735936 /nfs/dbraw/zinc/73/59/36/528735936.db2.gz WNFUFOWDDKCDJM-UHFFFAOYSA-N 2 2 298.387 -1.401 20 0 CAADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000430552021 528860480 /nfs/dbraw/zinc/86/04/80/528860480.db2.gz AOUBLFUXALSJJI-GFCCVEGCSA-N 2 2 256.350 -1.092 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CCO)CC1 ZINC000126108315 529037015 /nfs/dbraw/zinc/03/70/15/529037015.db2.gz SCASSPKVGRIBDU-LBPRGKRZSA-N 2 2 286.376 -1.778 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423729968 529113217 /nfs/dbraw/zinc/11/32/17/529113217.db2.gz XRXVICRUVODGQW-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP CC(C)Nc1nc(N2CC[NH+](C)CC2)nc(NCCO)[nH+]1 ZINC000339975895 529113835 /nfs/dbraw/zinc/11/38/35/529113835.db2.gz OGLZMJOFBSJWRI-UHFFFAOYSA-N 2 2 295.391 -1.308 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000422973605 529115954 /nfs/dbraw/zinc/11/59/54/529115954.db2.gz CGGDGPGOAGAOCU-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000170366770 529116043 /nfs/dbraw/zinc/11/60/43/529116043.db2.gz BQAGNXWXKPTNHS-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP CC1(C)C[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000431068143 529117485 /nfs/dbraw/zinc/11/74/85/529117485.db2.gz XUTMOHBBOVFGHS-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC1(C)C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000431068143 529117488 /nfs/dbraw/zinc/11/74/88/529117488.db2.gz XUTMOHBBOVFGHS-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 ZINC000262498153 529117926 /nfs/dbraw/zinc/11/79/26/529117926.db2.gz KHMCYGYPEPPELL-WDEREUQCSA-N 2 2 271.361 -1.064 20 0 CAADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1 ZINC000262498153 529117928 /nfs/dbraw/zinc/11/79/28/529117928.db2.gz KHMCYGYPEPPELL-WDEREUQCSA-N 2 2 271.361 -1.064 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419844140 529119503 /nfs/dbraw/zinc/11/95/03/529119503.db2.gz KWFQYKBKSACBCW-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420157029 529119713 /nfs/dbraw/zinc/11/97/13/529119713.db2.gz WLPKLXXHSVIXGQ-UHFFFAOYSA-N 2 2 278.303 -1.139 20 0 CAADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1CCOC ZINC000353702960 529279179 /nfs/dbraw/zinc/27/91/79/529279179.db2.gz KPXISBKFSZVIEE-WDEREUQCSA-N 2 2 286.376 -1.242 20 0 CAADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1CCOC ZINC000353702960 529279181 /nfs/dbraw/zinc/27/91/81/529279181.db2.gz KPXISBKFSZVIEE-WDEREUQCSA-N 2 2 286.376 -1.242 20 0 CAADLP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394371995 545497857 /nfs/dbraw/zinc/49/78/57/545497857.db2.gz GPZSQDJORNWALF-NWDGAFQWSA-N 2 2 270.377 -1.144 20 0 CAADLP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394371995 545497860 /nfs/dbraw/zinc/49/78/60/545497860.db2.gz GPZSQDJORNWALF-NWDGAFQWSA-N 2 2 270.377 -1.144 20 0 CAADLP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394371996 545497869 /nfs/dbraw/zinc/49/78/69/545497869.db2.gz GPZSQDJORNWALF-RYUDHWBXSA-N 2 2 270.377 -1.144 20 0 CAADLP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394371996 545497872 /nfs/dbraw/zinc/49/78/72/545497872.db2.gz GPZSQDJORNWALF-RYUDHWBXSA-N 2 2 270.377 -1.144 20 0 CAADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394391814 545498817 /nfs/dbraw/zinc/49/88/17/545498817.db2.gz MBUNFQDMCVQUFD-STQMWFEESA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394391814 545498820 /nfs/dbraw/zinc/49/88/20/545498820.db2.gz MBUNFQDMCVQUFD-STQMWFEESA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000648162403 545501504 /nfs/dbraw/zinc/50/15/04/545501504.db2.gz CRPOWBTWPCVXGU-NSHDSACASA-N 2 2 266.345 -1.229 20 0 CAADLP C[NH+](C)C1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000668587319 545502085 /nfs/dbraw/zinc/50/20/85/545502085.db2.gz RWLYDOGFIAKRKN-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH+](C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000128778753 545511360 /nfs/dbraw/zinc/51/13/60/545511360.db2.gz ASBIFPXFSQSDRM-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cn2)CC1 ZINC000678269808 545518442 /nfs/dbraw/zinc/51/84/42/545518442.db2.gz HNCUCYGCOAWDDI-BETUJISGSA-N 2 2 293.371 -1.234 20 0 CAADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cn2)CC1 ZINC000678269808 545518447 /nfs/dbraw/zinc/51/84/47/545518447.db2.gz HNCUCYGCOAWDDI-BETUJISGSA-N 2 2 293.371 -1.234 20 0 CAADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431068517 545529014 /nfs/dbraw/zinc/52/90/14/545529014.db2.gz YLUKMVJOKLOAAY-NWDGAFQWSA-N 2 2 298.387 -1.322 20 0 CAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000645211309 545525984 /nfs/dbraw/zinc/52/59/84/545525984.db2.gz HCKXSLXQLXBFDP-UHFFFAOYSA-N 2 2 298.387 -1.403 20 0 CAADLP CC1([NH3+])CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000647926378 545527986 /nfs/dbraw/zinc/52/79/86/545527986.db2.gz BOGWXJBSVGAKLI-UHFFFAOYSA-N 2 2 254.334 -1.242 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990845 545533299 /nfs/dbraw/zinc/53/32/99/545533299.db2.gz MRRBXPGYFDEZPN-NXEZZACHSA-N 2 2 252.318 -1.762 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990845 545533302 /nfs/dbraw/zinc/53/33/02/545533302.db2.gz MRRBXPGYFDEZPN-NXEZZACHSA-N 2 2 252.318 -1.762 20 0 CAADLP CC(C)(C)[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000669521131 545535421 /nfs/dbraw/zinc/53/54/21/545535421.db2.gz CSKFYKCRRPZYDW-SECBINFHSA-N 2 2 256.350 -1.092 20 0 CAADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000232115490 545535938 /nfs/dbraw/zinc/53/59/38/545535938.db2.gz CWHFTXLNDVSKBT-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889782 545539268 /nfs/dbraw/zinc/53/92/68/545539268.db2.gz DERXJWSIXUPYRI-VXGBXAGGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000652889782 545539271 /nfs/dbraw/zinc/53/92/71/545539271.db2.gz DERXJWSIXUPYRI-VXGBXAGGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889782 545539273 /nfs/dbraw/zinc/53/92/73/545539273.db2.gz DERXJWSIXUPYRI-VXGBXAGGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000652889782 545539277 /nfs/dbraw/zinc/53/92/77/545539277.db2.gz DERXJWSIXUPYRI-VXGBXAGGSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH2+]Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000090295500 545544062 /nfs/dbraw/zinc/54/40/62/545544062.db2.gz XZNNQBUMNMCXJM-UHFFFAOYSA-N 2 2 252.322 -1.229 20 0 CAADLP C[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000194889019 545544553 /nfs/dbraw/zinc/54/45/53/545544553.db2.gz MXUSZFZKTQUBKI-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+](C)C(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237078654 545548090 /nfs/dbraw/zinc/54/80/90/545548090.db2.gz VTPPHSNFQYOZBU-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000091669445 545548714 /nfs/dbraw/zinc/54/87/14/545548714.db2.gz QNFMGPOJZUONDI-LLVKDONJSA-N 2 2 256.350 -1.662 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]CC2)C1 ZINC000091669445 545548718 /nfs/dbraw/zinc/54/87/18/545548718.db2.gz QNFMGPOJZUONDI-LLVKDONJSA-N 2 2 256.350 -1.662 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCCC[NH2+]1 ZINC000238108526 545549098 /nfs/dbraw/zinc/54/90/98/545549098.db2.gz GQXNLMCVBWSADX-SNVBAGLBSA-N 2 2 254.334 -1.324 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCCC[NH2+]1 ZINC000238107895 545549383 /nfs/dbraw/zinc/54/93/83/545549383.db2.gz GQXNLMCVBWSADX-JTQLQIEISA-N 2 2 254.334 -1.324 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000645887107 545551675 /nfs/dbraw/zinc/55/16/75/545551675.db2.gz TUCSHRKAORVGME-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000252552616 545552778 /nfs/dbraw/zinc/55/27/78/545552778.db2.gz QJKZVWWHBUQVJY-GARJFASQSA-N 2 2 257.334 -1.190 20 0 CAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000252552616 545552783 /nfs/dbraw/zinc/55/27/83/545552783.db2.gz QJKZVWWHBUQVJY-GARJFASQSA-N 2 2 257.334 -1.190 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649685253 545564552 /nfs/dbraw/zinc/56/45/52/545564552.db2.gz ULXNODCMQMQKPY-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC(=O)N2)CC1=O ZINC000649685253 545564556 /nfs/dbraw/zinc/56/45/56/545564556.db2.gz ULXNODCMQMQKPY-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP COC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684805 545564638 /nfs/dbraw/zinc/56/46/38/545564638.db2.gz CNRBUQZPABTWSL-NSHDSACASA-N 2 2 259.350 -1.301 20 0 CAADLP COC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684805 545564640 /nfs/dbraw/zinc/56/46/40/545564640.db2.gz CNRBUQZPABTWSL-NSHDSACASA-N 2 2 259.350 -1.301 20 0 CAADLP CN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000564739957 545565538 /nfs/dbraw/zinc/56/55/38/545565538.db2.gz MNJRFZXZVJTXJV-GUBZILKMSA-N 2 2 252.318 -1.539 20 0 CAADLP CN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000564739957 545565542 /nfs/dbraw/zinc/56/55/42/545565542.db2.gz MNJRFZXZVJTXJV-GUBZILKMSA-N 2 2 252.318 -1.539 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674464729 545572301 /nfs/dbraw/zinc/57/23/01/545572301.db2.gz DONCXEXLYLEVOE-UPJWGTAASA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674464729 545572303 /nfs/dbraw/zinc/57/23/03/545572303.db2.gz DONCXEXLYLEVOE-UPJWGTAASA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000681762947 545575372 /nfs/dbraw/zinc/57/53/72/545575372.db2.gz UOUYWNAYXCCDIG-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000681762947 545575377 /nfs/dbraw/zinc/57/53/77/545575377.db2.gz UOUYWNAYXCCDIG-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP O=C(CNC(=O)C1(O)C[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000662695639 545578650 /nfs/dbraw/zinc/57/86/50/545578650.db2.gz AWPNLDMRMFSKOI-UHFFFAOYSA-N 2 2 286.332 -3.115 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC12CC(C1)C[NH2+]2 ZINC000662719053 545578740 /nfs/dbraw/zinc/57/87/40/545578740.db2.gz WCCLXMIPWLYDBW-UHFFFAOYSA-N 2 2 252.318 -1.714 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)CCO1 ZINC000662702288 545578754 /nfs/dbraw/zinc/57/87/54/545578754.db2.gz XUHCZINJDOUXMV-SNVBAGLBSA-N 2 2 282.348 -1.313 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)CCO1 ZINC000662702288 545578757 /nfs/dbraw/zinc/57/87/57/545578757.db2.gz XUHCZINJDOUXMV-SNVBAGLBSA-N 2 2 282.348 -1.313 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662745955 545580366 /nfs/dbraw/zinc/58/03/66/545580366.db2.gz XWJYOCAQALNEBR-UHFFFAOYSA-N 2 2 271.361 -1.110 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906191 545580779 /nfs/dbraw/zinc/58/07/79/545580779.db2.gz JAJJWCDTSWTTFO-GFCCVEGCSA-N 2 2 295.387 -2.076 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906191 545580785 /nfs/dbraw/zinc/58/07/85/545580785.db2.gz JAJJWCDTSWTTFO-GFCCVEGCSA-N 2 2 295.387 -2.076 20 0 CAADLP O=C(N(CC[NH+]1CCOCC1)CC1CC1)C1(O)C[NH2+]C1 ZINC000662911881 545581314 /nfs/dbraw/zinc/58/13/14/545581314.db2.gz WXXRJGKSCIVPBB-UHFFFAOYSA-N 2 2 283.372 -1.109 20 0 CAADLP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000662907874 545581647 /nfs/dbraw/zinc/58/16/47/545581647.db2.gz YDGRKFGINFMROW-GFCCVEGCSA-N 2 2 282.388 -1.129 20 0 CAADLP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000662907874 545581653 /nfs/dbraw/zinc/58/16/53/545581653.db2.gz YDGRKFGINFMROW-GFCCVEGCSA-N 2 2 282.388 -1.129 20 0 CAADLP C[C@H]1[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000719445220 782180661 /nfs/dbraw/zinc/18/06/61/782180661.db2.gz VVBBXNAUMWYDBU-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H]1[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000719445220 782180664 /nfs/dbraw/zinc/18/06/64/782180664.db2.gz VVBBXNAUMWYDBU-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H]1[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000719445211 782180696 /nfs/dbraw/zinc/18/06/96/782180696.db2.gz VVBBXNAUMWYDBU-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H]1[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000719445211 782180699 /nfs/dbraw/zinc/18/06/99/782180699.db2.gz VVBBXNAUMWYDBU-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000877959253 582113447 /nfs/dbraw/zinc/11/34/47/582113447.db2.gz SXFCPTLXBRMEMX-UHFFFAOYSA-N 2 2 267.337 -1.621 20 0 CAADLP C[NH+](C)CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000519541419 582114030 /nfs/dbraw/zinc/11/40/30/582114030.db2.gz VMVKELMSOXILNS-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000866764083 582119573 /nfs/dbraw/zinc/11/95/73/582119573.db2.gz KVHXKTPWTNTQNI-RKDXNWHRSA-N 2 2 299.343 -1.157 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058564 582120408 /nfs/dbraw/zinc/12/04/08/582120408.db2.gz RZOZJFRTRYHKBY-GFCCVEGCSA-N 2 2 299.371 -1.118 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058564 582120409 /nfs/dbraw/zinc/12/04/09/582120409.db2.gz RZOZJFRTRYHKBY-GFCCVEGCSA-N 2 2 299.371 -1.118 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899058564 582120411 /nfs/dbraw/zinc/12/04/11/582120411.db2.gz RZOZJFRTRYHKBY-GFCCVEGCSA-N 2 2 299.371 -1.118 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899058564 582120412 /nfs/dbraw/zinc/12/04/12/582120412.db2.gz RZOZJFRTRYHKBY-GFCCVEGCSA-N 2 2 299.371 -1.118 20 0 CAADLP CCOC(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000496231799 582123637 /nfs/dbraw/zinc/12/36/37/582123637.db2.gz ZPXOSPBBQOLPLV-SECBINFHSA-N 2 2 258.322 -1.166 20 0 CAADLP CCOC(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000496231799 582123638 /nfs/dbraw/zinc/12/36/38/582123638.db2.gz ZPXOSPBBQOLPLV-SECBINFHSA-N 2 2 258.322 -1.166 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649342966 582126241 /nfs/dbraw/zinc/12/62/41/582126241.db2.gz ZNYNIQGTZSBJJC-URLYPYJESA-N 2 2 280.372 -1.140 20 0 CAADLP CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000884348417 582126611 /nfs/dbraw/zinc/12/66/11/582126611.db2.gz YPZJXCGPCIHDJZ-IUCAKERBSA-N 2 2 254.334 -1.340 20 0 CAADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000884348418 582126624 /nfs/dbraw/zinc/12/66/24/582126624.db2.gz YPZJXCGPCIHDJZ-RKDXNWHRSA-N 2 2 254.334 -1.340 20 0 CAADLP C[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+](C)C ZINC000778939755 582156955 /nfs/dbraw/zinc/15/69/55/582156955.db2.gz PFVKJJBIPGWFLE-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP C[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+](C)C ZINC000778939755 582156957 /nfs/dbraw/zinc/15/69/57/582156957.db2.gz PFVKJJBIPGWFLE-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000779567077 582157492 /nfs/dbraw/zinc/15/74/92/582157492.db2.gz UJNQSOBFYRPHAK-WDEREUQCSA-N 2 2 296.327 -1.129 20 0 CAADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000779567077 582157493 /nfs/dbraw/zinc/15/74/93/582157493.db2.gz UJNQSOBFYRPHAK-WDEREUQCSA-N 2 2 296.327 -1.129 20 0 CAADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000779567076 582157525 /nfs/dbraw/zinc/15/75/25/582157525.db2.gz UJNQSOBFYRPHAK-QWRGUYRKSA-N 2 2 296.327 -1.129 20 0 CAADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000779567076 582157526 /nfs/dbraw/zinc/15/75/26/582157526.db2.gz UJNQSOBFYRPHAK-QWRGUYRKSA-N 2 2 296.327 -1.129 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799111309 582167111 /nfs/dbraw/zinc/16/71/11/582167111.db2.gz GPPAXGHTMQBCTL-SNVBAGLBSA-N 2 2 282.344 -1.503 20 0 CAADLP CC[NH2+]CC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000818608621 582176406 /nfs/dbraw/zinc/17/64/06/582176406.db2.gz JJONYGQQXMQXQN-UHFFFAOYSA-N 2 2 287.360 -1.070 20 0 CAADLP CCNS(=O)(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819044119 582177129 /nfs/dbraw/zinc/17/71/29/582177129.db2.gz ZWDMBAIWFZOEMW-NSHDSACASA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819044119 582177131 /nfs/dbraw/zinc/17/71/31/582177131.db2.gz ZWDMBAIWFZOEMW-NSHDSACASA-N 2 2 279.406 -1.030 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010177 582178694 /nfs/dbraw/zinc/17/86/94/582178694.db2.gz DXRDTXMAARGBCH-RYUDHWBXSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010177 582178695 /nfs/dbraw/zinc/17/86/95/582178695.db2.gz DXRDTXMAARGBCH-RYUDHWBXSA-N 2 2 271.361 -1.253 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827935838 582193599 /nfs/dbraw/zinc/19/35/99/582193599.db2.gz BHGDHCKHTYBBQH-RYUDHWBXSA-N 2 2 296.371 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827935838 582193600 /nfs/dbraw/zinc/19/36/00/582193600.db2.gz BHGDHCKHTYBBQH-RYUDHWBXSA-N 2 2 296.371 -1.602 20 0 CAADLP C[N@@H+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000843356716 582213897 /nfs/dbraw/zinc/21/38/97/582213897.db2.gz WTPAAPKKYIFGOT-NWDGAFQWSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000843356716 582213898 /nfs/dbraw/zinc/21/38/98/582213898.db2.gz WTPAAPKKYIFGOT-NWDGAFQWSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000843356715 582213922 /nfs/dbraw/zinc/21/39/22/582213922.db2.gz WTPAAPKKYIFGOT-NEPJUHHUSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000843356715 582213923 /nfs/dbraw/zinc/21/39/23/582213923.db2.gz WTPAAPKKYIFGOT-NEPJUHHUSA-N 3 2 270.377 -1.144 20 0 CAADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000843476559 582214807 /nfs/dbraw/zinc/21/48/07/582214807.db2.gz LBKVWWAJSPBGOB-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000843476546 582214817 /nfs/dbraw/zinc/21/48/17/582214817.db2.gz LBKVWWAJSPBGOB-GFCCVEGCSA-N 2 2 271.361 -1.109 20 0 CAADLP COC(=O)[C@@H]1COCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846678360 582223017 /nfs/dbraw/zinc/22/30/17/582223017.db2.gz ZWKCALBLOAWMNX-ZJUUUORDSA-N 2 2 273.333 -1.334 20 0 CAADLP COC(=O)N(C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000851676296 582228985 /nfs/dbraw/zinc/22/89/85/582228985.db2.gz YLBRXBLSJRSRHA-JTQLQIEISA-N 2 2 287.364 -1.031 20 0 CAADLP COC(=O)N(C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000851676296 582228986 /nfs/dbraw/zinc/22/89/86/582228986.db2.gz YLBRXBLSJRSRHA-JTQLQIEISA-N 2 2 287.364 -1.031 20 0 CAADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851689952 582229454 /nfs/dbraw/zinc/22/94/54/582229454.db2.gz XBTLQLZHUATISA-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000110658107 582230374 /nfs/dbraw/zinc/23/03/74/582230374.db2.gz GGQRNUYBOUYKHO-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000110658107 582230376 /nfs/dbraw/zinc/23/03/76/582230376.db2.gz GGQRNUYBOUYKHO-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865807 582231406 /nfs/dbraw/zinc/23/14/06/582231406.db2.gz POFBKYZYLAMREX-VHSXEESVSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865807 582231408 /nfs/dbraw/zinc/23/14/08/582231408.db2.gz POFBKYZYLAMREX-VHSXEESVSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852863729 582231422 /nfs/dbraw/zinc/23/14/22/582231422.db2.gz RLBZNEQHJFPSSL-ZJUUUORDSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852863729 582231424 /nfs/dbraw/zinc/23/14/24/582231424.db2.gz RLBZNEQHJFPSSL-ZJUUUORDSA-N 2 2 270.333 -1.073 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852869807 582231470 /nfs/dbraw/zinc/23/14/70/582231470.db2.gz MDHMNQHJZFIALV-VIFPVBQESA-N 2 2 297.359 -1.502 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865808 582231488 /nfs/dbraw/zinc/23/14/88/582231488.db2.gz POFBKYZYLAMREX-ZJUUUORDSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865808 582231490 /nfs/dbraw/zinc/23/14/90/582231490.db2.gz POFBKYZYLAMREX-ZJUUUORDSA-N 2 2 270.333 -1.073 20 0 CAADLP COCC[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852857018 582231528 /nfs/dbraw/zinc/23/15/28/582231528.db2.gz IRMUNKKPBVTXRW-SNVBAGLBSA-N 2 2 270.333 -1.119 20 0 CAADLP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](CCO)CC2)=NO1 ZINC000852880018 582231710 /nfs/dbraw/zinc/23/17/10/582231710.db2.gz JFHLJBLRSFFFFC-VIFPVBQESA-N 2 2 256.306 -1.774 20 0 CAADLP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](CCO)CC2)=NO1 ZINC000852880017 582231866 /nfs/dbraw/zinc/23/18/66/582231866.db2.gz JFHLJBLRSFFFFC-SECBINFHSA-N 2 2 256.306 -1.774 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882892 582231981 /nfs/dbraw/zinc/23/19/81/582231981.db2.gz CDVWOBCDGJIXDY-SNVBAGLBSA-N 2 2 270.333 -1.119 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861681690 582244541 /nfs/dbraw/zinc/24/45/41/582244541.db2.gz OLUQZFGZPYEVOC-SNVBAGLBSA-N 2 2 260.338 -1.720 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861681690 582244542 /nfs/dbraw/zinc/24/45/42/582244542.db2.gz OLUQZFGZPYEVOC-SNVBAGLBSA-N 2 2 260.338 -1.720 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861681684 582244544 /nfs/dbraw/zinc/24/45/44/582244544.db2.gz OLUQZFGZPYEVOC-JTQLQIEISA-N 2 2 260.338 -1.720 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000861681684 582244545 /nfs/dbraw/zinc/24/45/45/582244545.db2.gz OLUQZFGZPYEVOC-JTQLQIEISA-N 2 2 260.338 -1.720 20 0 CAADLP C[N@H+](CCO)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000885800675 582244558 /nfs/dbraw/zinc/24/45/58/582244558.db2.gz FWTAZMANIMBZGE-UHFFFAOYSA-N 2 2 276.362 -1.273 20 0 CAADLP C[N@@H+](CCO)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000885800675 582244559 /nfs/dbraw/zinc/24/45/59/582244559.db2.gz FWTAZMANIMBZGE-UHFFFAOYSA-N 2 2 276.362 -1.273 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000861733008 582244729 /nfs/dbraw/zinc/24/47/29/582244729.db2.gz QOORTNONUOXIGT-SECBINFHSA-N 2 2 253.306 -1.195 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861756619 582245010 /nfs/dbraw/zinc/24/50/10/582245010.db2.gz DSDAHCLNYOGMSH-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1COCC[NH2+]1 ZINC000863545323 582248966 /nfs/dbraw/zinc/24/89/66/582248966.db2.gz OQAWXQVAJWTQLY-OUAUKWLOSA-N 2 2 257.334 -1.142 20 0 CAADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1COCC[NH2+]1 ZINC000863545321 582248988 /nfs/dbraw/zinc/24/89/88/582248988.db2.gz OQAWXQVAJWTQLY-GMTAPVOTSA-N 2 2 257.334 -1.142 20 0 CAADLP C[C@H]([NH3+])C[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000863570513 582249203 /nfs/dbraw/zinc/24/92/03/582249203.db2.gz XMLONYCINKCQSR-VIFPVBQESA-N 2 2 294.359 -1.287 20 0 CAADLP C[C@H]([NH3+])C[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000863570513 582249204 /nfs/dbraw/zinc/24/92/04/582249204.db2.gz XMLONYCINKCQSR-VIFPVBQESA-N 2 2 294.359 -1.287 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000863583464 582249333 /nfs/dbraw/zinc/24/93/33/582249333.db2.gz XQEPBIVUSRPIPU-DGCLKSJQSA-N 2 2 289.351 -1.161 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000863751512 582249779 /nfs/dbraw/zinc/24/97/79/582249779.db2.gz LNGBQNHBVJCENI-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000863751513 582249781 /nfs/dbraw/zinc/24/97/81/582249781.db2.gz LNGBQNHBVJCENI-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000863774442 582250177 /nfs/dbraw/zinc/25/01/77/582250177.db2.gz XSOVQOITZLVWPW-QWRGUYRKSA-N 2 2 286.376 -1.683 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000863769356 582250182 /nfs/dbraw/zinc/25/01/82/582250182.db2.gz FPIWQHQWOGAHRE-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@@H]1CO ZINC000864078564 582251526 /nfs/dbraw/zinc/25/15/26/582251526.db2.gz OXEXVPWCQHKRSF-CHWSQXEVSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@@H]1CO ZINC000864078564 582251527 /nfs/dbraw/zinc/25/15/27/582251527.db2.gz OXEXVPWCQHKRSF-CHWSQXEVSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H]1CO ZINC000864078566 582251565 /nfs/dbraw/zinc/25/15/65/582251565.db2.gz OXEXVPWCQHKRSF-OLZOCXBDSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H]1CO ZINC000864078566 582251566 /nfs/dbraw/zinc/25/15/66/582251566.db2.gz OXEXVPWCQHKRSF-OLZOCXBDSA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCN(C(=O)C(F)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000864382184 582252417 /nfs/dbraw/zinc/25/24/17/582252417.db2.gz OGAOTBXTUZSCLV-UHFFFAOYSA-N 2 2 286.351 -1.128 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864838134 582252645 /nfs/dbraw/zinc/25/26/45/582252645.db2.gz XIVITDLVTJGYTJ-GFCCVEGCSA-N 2 2 295.343 -1.325 20 0 CAADLP Cn1nnnc1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000866659066 582253903 /nfs/dbraw/zinc/25/39/03/582253903.db2.gz CELOSEMWDDXGFE-NSHDSACASA-N 2 2 293.375 -1.351 20 0 CAADLP Cn1nnnc1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000866659066 582253905 /nfs/dbraw/zinc/25/39/05/582253905.db2.gz CELOSEMWDDXGFE-NSHDSACASA-N 2 2 293.375 -1.351 20 0 CAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000866770458 582254306 /nfs/dbraw/zinc/25/43/06/582254306.db2.gz ZHDWWPXTZNIRGW-DTWKUNHWSA-N 2 2 299.343 -1.109 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000867548115 582254532 /nfs/dbraw/zinc/25/45/32/582254532.db2.gz AGPBOCRMEMEHNY-MWLCHTKSSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000867548115 582254533 /nfs/dbraw/zinc/25/45/33/582254533.db2.gz AGPBOCRMEMEHNY-MWLCHTKSSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000867548112 582254559 /nfs/dbraw/zinc/25/45/59/582254559.db2.gz AGPBOCRMEMEHNY-GXSJLCMTSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000867548112 582254560 /nfs/dbraw/zinc/25/45/60/582254560.db2.gz AGPBOCRMEMEHNY-GXSJLCMTSA-N 2 2 268.317 -1.032 20 0 CAADLP C[NH+](C)C[C@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868345373 582256183 /nfs/dbraw/zinc/25/61/83/582256183.db2.gz HCFRFXGEMOMUAF-VSQXVHSFSA-N 2 2 271.361 -1.087 20 0 CAADLP C[NH+](C)C[C@@H](CO)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868345372 582256230 /nfs/dbraw/zinc/25/62/30/582256230.db2.gz HCFRFXGEMOMUAF-PCAWENJQSA-N 2 2 271.361 -1.087 20 0 CAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869260808 582257184 /nfs/dbraw/zinc/25/71/84/582257184.db2.gz LTQONIIILLNBKJ-LBPRGKRZSA-N 2 2 297.359 -1.079 20 0 CAADLP CN1CCN(C(=O)CNC(=O)C[NH3+])Cc2ccc[nH+]c21 ZINC000871020971 582257974 /nfs/dbraw/zinc/25/79/74/582257974.db2.gz MRZPDOVTCHHXMO-UHFFFAOYSA-N 2 2 277.328 -1.065 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872196633 582258773 /nfs/dbraw/zinc/25/87/73/582258773.db2.gz WGPAEPJJWXOXQA-SMDDNHRTSA-N 2 2 280.372 -1.172 20 0 CAADLP C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC000874353189 582259968 /nfs/dbraw/zinc/25/99/68/582259968.db2.gz ZMUYZBRUBITUOC-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC000874353189 582259969 /nfs/dbraw/zinc/25/99/69/582259969.db2.gz ZMUYZBRUBITUOC-SNVBAGLBSA-N 2 2 256.350 -1.044 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)NCC(=O)N1CC[NH2+]CC1 ZINC000876511634 582262437 /nfs/dbraw/zinc/26/24/37/582262437.db2.gz QAUZYWOWQCJHKN-OWOJBTEDSA-N 2 2 296.371 -1.577 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)NCCN1CC[NH2+]CC1 ZINC000876510539 582262503 /nfs/dbraw/zinc/26/25/03/582262503.db2.gz NQHALRMXMBRWJW-OWOJBTEDSA-N 2 2 282.388 -1.104 20 0 CAADLP CN1CCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000876542022 582262591 /nfs/dbraw/zinc/26/25/91/582262591.db2.gz JOHBSTLUSCEUBA-IBUXWKBASA-N 2 2 282.388 -1.024 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C[NH3+])C1 ZINC000876541582 582262646 /nfs/dbraw/zinc/26/26/46/582262646.db2.gz ATFFKUFPDULYHF-CIUDSAMLSA-N 3 2 262.304 -1.072 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C[NH3+])C1 ZINC000876541582 582262647 /nfs/dbraw/zinc/26/26/47/582262647.db2.gz ATFFKUFPDULYHF-CIUDSAMLSA-N 3 2 262.304 -1.072 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000876542747 582262757 /nfs/dbraw/zinc/26/27/57/582262757.db2.gz SNLMHSFOXUXDKT-VIFPVBQESA-N 2 2 256.306 -1.460 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000876542747 582262758 /nfs/dbraw/zinc/26/27/58/582262758.db2.gz SNLMHSFOXUXDKT-VIFPVBQESA-N 2 2 256.306 -1.460 20 0 CAADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000876774550 582263162 /nfs/dbraw/zinc/26/31/62/582263162.db2.gz ZAGNTVYPDDBMFL-JTQLQIEISA-N 2 2 285.392 -1.717 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)N1CC[NH2+]CC1=O ZINC000876851057 582263412 /nfs/dbraw/zinc/26/34/12/582263412.db2.gz CDARMWUDUZUDPA-BDAKNGLRSA-N 2 2 290.314 -1.128 20 0 CAADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH2+]CC1=O ZINC000876851063 582263421 /nfs/dbraw/zinc/26/34/21/582263421.db2.gz CDARMWUDUZUDPA-DTWKUNHWSA-N 2 2 290.314 -1.128 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH2+]CC1=O ZINC000876851067 582263438 /nfs/dbraw/zinc/26/34/38/582263438.db2.gz CDARMWUDUZUDPA-RKDXNWHRSA-N 2 2 290.314 -1.128 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCO1 ZINC000876916888 582263742 /nfs/dbraw/zinc/26/37/42/582263742.db2.gz IQWBKNKMXARHHZ-UDSFMNFJSA-N 2 2 269.345 -1.021 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876987333 582263840 /nfs/dbraw/zinc/26/38/40/582263840.db2.gz XXZPBYFRUJHYKQ-NEPJUHHUSA-N 2 2 288.392 -1.973 20 0 CAADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876966305 582263925 /nfs/dbraw/zinc/26/39/25/582263925.db2.gz PAYJMMZGZIRNDE-RYUDHWBXSA-N 2 2 270.377 -1.192 20 0 CAADLP CC[NH2+]CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000876986287 582263970 /nfs/dbraw/zinc/26/39/70/582263970.db2.gz AHUFGOJRBLJXOJ-LLVKDONJSA-N 2 2 259.350 -1.253 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877035209 582264016 /nfs/dbraw/zinc/26/40/16/582264016.db2.gz VJKVNXVWBJPRJH-IUCAKERBSA-N 2 2 256.306 -1.463 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877035209 582264017 /nfs/dbraw/zinc/26/40/17/582264017.db2.gz VJKVNXVWBJPRJH-IUCAKERBSA-N 2 2 256.306 -1.463 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000877038758 582264028 /nfs/dbraw/zinc/26/40/28/582264028.db2.gz XQSSKFDPMABBCS-ISUDXETCSA-N 2 2 269.345 -1.021 20 0 CAADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000877038760 582264090 /nfs/dbraw/zinc/26/40/90/582264090.db2.gz XQSSKFDPMABBCS-YYRQZUAOSA-N 2 2 269.345 -1.021 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000877038759 582264130 /nfs/dbraw/zinc/26/41/30/582264130.db2.gz XQSSKFDPMABBCS-UDSFMNFJSA-N 2 2 269.345 -1.021 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000877242413 582264749 /nfs/dbraw/zinc/26/47/49/582264749.db2.gz PAVAKFAXFSGNSA-LPEHRKFASA-N 2 2 254.334 -1.340 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877289089 582264947 /nfs/dbraw/zinc/26/49/47/582264947.db2.gz SJQHTWDBSQFXAO-WDEREUQCSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877398836 582265239 /nfs/dbraw/zinc/26/52/39/582265239.db2.gz HUZPHMHPKDEVLB-MFKMUULPSA-N 2 2 266.345 -1.181 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398834 582265266 /nfs/dbraw/zinc/26/52/66/582265266.db2.gz HUZPHMHPKDEVLB-GWCFXTLKSA-N 2 2 266.345 -1.181 20 0 CAADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000877434081 582265296 /nfs/dbraw/zinc/26/52/96/582265296.db2.gz NCQPSJQXLRTTLE-JTQLQIEISA-N 2 2 272.349 -1.712 20 0 CAADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000877434081 582265298 /nfs/dbraw/zinc/26/52/98/582265298.db2.gz NCQPSJQXLRTTLE-JTQLQIEISA-N 2 2 272.349 -1.712 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878198915 582265953 /nfs/dbraw/zinc/26/59/53/582265953.db2.gz QNIGVLMBTYAYQC-GFCCVEGCSA-N 2 2 293.375 -1.089 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cnnn2)CC1 ZINC000878198915 582265954 /nfs/dbraw/zinc/26/59/54/582265954.db2.gz QNIGVLMBTYAYQC-GFCCVEGCSA-N 2 2 293.375 -1.089 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564902 582270024 /nfs/dbraw/zinc/27/00/24/582270024.db2.gz HCXDRLGHSLWWMZ-DGCLKSJQSA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564902 582270025 /nfs/dbraw/zinc/27/00/25/582270025.db2.gz HCXDRLGHSLWWMZ-DGCLKSJQSA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564902 582270026 /nfs/dbraw/zinc/27/00/26/582270026.db2.gz HCXDRLGHSLWWMZ-DGCLKSJQSA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564902 582270027 /nfs/dbraw/zinc/27/00/27/582270027.db2.gz HCXDRLGHSLWWMZ-DGCLKSJQSA-N 2 2 290.360 -1.465 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCNC2=O)[C@@H](C[NH3+])C1 ZINC000884041767 582273040 /nfs/dbraw/zinc/27/30/40/582273040.db2.gz HLHDEERRHOOXSF-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@H]2CCNC2=O)[C@@H](C[NH3+])C1 ZINC000884041767 582273042 /nfs/dbraw/zinc/27/30/42/582273042.db2.gz HLHDEERRHOOXSF-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](C[NH3+])C1 ZINC000884041764 582273067 /nfs/dbraw/zinc/27/30/67/582273067.db2.gz HLHDEERRHOOXSF-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](C[NH3+])C1 ZINC000884041764 582273068 /nfs/dbraw/zinc/27/30/68/582273068.db2.gz HLHDEERRHOOXSF-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000884389405 582274593 /nfs/dbraw/zinc/27/45/93/582274593.db2.gz WZBPCUDKMSRCKU-LBPRGKRZSA-N 2 2 289.376 -1.233 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884404960 582274806 /nfs/dbraw/zinc/27/48/06/582274806.db2.gz CHWLUAYKPUOTJB-MNOVXSKESA-N 2 2 257.334 -1.107 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884577617 582275567 /nfs/dbraw/zinc/27/55/67/582275567.db2.gz ITKRJNGLSWGONI-WOPDTQHZSA-N 2 2 296.371 -1.604 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884577616 582275571 /nfs/dbraw/zinc/27/55/71/582275571.db2.gz ITKRJNGLSWGONI-SRVKXCTJSA-N 2 2 296.371 -1.604 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884577383 582275596 /nfs/dbraw/zinc/27/55/96/582275596.db2.gz DOEAUYLOWLCREM-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP CN1CCN(C(=O)C(=O)NC2C[NH2+]C2)Cc2ccc[nH+]c21 ZINC000884692977 582276221 /nfs/dbraw/zinc/27/62/21/582276221.db2.gz GSSLHBIZDQHEIA-UHFFFAOYSA-N 2 2 289.339 -1.052 20 0 CAADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000886517562 582278890 /nfs/dbraw/zinc/27/88/90/582278890.db2.gz IJUBPMGLEIJERX-VXGBXAGGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000886517562 582278891 /nfs/dbraw/zinc/27/88/91/582278891.db2.gz IJUBPMGLEIJERX-VXGBXAGGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[NH+](C)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[NH+](C)C ZINC000888041784 582281099 /nfs/dbraw/zinc/28/10/99/582281099.db2.gz NELLXVAPZJCDFN-AOOOYVTPSA-N 2 2 272.349 -1.891 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449480 615169441 /nfs/dbraw/zinc/16/94/41/615169441.db2.gz VLAHVZZPAASIMM-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449480 615169442 /nfs/dbraw/zinc/16/94/42/615169442.db2.gz VLAHVZZPAASIMM-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980449480 615169444 /nfs/dbraw/zinc/16/94/44/615169444.db2.gz VLAHVZZPAASIMM-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980449480 615169446 /nfs/dbraw/zinc/16/94/46/615169446.db2.gz VLAHVZZPAASIMM-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449477 615181625 /nfs/dbraw/zinc/18/16/25/615181625.db2.gz VLAHVZZPAASIMM-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)C1 ZINC000980449477 615181627 /nfs/dbraw/zinc/18/16/27/615181627.db2.gz VLAHVZZPAASIMM-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC000980449477 615181628 /nfs/dbraw/zinc/18/16/28/615181628.db2.gz VLAHVZZPAASIMM-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC000980449477 615181631 /nfs/dbraw/zinc/18/16/31/615181631.db2.gz VLAHVZZPAASIMM-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962663614 615184953 /nfs/dbraw/zinc/18/49/53/615184953.db2.gz IGKMRCOKWHWAEC-SRRSOLGSSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962663614 615184957 /nfs/dbraw/zinc/18/49/57/615184957.db2.gz IGKMRCOKWHWAEC-SRRSOLGSSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962663614 615184958 /nfs/dbraw/zinc/18/49/58/615184958.db2.gz IGKMRCOKWHWAEC-SRRSOLGSSA-N 2 2 296.371 -1.761 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962663614 615184961 /nfs/dbraw/zinc/18/49/61/615184961.db2.gz IGKMRCOKWHWAEC-SRRSOLGSSA-N 2 2 296.371 -1.761 20 0 CAADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556816 616053538 /nfs/dbraw/zinc/05/35/38/616053538.db2.gz BOGDHAOTPSKAPG-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972556816 616053539 /nfs/dbraw/zinc/05/35/39/616053539.db2.gz BOGDHAOTPSKAPG-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968304642 616251371 /nfs/dbraw/zinc/25/13/71/616251371.db2.gz YXWFGNAZWYXCGN-NXEZZACHSA-N 2 2 270.333 -2.007 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000968304642 616251372 /nfs/dbraw/zinc/25/13/72/616251372.db2.gz YXWFGNAZWYXCGN-NXEZZACHSA-N 2 2 270.333 -2.007 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439979 655999974 /nfs/dbraw/zinc/99/99/74/655999974.db2.gz DBOSWURNCFLZAN-JQWIXIFHSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439979 655999977 /nfs/dbraw/zinc/99/99/77/655999977.db2.gz DBOSWURNCFLZAN-JQWIXIFHSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439981 656000060 /nfs/dbraw/zinc/00/00/60/656000060.db2.gz DBOSWURNCFLZAN-ZYHUDNBSSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439981 656000062 /nfs/dbraw/zinc/00/00/62/656000062.db2.gz DBOSWURNCFLZAN-ZYHUDNBSSA-N 2 2 271.361 -1.254 20 0 CAADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969518749 656000892 /nfs/dbraw/zinc/00/08/92/656000892.db2.gz UDSXROYGRLREIY-SNVBAGLBSA-N 2 2 265.317 -1.051 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020816546 656008347 /nfs/dbraw/zinc/00/83/47/656008347.db2.gz LXPIIMQHQLFURS-ZKCHVHJHSA-N 2 2 251.290 -1.326 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126118 656013079 /nfs/dbraw/zinc/01/30/79/656013079.db2.gz GFGHOQQWUYZXTL-KYZUINATSA-N 2 2 251.290 -1.395 20 0 CAADLP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021127060 656013574 /nfs/dbraw/zinc/01/35/74/656013574.db2.gz DQIMHZHMMAMNQV-MGCOHNPYSA-N 2 2 290.331 -1.156 20 0 CAADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970856061 656019185 /nfs/dbraw/zinc/01/91/85/656019185.db2.gz FKTHJHLBPPIQMN-SECBINFHSA-N 2 2 251.290 -1.441 20 0 CAADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000970856535 656019288 /nfs/dbraw/zinc/01/92/88/656019288.db2.gz MBYNPCQSQHEMCC-NXEZZACHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875582 656019456 /nfs/dbraw/zinc/01/94/56/656019456.db2.gz QDWGSOBVDNOBBW-ZJUUUORDSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875582 656019459 /nfs/dbraw/zinc/01/94/59/656019459.db2.gz QDWGSOBVDNOBBW-ZJUUUORDSA-N 2 2 268.361 -1.140 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775992 656034645 /nfs/dbraw/zinc/03/46/45/656034645.db2.gz RLEWXFKETGVERL-OCAPTIKFSA-N 2 2 251.290 -1.326 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023084440 656042394 /nfs/dbraw/zinc/04/23/94/656042394.db2.gz PAPDCJZZBJLGKF-MXWKQRLJSA-N 2 2 293.375 -1.101 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023084440 656042396 /nfs/dbraw/zinc/04/23/96/656042396.db2.gz PAPDCJZZBJLGKF-MXWKQRLJSA-N 2 2 293.375 -1.101 20 0 CAADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001023161198 656043709 /nfs/dbraw/zinc/04/37/09/656043709.db2.gz RWFDNFVPCINALS-BBBLOLIVSA-N 2 2 265.317 -1.006 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719367 656066604 /nfs/dbraw/zinc/06/66/04/656066604.db2.gz LTZFIZJWEPERCM-ZIQFBCGOSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719367 656066607 /nfs/dbraw/zinc/06/66/07/656066607.db2.gz LTZFIZJWEPERCM-ZIQFBCGOSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719367 656066609 /nfs/dbraw/zinc/06/66/09/656066609.db2.gz LTZFIZJWEPERCM-ZIQFBCGOSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719367 656066614 /nfs/dbraw/zinc/06/66/14/656066614.db2.gz LTZFIZJWEPERCM-ZIQFBCGOSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719366 656066892 /nfs/dbraw/zinc/06/68/92/656066892.db2.gz LTZFIZJWEPERCM-PREPNJAASA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719366 656066896 /nfs/dbraw/zinc/06/68/96/656066896.db2.gz LTZFIZJWEPERCM-PREPNJAASA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719366 656066898 /nfs/dbraw/zinc/06/68/98/656066898.db2.gz LTZFIZJWEPERCM-PREPNJAASA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719366 656066902 /nfs/dbraw/zinc/06/69/02/656066902.db2.gz LTZFIZJWEPERCM-PREPNJAASA-N 2 2 296.371 -1.763 20 0 CAADLP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027347575 656083229 /nfs/dbraw/zinc/08/32/29/656083229.db2.gz XGIVWOWHSKNMNL-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027347575 656083231 /nfs/dbraw/zinc/08/32/31/656083231.db2.gz XGIVWOWHSKNMNL-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027347575 656083235 /nfs/dbraw/zinc/08/32/35/656083235.db2.gz XGIVWOWHSKNMNL-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027347575 656083240 /nfs/dbraw/zinc/08/32/40/656083240.db2.gz XGIVWOWHSKNMNL-RYUDHWBXSA-N 2 2 298.387 -1.275 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461148 656114435 /nfs/dbraw/zinc/11/44/35/656114435.db2.gz KWPYXQHWMVWHBB-VXGBXAGGSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461148 656114436 /nfs/dbraw/zinc/11/44/36/656114436.db2.gz KWPYXQHWMVWHBB-VXGBXAGGSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461148 656114438 /nfs/dbraw/zinc/11/44/38/656114438.db2.gz KWPYXQHWMVWHBB-VXGBXAGGSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461148 656114441 /nfs/dbraw/zinc/11/44/41/656114441.db2.gz KWPYXQHWMVWHBB-VXGBXAGGSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461146 656114698 /nfs/dbraw/zinc/11/46/98/656114698.db2.gz KWPYXQHWMVWHBB-NWDGAFQWSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028461146 656114700 /nfs/dbraw/zinc/11/47/00/656114700.db2.gz KWPYXQHWMVWHBB-NWDGAFQWSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028461146 656114702 /nfs/dbraw/zinc/11/47/02/656114702.db2.gz KWPYXQHWMVWHBB-NWDGAFQWSA-N 2 2 298.387 -1.499 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028461146 656114703 /nfs/dbraw/zinc/11/47/03/656114703.db2.gz KWPYXQHWMVWHBB-NWDGAFQWSA-N 2 2 298.387 -1.499 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466854 656114904 /nfs/dbraw/zinc/11/49/04/656114904.db2.gz SWFKMLSXRFETOA-WDEREUQCSA-N 2 2 284.360 -1.760 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466854 656114906 /nfs/dbraw/zinc/11/49/06/656114906.db2.gz SWFKMLSXRFETOA-WDEREUQCSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028466854 656114907 /nfs/dbraw/zinc/11/49/07/656114907.db2.gz SWFKMLSXRFETOA-WDEREUQCSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466854 656114908 /nfs/dbraw/zinc/11/49/08/656114908.db2.gz SWFKMLSXRFETOA-WDEREUQCSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973721 656121433 /nfs/dbraw/zinc/12/14/33/656121433.db2.gz FNXFFUXASMJQNT-HNCHTBHHSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000924973721 656121435 /nfs/dbraw/zinc/12/14/35/656121435.db2.gz FNXFFUXASMJQNT-HNCHTBHHSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000924973721 656121436 /nfs/dbraw/zinc/12/14/36/656121436.db2.gz FNXFFUXASMJQNT-HNCHTBHHSA-N 2 2 271.361 -1.377 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029256726 656125830 /nfs/dbraw/zinc/12/58/30/656125830.db2.gz JWWPXTJMFUFRBO-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029256726 656125832 /nfs/dbraw/zinc/12/58/32/656125832.db2.gz JWWPXTJMFUFRBO-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029256726 656125833 /nfs/dbraw/zinc/12/58/33/656125833.db2.gz JWWPXTJMFUFRBO-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029256726 656125835 /nfs/dbraw/zinc/12/58/35/656125835.db2.gz JWWPXTJMFUFRBO-FRRDWIJNSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(F)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928551897 656126928 /nfs/dbraw/zinc/12/69/28/656126928.db2.gz GIWRBXPMERWSMN-NXEZZACHSA-N 2 2 286.351 -1.035 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)C(F)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928551897 656126930 /nfs/dbraw/zinc/12/69/30/656126930.db2.gz GIWRBXPMERWSMN-NXEZZACHSA-N 2 2 286.351 -1.035 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001007005910 656129651 /nfs/dbraw/zinc/12/96/51/656129651.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001007005910 656129653 /nfs/dbraw/zinc/12/96/53/656129653.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005910 656129654 /nfs/dbraw/zinc/12/96/54/656129654.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005910 656129657 /nfs/dbraw/zinc/12/96/57/656129657.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985352676 656130786 /nfs/dbraw/zinc/13/07/86/656130786.db2.gz VNGGQEGUZCEISK-LBPRGKRZSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985352676 656130797 /nfs/dbraw/zinc/13/07/97/656130797.db2.gz VNGGQEGUZCEISK-LBPRGKRZSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000985352676 656130808 /nfs/dbraw/zinc/13/08/08/656130808.db2.gz VNGGQEGUZCEISK-LBPRGKRZSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000985352676 656130813 /nfs/dbraw/zinc/13/08/13/656130813.db2.gz VNGGQEGUZCEISK-LBPRGKRZSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985352666 656131099 /nfs/dbraw/zinc/13/10/99/656131099.db2.gz VNGGQEGUZCEISK-GFCCVEGCSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985352666 656131102 /nfs/dbraw/zinc/13/11/02/656131102.db2.gz VNGGQEGUZCEISK-GFCCVEGCSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000985352666 656131105 /nfs/dbraw/zinc/13/11/05/656131105.db2.gz VNGGQEGUZCEISK-GFCCVEGCSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000985352666 656131107 /nfs/dbraw/zinc/13/11/07/656131107.db2.gz VNGGQEGUZCEISK-GFCCVEGCSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929102772 656147703 /nfs/dbraw/zinc/14/77/03/656147703.db2.gz SWRVVZKDIDIQOR-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929102772 656147705 /nfs/dbraw/zinc/14/77/05/656147705.db2.gz SWRVVZKDIDIQOR-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900600229 656169047 /nfs/dbraw/zinc/16/90/47/656169047.db2.gz BIYNPYFAZMOYHB-SCRDCRAPSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900600229 656169048 /nfs/dbraw/zinc/16/90/48/656169048.db2.gz BIYNPYFAZMOYHB-SCRDCRAPSA-N 2 2 285.388 -1.034 20 0 CAADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)C1(C[NH3+])CCOCC1 ZINC000904970329 656188511 /nfs/dbraw/zinc/18/85/11/656188511.db2.gz LFZQZOPRMHHNGI-UHFFFAOYSA-N 2 2 298.387 -1.273 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000905015255 656189212 /nfs/dbraw/zinc/18/92/12/656189212.db2.gz NRZZCLDFEMAWTG-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](C[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905344378 656190959 /nfs/dbraw/zinc/19/09/59/656190959.db2.gz YPWXBWPPWNDAPB-SNVBAGLBSA-N 2 2 265.379 -1.025 20 0 CAADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000906048061 656192448 /nfs/dbraw/zinc/19/24/48/656192448.db2.gz WDOQBNFWYIFQSK-UHFFFAOYSA-N 2 2 284.404 -1.384 20 0 CAADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000906048061 656192449 /nfs/dbraw/zinc/19/24/49/656192449.db2.gz WDOQBNFWYIFQSK-UHFFFAOYSA-N 2 2 284.404 -1.384 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1CCO ZINC000907545908 656199048 /nfs/dbraw/zinc/19/90/48/656199048.db2.gz ZJJUJHJJGHXRRH-YRGRVCCFSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1CCO ZINC000907545908 656199049 /nfs/dbraw/zinc/19/90/49/656199049.db2.gz ZJJUJHJJGHXRRH-YRGRVCCFSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1CCO ZINC000907545908 656199050 /nfs/dbraw/zinc/19/90/50/656199050.db2.gz ZJJUJHJJGHXRRH-YRGRVCCFSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1CCO ZINC000907545908 656199052 /nfs/dbraw/zinc/19/90/52/656199052.db2.gz ZJJUJHJJGHXRRH-YRGRVCCFSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000910986196 656231937 /nfs/dbraw/zinc/23/19/37/656231937.db2.gz HCRNJUNAPNGASA-NXEZZACHSA-N 2 2 265.317 -1.195 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910987086 656231985 /nfs/dbraw/zinc/23/19/85/656231985.db2.gz MWWOLRPOZYVHJG-MNOVXSKESA-N 2 2 279.344 -1.029 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911515251 656249590 /nfs/dbraw/zinc/24/95/90/656249590.db2.gz RXIMVCFENBHBBC-YRGRVCCFSA-N 2 2 283.372 -1.281 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911515251 656249593 /nfs/dbraw/zinc/24/95/93/656249593.db2.gz RXIMVCFENBHBBC-YRGRVCCFSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911515251 656249597 /nfs/dbraw/zinc/24/95/97/656249597.db2.gz RXIMVCFENBHBBC-YRGRVCCFSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911515251 656249600 /nfs/dbraw/zinc/24/96/00/656249600.db2.gz RXIMVCFENBHBBC-YRGRVCCFSA-N 2 2 283.372 -1.281 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911515248 656249655 /nfs/dbraw/zinc/24/96/55/656249655.db2.gz RXIMVCFENBHBBC-BZPMIXESSA-N 2 2 283.372 -1.281 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911515248 656249657 /nfs/dbraw/zinc/24/96/57/656249657.db2.gz RXIMVCFENBHBBC-BZPMIXESSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911515248 656249659 /nfs/dbraw/zinc/24/96/59/656249659.db2.gz RXIMVCFENBHBBC-BZPMIXESSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911515248 656249660 /nfs/dbraw/zinc/24/96/60/656249660.db2.gz RXIMVCFENBHBBC-BZPMIXESSA-N 2 2 283.372 -1.281 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911507527 656249702 /nfs/dbraw/zinc/24/97/02/656249702.db2.gz YKADATUKVMBMKN-UHFFFAOYSA-N 2 2 298.387 -1.225 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000912742944 656266973 /nfs/dbraw/zinc/26/69/73/656266973.db2.gz LVOLCYXONOKNOH-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000912742944 656266982 /nfs/dbraw/zinc/26/69/82/656266982.db2.gz LVOLCYXONOKNOH-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170916 656273111 /nfs/dbraw/zinc/27/31/11/656273111.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170916 656273114 /nfs/dbraw/zinc/27/31/14/656273114.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170916 656273121 /nfs/dbraw/zinc/27/31/21/656273121.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170916 656273127 /nfs/dbraw/zinc/27/31/27/656273127.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170915 656273426 /nfs/dbraw/zinc/27/34/26/656273426.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000913170915 656273427 /nfs/dbraw/zinc/27/34/27/656273427.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913170915 656273428 /nfs/dbraw/zinc/27/34/28/656273428.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000913170915 656273430 /nfs/dbraw/zinc/27/34/30/656273430.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 2 2 271.361 -1.376 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182334 656274309 /nfs/dbraw/zinc/27/43/09/656274309.db2.gz WENRZEQRZSDGBE-NSHDSACASA-N 2 2 254.290 -1.650 20 0 CAADLP O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000913182390 656275155 /nfs/dbraw/zinc/27/51/55/656275155.db2.gz XGJDIRSYQSWHOC-SMDDNHRTSA-N 2 2 294.355 -1.087 20 0 CAADLP O=C(CNc1cccc[nH+]1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913183936 656275275 /nfs/dbraw/zinc/27/52/75/656275275.db2.gz MCHSTVIKONFTDG-ZDUSSCGKSA-N 2 2 280.328 -1.039 20 0 CAADLP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000913182388 656275705 /nfs/dbraw/zinc/27/57/05/656275705.db2.gz XGJDIRSYQSWHOC-FZMZJTMJSA-N 2 2 294.355 -1.087 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913188454 656277078 /nfs/dbraw/zinc/27/70/78/656277078.db2.gz IRWWUFWGSGTEMX-DGCLKSJQSA-N 2 2 271.361 -1.062 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913188454 656277081 /nfs/dbraw/zinc/27/70/81/656277081.db2.gz IRWWUFWGSGTEMX-DGCLKSJQSA-N 2 2 271.361 -1.062 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913186497 656277245 /nfs/dbraw/zinc/27/72/45/656277245.db2.gz IHBNZRLEJLERCA-WCQYABFASA-N 2 2 287.360 -1.826 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913186497 656277248 /nfs/dbraw/zinc/27/72/48/656277248.db2.gz IHBNZRLEJLERCA-WCQYABFASA-N 2 2 287.360 -1.826 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913187206 656277436 /nfs/dbraw/zinc/27/74/36/656277436.db2.gz XAMIGDAFTPKTAS-CMPLNLGQSA-N 2 2 273.333 -2.216 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913187206 656277441 /nfs/dbraw/zinc/27/74/41/656277441.db2.gz XAMIGDAFTPKTAS-CMPLNLGQSA-N 2 2 273.333 -2.216 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913187209 656277755 /nfs/dbraw/zinc/27/77/55/656277755.db2.gz XAMIGDAFTPKTAS-ZYHUDNBSSA-N 2 2 273.333 -2.216 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913187209 656277762 /nfs/dbraw/zinc/27/77/62/656277762.db2.gz XAMIGDAFTPKTAS-ZYHUDNBSSA-N 2 2 273.333 -2.216 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913187207 656278379 /nfs/dbraw/zinc/27/83/79/656278379.db2.gz XAMIGDAFTPKTAS-JQWIXIFHSA-N 2 2 273.333 -2.216 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913187207 656278384 /nfs/dbraw/zinc/27/83/84/656278384.db2.gz XAMIGDAFTPKTAS-JQWIXIFHSA-N 2 2 273.333 -2.216 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913191846 656278615 /nfs/dbraw/zinc/27/86/15/656278615.db2.gz UEJABLLMXHYZKD-ZDUSSCGKSA-N 2 2 287.360 -1.824 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H]1CO ZINC000913541551 656284727 /nfs/dbraw/zinc/28/47/27/656284727.db2.gz PFBBUXAAMUKFLV-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H]1CO ZINC000913541551 656284731 /nfs/dbraw/zinc/28/47/31/656284731.db2.gz PFBBUXAAMUKFLV-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1CO ZINC000913541551 656284735 /nfs/dbraw/zinc/28/47/35/656284735.db2.gz PFBBUXAAMUKFLV-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1CO ZINC000913541551 656284741 /nfs/dbraw/zinc/28/47/41/656284741.db2.gz PFBBUXAAMUKFLV-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1CO ZINC000913541552 656285075 /nfs/dbraw/zinc/28/50/75/656285075.db2.gz PFBBUXAAMUKFLV-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@@H]1CO ZINC000913541552 656285079 /nfs/dbraw/zinc/28/50/79/656285079.db2.gz PFBBUXAAMUKFLV-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1CO ZINC000913541552 656285082 /nfs/dbraw/zinc/28/50/82/656285082.db2.gz PFBBUXAAMUKFLV-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1CO ZINC000913541552 656285085 /nfs/dbraw/zinc/28/50/85/656285085.db2.gz PFBBUXAAMUKFLV-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000225363937 656297527 /nfs/dbraw/zinc/29/75/27/656297527.db2.gz ARKWSQPAQNONNG-NSHDSACASA-N 2 2 291.421 -2.028 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000225363937 656297529 /nfs/dbraw/zinc/29/75/29/656297529.db2.gz ARKWSQPAQNONNG-NSHDSACASA-N 2 2 291.421 -2.028 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000225364574 656297663 /nfs/dbraw/zinc/29/76/63/656297663.db2.gz SCROWSNJRFZRLF-NWDGAFQWSA-N 2 2 290.433 -1.096 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000225364574 656297667 /nfs/dbraw/zinc/29/76/67/656297667.db2.gz SCROWSNJRFZRLF-NWDGAFQWSA-N 2 2 290.433 -1.096 20 0 CAADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913556120 656321478 /nfs/dbraw/zinc/32/14/78/656321478.db2.gz QGYFQHMWKJOYLZ-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913556120 656321481 /nfs/dbraw/zinc/32/14/81/656321481.db2.gz QGYFQHMWKJOYLZ-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913556120 656321485 /nfs/dbraw/zinc/32/14/85/656321485.db2.gz QGYFQHMWKJOYLZ-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913556120 656321490 /nfs/dbraw/zinc/32/14/90/656321490.db2.gz QGYFQHMWKJOYLZ-CYBMUJFWSA-N 2 2 284.404 -1.385 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929848636 656353688 /nfs/dbraw/zinc/35/36/88/656353688.db2.gz OWVKBVIGGXRJDV-NWDGAFQWSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929848638 656353773 /nfs/dbraw/zinc/35/37/73/656353773.db2.gz OWVKBVIGGXRJDV-VXGBXAGGSA-N 2 2 271.361 -1.422 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689637 656383183 /nfs/dbraw/zinc/38/31/83/656383183.db2.gz XWFJWSWZHDLNCW-VXGBXAGGSA-N 2 2 296.371 -1.617 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689637 656383189 /nfs/dbraw/zinc/38/31/89/656383189.db2.gz XWFJWSWZHDLNCW-VXGBXAGGSA-N 2 2 296.371 -1.617 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689629 656383316 /nfs/dbraw/zinc/38/33/16/656383316.db2.gz XWFJWSWZHDLNCW-NEPJUHHUSA-N 2 2 296.371 -1.617 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031689629 656383318 /nfs/dbraw/zinc/38/33/18/656383318.db2.gz XWFJWSWZHDLNCW-NEPJUHHUSA-N 2 2 296.371 -1.617 20 0 CAADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC000939216497 656392819 /nfs/dbraw/zinc/39/28/19/656392819.db2.gz WRJYTWRISRYSLX-WPRPVWTQSA-N 2 2 265.317 -1.126 20 0 CAADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC(N)=O ZINC000939534507 656396777 /nfs/dbraw/zinc/39/67/77/656396777.db2.gz KYJYYADXAAABKK-MWLCHTKSSA-N 2 2 279.344 -1.116 20 0 CAADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC000939856596 656399513 /nfs/dbraw/zinc/39/95/13/656399513.db2.gz OUXXWLDCXLDVRB-NXEZZACHSA-N 2 2 265.317 -1.195 20 0 CAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980608 656448213 /nfs/dbraw/zinc/44/82/13/656448213.db2.gz WNPLCVYVUUIDMH-ONGXEEELSA-N 2 2 268.361 -1.283 20 0 CAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980608 656448223 /nfs/dbraw/zinc/44/82/23/656448223.db2.gz WNPLCVYVUUIDMH-ONGXEEELSA-N 2 2 268.361 -1.283 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130442 656467202 /nfs/dbraw/zinc/46/72/02/656467202.db2.gz QEDYFDYDDGCDRL-UHFFFAOYSA-N 2 2 280.372 -1.124 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182581 656467958 /nfs/dbraw/zinc/46/79/58/656467958.db2.gz NWGCNFWWAZCTQP-ONGXEEELSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182581 656467961 /nfs/dbraw/zinc/46/79/61/656467961.db2.gz NWGCNFWWAZCTQP-ONGXEEELSA-N 2 2 268.361 -1.140 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032183016 656468333 /nfs/dbraw/zinc/46/83/33/656468333.db2.gz XMWIQVBJJQNMCK-JTQLQIEISA-N 2 2 254.334 -1.529 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032183016 656468335 /nfs/dbraw/zinc/46/83/35/656468335.db2.gz XMWIQVBJJQNMCK-JTQLQIEISA-N 2 2 254.334 -1.529 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182580 656468385 /nfs/dbraw/zinc/46/83/85/656468385.db2.gz NWGCNFWWAZCTQP-MWLCHTKSSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182580 656468387 /nfs/dbraw/zinc/46/83/87/656468387.db2.gz NWGCNFWWAZCTQP-MWLCHTKSSA-N 2 2 268.361 -1.140 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604121 656473500 /nfs/dbraw/zinc/47/35/00/656473500.db2.gz LAYVHZXRVDPXGP-MNOVXSKESA-N 2 2 298.387 -1.371 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032331862 656495731 /nfs/dbraw/zinc/49/57/31/656495731.db2.gz LYBVUVRDNUXSTL-SRVKXCTJSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032331862 656495734 /nfs/dbraw/zinc/49/57/34/656495734.db2.gz LYBVUVRDNUXSTL-SRVKXCTJSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032331862 656495739 /nfs/dbraw/zinc/49/57/39/656495739.db2.gz LYBVUVRDNUXSTL-SRVKXCTJSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032331862 656495743 /nfs/dbraw/zinc/49/57/43/656495743.db2.gz LYBVUVRDNUXSTL-SRVKXCTJSA-N 2 2 269.345 -1.406 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)O1 ZINC001032473062 656513452 /nfs/dbraw/zinc/51/34/52/656513452.db2.gz ZJAPKCBLXMRSJJ-MROQNXINSA-N 2 2 283.372 -1.017 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)O1 ZINC001032473062 656513459 /nfs/dbraw/zinc/51/34/59/656513459.db2.gz ZJAPKCBLXMRSJJ-MROQNXINSA-N 2 2 283.372 -1.017 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)O1 ZINC001032473062 656513465 /nfs/dbraw/zinc/51/34/65/656513465.db2.gz ZJAPKCBLXMRSJJ-MROQNXINSA-N 2 2 283.372 -1.017 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)O1 ZINC001032473062 656513470 /nfs/dbraw/zinc/51/34/70/656513470.db2.gz ZJAPKCBLXMRSJJ-MROQNXINSA-N 2 2 283.372 -1.017 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002535103 656630771 /nfs/dbraw/zinc/63/07/71/656630771.db2.gz PKZJTVWSVDUYGV-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002535103 656630774 /nfs/dbraw/zinc/63/07/74/656630774.db2.gz PKZJTVWSVDUYGV-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929259775 656632886 /nfs/dbraw/zinc/63/28/86/656632886.db2.gz NARZJKMENXNTIF-GFCCVEGCSA-N 2 2 285.388 -1.032 20 0 CAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001032981368 656670194 /nfs/dbraw/zinc/67/01/94/656670194.db2.gz RKPLCSTWNDSMFJ-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001032981368 656670206 /nfs/dbraw/zinc/67/02/06/656670206.db2.gz RKPLCSTWNDSMFJ-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001032981368 656670227 /nfs/dbraw/zinc/67/02/27/656670227.db2.gz RKPLCSTWNDSMFJ-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001032981366 656670331 /nfs/dbraw/zinc/67/03/31/656670331.db2.gz RKPLCSTWNDSMFJ-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001032981366 656670346 /nfs/dbraw/zinc/67/03/46/656670346.db2.gz RKPLCSTWNDSMFJ-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001032981366 656670371 /nfs/dbraw/zinc/67/03/71/656670371.db2.gz RKPLCSTWNDSMFJ-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP [NH3+]C[C@]1(CO)COCCN1CC[NH+]1CCOCC1 ZINC000703308879 656745294 /nfs/dbraw/zinc/74/52/94/656745294.db2.gz PZBCNJYSSIEJDF-LBPRGKRZSA-N 2 2 259.350 -1.659 20 0 CAADLP [NH3+]C[C@@]1(CO)COCCN1CC[NH+]1CCOCC1 ZINC000703308873 656745311 /nfs/dbraw/zinc/74/53/11/656745311.db2.gz PZBCNJYSSIEJDF-GFCCVEGCSA-N 2 2 259.350 -1.659 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035312220 656757008 /nfs/dbraw/zinc/75/70/08/656757008.db2.gz HCEYWHOJEGLBSN-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035312220 656757010 /nfs/dbraw/zinc/75/70/10/656757010.db2.gz HCEYWHOJEGLBSN-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035312220 656757013 /nfs/dbraw/zinc/75/70/13/656757013.db2.gz HCEYWHOJEGLBSN-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035312220 656757016 /nfs/dbraw/zinc/75/70/16/656757016.db2.gz HCEYWHOJEGLBSN-NWDGAFQWSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035312223 656757276 /nfs/dbraw/zinc/75/72/76/656757276.db2.gz HCEYWHOJEGLBSN-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035312223 656757282 /nfs/dbraw/zinc/75/72/82/656757282.db2.gz HCEYWHOJEGLBSN-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035312223 656757289 /nfs/dbraw/zinc/75/72/89/656757289.db2.gz HCEYWHOJEGLBSN-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035312223 656757292 /nfs/dbraw/zinc/75/72/92/656757292.db2.gz HCEYWHOJEGLBSN-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001035615591 656780148 /nfs/dbraw/zinc/78/01/48/656780148.db2.gz ZEWYFPKQLQPHIH-VXGBXAGGSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001035615591 656780161 /nfs/dbraw/zinc/78/01/61/656780161.db2.gz ZEWYFPKQLQPHIH-VXGBXAGGSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001035615591 656780172 /nfs/dbraw/zinc/78/01/72/656780172.db2.gz ZEWYFPKQLQPHIH-VXGBXAGGSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035615591 656780186 /nfs/dbraw/zinc/78/01/86/656780186.db2.gz ZEWYFPKQLQPHIH-VXGBXAGGSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035615590 656781041 /nfs/dbraw/zinc/78/10/41/656781041.db2.gz ZEWYFPKQLQPHIH-RYUDHWBXSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001035615590 656781048 /nfs/dbraw/zinc/78/10/48/656781048.db2.gz ZEWYFPKQLQPHIH-RYUDHWBXSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001035615590 656781059 /nfs/dbraw/zinc/78/10/59/656781059.db2.gz ZEWYFPKQLQPHIH-RYUDHWBXSA-N 2 2 271.361 -1.253 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001035615590 656781076 /nfs/dbraw/zinc/78/10/76/656781076.db2.gz ZEWYFPKQLQPHIH-RYUDHWBXSA-N 2 2 271.361 -1.253 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709859739 656793572 /nfs/dbraw/zinc/79/35/72/656793572.db2.gz JRFWILDFKRILJM-BFHYXJOUSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709859739 656793579 /nfs/dbraw/zinc/79/35/79/656793579.db2.gz JRFWILDFKRILJM-BFHYXJOUSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709859739 656793584 /nfs/dbraw/zinc/79/35/84/656793584.db2.gz JRFWILDFKRILJM-BFHYXJOUSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709859739 656793588 /nfs/dbraw/zinc/79/35/88/656793588.db2.gz JRFWILDFKRILJM-BFHYXJOUSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709853176 656794162 /nfs/dbraw/zinc/79/41/62/656794162.db2.gz JRFWILDFKRILJM-MELADBBJSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709853176 656794169 /nfs/dbraw/zinc/79/41/69/656794169.db2.gz JRFWILDFKRILJM-MELADBBJSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709853176 656794177 /nfs/dbraw/zinc/79/41/77/656794177.db2.gz JRFWILDFKRILJM-MELADBBJSA-N 2 2 290.404 -1.009 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709853176 656794181 /nfs/dbraw/zinc/79/41/81/656794181.db2.gz JRFWILDFKRILJM-MELADBBJSA-N 2 2 290.404 -1.009 20 0 CAADLP CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316135 656802598 /nfs/dbraw/zinc/80/25/98/656802598.db2.gz SJVVAGLWWZQWLS-NAKRPEOUSA-N 2 2 277.390 -1.149 20 0 CAADLP CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316135 656802600 /nfs/dbraw/zinc/80/26/00/656802600.db2.gz SJVVAGLWWZQWLS-NAKRPEOUSA-N 2 2 277.390 -1.149 20 0 CAADLP CS(=O)(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923302363 656802730 /nfs/dbraw/zinc/80/27/30/656802730.db2.gz WGDZWEFKSXXILG-LLVKDONJSA-N 2 2 289.401 -1.058 20 0 CAADLP CS(=O)(=O)N[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923302994 656802753 /nfs/dbraw/zinc/80/27/53/656802753.db2.gz GPZYZHILIUHTRB-NAKRPEOUSA-N 2 2 277.390 -1.149 20 0 CAADLP CS(=O)(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923302994 656802756 /nfs/dbraw/zinc/80/27/56/656802756.db2.gz GPZYZHILIUHTRB-NAKRPEOUSA-N 2 2 277.390 -1.149 20 0 CAADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316136 656802764 /nfs/dbraw/zinc/80/27/64/656802764.db2.gz SJVVAGLWWZQWLS-VLEAKVRGSA-N 2 2 277.390 -1.149 20 0 CAADLP CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316136 656802765 /nfs/dbraw/zinc/80/27/65/656802765.db2.gz SJVVAGLWWZQWLS-VLEAKVRGSA-N 2 2 277.390 -1.149 20 0 CAADLP C[N@H+](CC(=O)N1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923302993 656802917 /nfs/dbraw/zinc/80/29/17/656802917.db2.gz GPMBNULHBKMDFK-DCAQKATOSA-N 2 2 257.334 -1.372 20 0 CAADLP C[N@@H+](CC(=O)N1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923302993 656802919 /nfs/dbraw/zinc/80/29/19/656802919.db2.gz GPMBNULHBKMDFK-DCAQKATOSA-N 2 2 257.334 -1.372 20 0 CAADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332104 656802985 /nfs/dbraw/zinc/80/29/85/656802985.db2.gz HCKLDWHEOOABLS-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP COC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332104 656802986 /nfs/dbraw/zinc/80/29/86/656802986.db2.gz HCKLDWHEOOABLS-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP COCCCNC(=O)C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301334 656803194 /nfs/dbraw/zinc/80/31/94/656803194.db2.gz HXVJTXDAUMWXNZ-DCAQKATOSA-N 2 2 259.350 -1.079 20 0 CAADLP COCCCNC(=O)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301334 656803195 /nfs/dbraw/zinc/80/31/95/656803195.db2.gz HXVJTXDAUMWXNZ-DCAQKATOSA-N 2 2 259.350 -1.079 20 0 CAADLP COC(=O)CN(C)C(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459674 656804852 /nfs/dbraw/zinc/80/48/52/656804852.db2.gz LALGYONXCFSTNY-UHFFFAOYSA-N 2 2 286.376 -1.497 20 0 CAADLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923477506 656806344 /nfs/dbraw/zinc/80/63/44/656806344.db2.gz KUBBQEVURJSAIW-CYBMUJFWSA-N 3 2 270.377 -1.406 20 0 CAADLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923477506 656806348 /nfs/dbraw/zinc/80/63/48/656806348.db2.gz KUBBQEVURJSAIW-CYBMUJFWSA-N 3 2 270.377 -1.406 20 0 CAADLP O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550433 656806719 /nfs/dbraw/zinc/80/67/19/656806719.db2.gz XTJCXRSFGZLKOT-GHMZBOCLSA-N 2 2 274.390 -1.180 20 0 CAADLP O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550433 656806723 /nfs/dbraw/zinc/80/67/23/656806723.db2.gz XTJCXRSFGZLKOT-GHMZBOCLSA-N 2 2 274.390 -1.180 20 0 CAADLP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000923620230 656810192 /nfs/dbraw/zinc/81/01/92/656810192.db2.gz SBDOSGGIWGEIKJ-NSHDSACASA-N 2 2 290.433 -1.239 20 0 CAADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C ZINC000923620636 656810509 /nfs/dbraw/zinc/81/05/09/656810509.db2.gz KGNCYWDLHAGBJE-ZJUUUORDSA-N 2 2 277.390 -1.325 20 0 CAADLP C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000923620634 656810544 /nfs/dbraw/zinc/81/05/44/656810544.db2.gz KGNCYWDLHAGBJE-UWVGGRQHSA-N 2 2 277.390 -1.325 20 0 CAADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923641975 656811438 /nfs/dbraw/zinc/81/14/38/656811438.db2.gz BMLYDOKIZLJMKD-JTQLQIEISA-N 2 2 285.373 -1.332 20 0 CAADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000923645186 656812524 /nfs/dbraw/zinc/81/25/24/656812524.db2.gz RAUDOHLNYIAMOR-QWRGUYRKSA-N 2 2 290.389 -1.801 20 0 CAADLP O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)N1CC[NH2+]CC1 ZINC000923646426 656812680 /nfs/dbraw/zinc/81/26/80/656812680.db2.gz RTKVBRALEBKZFS-VIFPVBQESA-N 2 2 298.359 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926281323 656820833 /nfs/dbraw/zinc/82/08/33/656820833.db2.gz NNHVYUFIQCQJAX-AWEZNQCLSA-N 2 2 298.387 -1.537 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000926420976 656822643 /nfs/dbraw/zinc/82/26/43/656822643.db2.gz UXCGMEOEQPMABL-GRYCIOLGSA-N 2 2 298.387 -1.683 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926422592 656822929 /nfs/dbraw/zinc/82/29/29/656822929.db2.gz XPOANIBOVAHGKZ-NWDGAFQWSA-N 2 2 280.372 -1.172 20 0 CAADLP C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259051 656828831 /nfs/dbraw/zinc/82/88/31/656828831.db2.gz OLWSPUCSQALTPR-MNOVXSKESA-N 2 2 259.350 -1.566 20 0 CAADLP C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259053 656829270 /nfs/dbraw/zinc/82/92/70/656829270.db2.gz OLWSPUCSQALTPR-WDEREUQCSA-N 2 2 259.350 -1.566 20 0 CAADLP C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259050 656829427 /nfs/dbraw/zinc/82/94/27/656829427.db2.gz OLWSPUCSQALTPR-GHMZBOCLSA-N 2 2 259.350 -1.566 20 0 CAADLP C[C@@H](O)[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929512356 656830848 /nfs/dbraw/zinc/83/08/48/656830848.db2.gz ACBHOYTXSMDCPS-CHWSQXEVSA-N 2 2 285.388 -1.032 20 0 CAADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929514052 656831370 /nfs/dbraw/zinc/83/13/70/656831370.db2.gz YPTMGHPYXQZLLI-GFCCVEGCSA-N 2 2 271.361 -1.420 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929848635 656833600 /nfs/dbraw/zinc/83/36/00/656833600.db2.gz OWVKBVIGGXRJDV-NEPJUHHUSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CO)CC1 ZINC000929848635 656833602 /nfs/dbraw/zinc/83/36/02/656833602.db2.gz OWVKBVIGGXRJDV-NEPJUHHUSA-N 2 2 271.361 -1.422 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000930008247 656835278 /nfs/dbraw/zinc/83/52/78/656835278.db2.gz ATKRWMMWPHEVAQ-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000930008247 656835281 /nfs/dbraw/zinc/83/52/81/656835281.db2.gz ATKRWMMWPHEVAQ-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000930008247 656835286 /nfs/dbraw/zinc/83/52/86/656835286.db2.gz ATKRWMMWPHEVAQ-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000930008247 656835287 /nfs/dbraw/zinc/83/52/87/656835287.db2.gz ATKRWMMWPHEVAQ-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C2(O)CCC2)CC1=O ZINC000930850871 656842379 /nfs/dbraw/zinc/84/23/79/656842379.db2.gz VGVNMMRSCABTNU-GFCCVEGCSA-N 2 2 285.388 -1.032 20 0 CAADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000931401497 656845676 /nfs/dbraw/zinc/84/56/76/656845676.db2.gz LBAWZUZEVVVJHG-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000931401497 656845681 /nfs/dbraw/zinc/84/56/81/656845681.db2.gz LBAWZUZEVVVJHG-ZDUSSCGKSA-N 2 2 284.404 -1.241 20 0 CAADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000931401495 656845771 /nfs/dbraw/zinc/84/57/71/656845771.db2.gz LBAWZUZEVVVJHG-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000931401495 656845773 /nfs/dbraw/zinc/84/57/73/656845773.db2.gz LBAWZUZEVVVJHG-CYBMUJFWSA-N 2 2 284.404 -1.241 20 0 CAADLP C[C@H](CNC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000931697303 656847862 /nfs/dbraw/zinc/84/78/62/656847862.db2.gz GTCFRPCSAYPCKC-SQLGEJSKSA-N 2 2 295.383 -1.376 20 0 CAADLP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000931697303 656847865 /nfs/dbraw/zinc/84/78/65/656847865.db2.gz GTCFRPCSAYPCKC-SQLGEJSKSA-N 2 2 295.383 -1.376 20 0 CAADLP C[C@H](CNC(=O)C[NH+]1C[C@@H]2C[C@]2(O)C1)[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000931697303 656847867 /nfs/dbraw/zinc/84/78/67/656847867.db2.gz GTCFRPCSAYPCKC-SQLGEJSKSA-N 2 2 295.383 -1.376 20 0 CAADLP C[C@H](CNC(=O)C[NH+]1C[C@@H]2C[C@]2(O)C1)[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000931697303 656847868 /nfs/dbraw/zinc/84/78/68/656847868.db2.gz GTCFRPCSAYPCKC-SQLGEJSKSA-N 2 2 295.383 -1.376 20 0 CAADLP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[NH+](CCO)CC1 ZINC000949380303 656877528 /nfs/dbraw/zinc/87/75/28/656877528.db2.gz DTQBOPXGCZENCC-JVWICGRDSA-N 2 2 295.383 -1.014 20 0 CAADLP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[NH+](CCO)CC1 ZINC000949380303 656877532 /nfs/dbraw/zinc/87/75/32/656877532.db2.gz DTQBOPXGCZENCC-JVWICGRDSA-N 2 2 295.383 -1.014 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)O1 ZINC000960527737 656997118 /nfs/dbraw/zinc/99/71/18/656997118.db2.gz OQAZEASVRBXJEI-HMUNZLOLSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)O1 ZINC000960527737 656997135 /nfs/dbraw/zinc/99/71/35/656997135.db2.gz OQAZEASVRBXJEI-HMUNZLOLSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)O1 ZINC000960527737 656997148 /nfs/dbraw/zinc/99/71/48/656997148.db2.gz OQAZEASVRBXJEI-HMUNZLOLSA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)O1 ZINC000960527737 656997163 /nfs/dbraw/zinc/99/71/63/656997163.db2.gz OQAZEASVRBXJEI-HMUNZLOLSA-N 2 2 296.371 -1.763 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961887831 657013084 /nfs/dbraw/zinc/01/30/84/657013084.db2.gz LRJIUEFVUTUEBH-IAZYJMLFSA-N 2 2 250.302 -1.009 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961887831 657013092 /nfs/dbraw/zinc/01/30/92/657013092.db2.gz LRJIUEFVUTUEBH-IAZYJMLFSA-N 2 2 250.302 -1.009 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000961896289 657013344 /nfs/dbraw/zinc/01/33/44/657013344.db2.gz STNLMYAELZDBIF-XZUYRWCXSA-N 2 2 289.339 -1.113 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000961896289 657013350 /nfs/dbraw/zinc/01/33/50/657013350.db2.gz STNLMYAELZDBIF-XZUYRWCXSA-N 2 2 289.339 -1.113 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000963017762 657024571 /nfs/dbraw/zinc/02/45/71/657024571.db2.gz JYZFIZCXNVRVLL-XZUYRWCXSA-N 2 2 289.339 -1.182 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000963017762 657024578 /nfs/dbraw/zinc/02/45/78/657024578.db2.gz JYZFIZCXNVRVLL-XZUYRWCXSA-N 2 2 289.339 -1.182 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001010428947 657090570 /nfs/dbraw/zinc/09/05/70/657090570.db2.gz RYTNTIUSUZOJDD-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001010428947 657090579 /nfs/dbraw/zinc/09/05/79/657090579.db2.gz RYTNTIUSUZOJDD-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001010428947 657090591 /nfs/dbraw/zinc/09/05/91/657090591.db2.gz RYTNTIUSUZOJDD-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001010428947 657090597 /nfs/dbraw/zinc/09/05/97/657090597.db2.gz RYTNTIUSUZOJDD-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001010428942 657091473 /nfs/dbraw/zinc/09/14/73/657091473.db2.gz RYTNTIUSUZOJDD-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001010428942 657091481 /nfs/dbraw/zinc/09/14/81/657091481.db2.gz RYTNTIUSUZOJDD-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCO)C2)C1 ZINC001010428942 657091489 /nfs/dbraw/zinc/09/14/89/657091489.db2.gz RYTNTIUSUZOJDD-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC001010428942 657091492 /nfs/dbraw/zinc/09/14/92/657091492.db2.gz RYTNTIUSUZOJDD-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001010426298 657091610 /nfs/dbraw/zinc/09/16/10/657091610.db2.gz HDTFAHBFPKHOMA-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001010426298 657091613 /nfs/dbraw/zinc/09/16/13/657091613.db2.gz HDTFAHBFPKHOMA-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001010426298 657091621 /nfs/dbraw/zinc/09/16/21/657091621.db2.gz HDTFAHBFPKHOMA-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001010426298 657091627 /nfs/dbraw/zinc/09/16/27/657091627.db2.gz HDTFAHBFPKHOMA-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002700 657196804 /nfs/dbraw/zinc/19/68/04/657196804.db2.gz WZCOGQYFUXLPEL-JTQLQIEISA-N 2 2 266.345 -1.242 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002700 657196814 /nfs/dbraw/zinc/19/68/14/657196814.db2.gz WZCOGQYFUXLPEL-JTQLQIEISA-N 2 2 266.345 -1.242 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019707470 657278525 /nfs/dbraw/zinc/27/85/25/657278525.db2.gz GKWVQUGMTLDQMP-VIFPVBQESA-N 2 2 265.317 -1.064 20 0 CAADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001019867825 657281694 /nfs/dbraw/zinc/28/16/94/657281694.db2.gz MBYNPCQSQHEMCC-ZJUUUORDSA-N 2 2 265.317 -1.053 20 0 CAADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868450 657282034 /nfs/dbraw/zinc/28/20/34/657282034.db2.gz FKTHJHLBPPIQMN-VIFPVBQESA-N 2 2 251.290 -1.441 20 0 CAADLP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CCO)C1 ZINC001043392732 782364760 /nfs/dbraw/zinc/36/47/60/782364760.db2.gz WWNHDSDSPJIGTH-QRJNDHJOSA-N 2 2 295.383 -1.016 20 0 CAADLP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CCO)C1 ZINC001043392732 782364768 /nfs/dbraw/zinc/36/47/68/782364768.db2.gz WWNHDSDSPJIGTH-QRJNDHJOSA-N 2 2 295.383 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221124 782434015 /nfs/dbraw/zinc/43/40/15/782434015.db2.gz XIJSLQSPJGWFTR-AAEUAGOBSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221124 782434019 /nfs/dbraw/zinc/43/40/19/782434019.db2.gz XIJSLQSPJGWFTR-AAEUAGOBSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046221124 782434022 /nfs/dbraw/zinc/43/40/22/782434022.db2.gz XIJSLQSPJGWFTR-AAEUAGOBSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046221124 782434025 /nfs/dbraw/zinc/43/40/25/782434025.db2.gz XIJSLQSPJGWFTR-AAEUAGOBSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334194 782462725 /nfs/dbraw/zinc/46/27/25/782462725.db2.gz ZUNFRUAYDADZBJ-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334194 782462751 /nfs/dbraw/zinc/46/27/51/782462751.db2.gz ZUNFRUAYDADZBJ-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047334194 782462756 /nfs/dbraw/zinc/46/27/56/782462756.db2.gz ZUNFRUAYDADZBJ-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047334194 782462761 /nfs/dbraw/zinc/46/27/61/782462761.db2.gz ZUNFRUAYDADZBJ-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545341 782492258 /nfs/dbraw/zinc/49/22/58/782492258.db2.gz QZLRJKBYLTXWNI-USWWRNFRSA-N 2 2 282.344 -1.164 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545341 782492267 /nfs/dbraw/zinc/49/22/67/782492267.db2.gz QZLRJKBYLTXWNI-USWWRNFRSA-N 2 2 282.344 -1.164 20 0 CAADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047597939 782498193 /nfs/dbraw/zinc/49/81/93/782498193.db2.gz NTJJSTQJRPYKMS-RYUDHWBXSA-N 2 2 282.344 -1.542 20 0 CAADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047597939 782498200 /nfs/dbraw/zinc/49/82/00/782498200.db2.gz NTJJSTQJRPYKMS-RYUDHWBXSA-N 2 2 282.344 -1.542 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047624394 782501393 /nfs/dbraw/zinc/50/13/93/782501393.db2.gz IRDMGSXTKUFBIU-RYUDHWBXSA-N 2 2 282.344 -1.313 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047627909 782499399 /nfs/dbraw/zinc/49/93/99/782499399.db2.gz ZKKRGERCJJNEEN-WOPDTQHZSA-N 2 2 298.387 -1.812 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047627909 782499404 /nfs/dbraw/zinc/49/94/04/782499404.db2.gz ZKKRGERCJJNEEN-WOPDTQHZSA-N 2 2 298.387 -1.812 20 0 CAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001047627909 782499414 /nfs/dbraw/zinc/49/94/14/782499414.db2.gz ZKKRGERCJJNEEN-WOPDTQHZSA-N 2 2 298.387 -1.812 20 0 CAADLP CNC(=O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001047627909 782499422 /nfs/dbraw/zinc/49/94/22/782499422.db2.gz ZKKRGERCJJNEEN-WOPDTQHZSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047646852 782502330 /nfs/dbraw/zinc/50/23/30/782502330.db2.gz MUYMQDFOQSYQLF-QWRGUYRKSA-N 2 2 268.317 -1.621 20 0 CAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047646852 782502334 /nfs/dbraw/zinc/50/23/34/782502334.db2.gz MUYMQDFOQSYQLF-QWRGUYRKSA-N 2 2 268.317 -1.621 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCO ZINC001133255104 776774175 /nfs/dbraw/zinc/77/41/75/776774175.db2.gz JOJYPDPSRNCVEA-NSHDSACASA-N 2 2 283.332 -1.845 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCO ZINC001133255104 776774179 /nfs/dbraw/zinc/77/41/79/776774179.db2.gz JOJYPDPSRNCVEA-NSHDSACASA-N 2 2 283.332 -1.845 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(N)=O ZINC001133254657 776774686 /nfs/dbraw/zinc/77/46/86/776774686.db2.gz DXOGIRYFEFUUFH-JTQLQIEISA-N 2 2 296.331 -2.352 20 0 CAADLP COCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133254427 776774794 /nfs/dbraw/zinc/77/47/94/776774794.db2.gz BHKZKXZZVBLCBN-LBPRGKRZSA-N 2 2 297.359 -1.191 20 0 CAADLP COCC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133254427 776774798 /nfs/dbraw/zinc/77/47/98/776774798.db2.gz BHKZKXZZVBLCBN-LBPRGKRZSA-N 2 2 297.359 -1.191 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCNCC[NH2+]CC1 ZINC001120595743 779642869 /nfs/dbraw/zinc/64/28/69/779642869.db2.gz IZLWGDYVWYASFE-CYBMUJFWSA-N 2 2 298.435 -1.563 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001122240757 779661928 /nfs/dbraw/zinc/66/19/28/779661928.db2.gz YPOJGWOGJXETJM-VIFPVBQESA-N 2 2 256.306 -1.366 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001122238956 779662400 /nfs/dbraw/zinc/66/24/00/779662400.db2.gz KTWHBPHXQNQMBC-LLVKDONJSA-N 3 2 256.350 -1.486 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC001122224569 779662532 /nfs/dbraw/zinc/66/25/32/779662532.db2.gz MRMQVKFANGBHEJ-KXUCPTDWSA-N 2 2 254.334 -1.469 20 0 CAADLP CN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[N@H+](C)CC1 ZINC001122378555 779667024 /nfs/dbraw/zinc/66/70/24/779667024.db2.gz XSRNEOWFUSNLQA-LLVKDONJSA-N 2 2 272.393 -1.210 20 0 CAADLP CN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC[N@@H+](C)CC1 ZINC001122378555 779667027 /nfs/dbraw/zinc/66/70/27/779667027.db2.gz XSRNEOWFUSNLQA-LLVKDONJSA-N 2 2 272.393 -1.210 20 0 CAADLP CN(C)S(=O)(=O)N1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001238988762 780527010 /nfs/dbraw/zinc/52/70/10/780527010.db2.gz MHXDMRYKCLLXRE-UHFFFAOYSA-N 2 2 262.379 -1.180 20 0 CAADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+][C@@H](CO)C1 ZINC001239087054 780530167 /nfs/dbraw/zinc/53/01/67/780530167.db2.gz GRVAWSIVDQRIRT-LLVKDONJSA-N 2 2 277.390 -1.418 20 0 CAADLP CCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438788 780535823 /nfs/dbraw/zinc/53/58/23/780535823.db2.gz OVHNVEADZGSUON-UHFFFAOYSA-N 2 2 259.423 -1.035 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246617322 780558657 /nfs/dbraw/zinc/55/86/57/780558657.db2.gz IWWAKAMSWKGIQW-KWBADKCTSA-N 2 2 282.344 -1.946 20 0 CAADLP COC(=O)[C@H]1C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C[NH2+]1 ZINC001246616838 780558799 /nfs/dbraw/zinc/55/87/99/780558799.db2.gz FMBSQTOXSWZEHX-XQHKEYJVSA-N 3 2 282.388 -1.084 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC(=O)NC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246617321 780558865 /nfs/dbraw/zinc/55/88/65/780558865.db2.gz IWWAKAMSWKGIQW-GBIKHYSHSA-N 2 2 282.344 -1.946 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601129 780558989 /nfs/dbraw/zinc/55/89/89/780558989.db2.gz GWKQNTLTTFMTDT-UKRRQHHQSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@H+]1CCOC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601129 780558995 /nfs/dbraw/zinc/55/89/95/780558995.db2.gz GWKQNTLTTFMTDT-UKRRQHHQSA-N 3 2 296.415 -1.229 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC(=O)NC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246617324 780559011 /nfs/dbraw/zinc/55/90/11/780559011.db2.gz IWWAKAMSWKGIQW-NRUUGDAUSA-N 2 2 282.344 -1.946 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CCCO)CC2)C[NH2+]1 ZINC001246607722 780559075 /nfs/dbraw/zinc/55/90/75/780559075.db2.gz XEEATVIMHUXZNO-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C[NH2+]1 ZINC001246616835 780559248 /nfs/dbraw/zinc/55/92/48/780559248.db2.gz FMBSQTOXSWZEHX-VOAKCMCISA-N 3 2 282.388 -1.084 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601132 780559269 /nfs/dbraw/zinc/55/92/69/780559269.db2.gz GWKQNTLTTFMTDT-ZFWWWQNUSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246601132 780559275 /nfs/dbraw/zinc/55/92/75/780559275.db2.gz GWKQNTLTTFMTDT-ZFWWWQNUSA-N 3 2 296.415 -1.229 20 0 CAADLP CS(=O)(=O)N1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001257224752 780628059 /nfs/dbraw/zinc/62/80/59/780628059.db2.gz FOADQNMJVISELH-UHFFFAOYSA-N 2 2 265.379 -1.337 20 0 CAADLP CS(=O)(=O)N1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001257224752 780628063 /nfs/dbraw/zinc/62/80/63/780628063.db2.gz FOADQNMJVISELH-UHFFFAOYSA-N 2 2 265.379 -1.337 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001221190517 780405207 /nfs/dbraw/zinc/40/52/07/780405207.db2.gz QLTXCNCGKSAPOQ-CIUDSAMLSA-N 3 2 258.322 -1.928 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221187647 780405611 /nfs/dbraw/zinc/40/56/11/780405611.db2.gz DCIIQYRDQJFAKS-XWLWVQCSSA-N 3 2 284.360 -1.667 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CCC[NH3+])C(=O)OC ZINC001221187630 780406000 /nfs/dbraw/zinc/40/60/00/780406000.db2.gz CIQBWINLLHXYLO-YUMQZZPRSA-N 2 2 275.305 -1.727 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221188260 780406035 /nfs/dbraw/zinc/40/60/35/780406035.db2.gz QWXYFOYPFRZXOM-VIFPVBQESA-N 3 2 272.349 -1.536 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221187581 780406264 /nfs/dbraw/zinc/40/62/64/780406264.db2.gz ANXNJWBHAFESMR-DNJQJEMRSA-N 3 2 284.360 -1.395 20 0 CAADLP C[C@H]([NH3+])c1ncc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)s1 ZINC001221264871 780409798 /nfs/dbraw/zinc/40/97/98/780409798.db2.gz BOINPDHLJZVTJG-IZJRFANQSA-N 2 2 297.388 -1.705 20 0 CAADLP C[C@H]([NH3+])c1ncc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)s1 ZINC001221264870 780409874 /nfs/dbraw/zinc/40/98/74/780409874.db2.gz BOINPDHLJZVTJG-DHJWIAQBSA-N 2 2 297.388 -1.705 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221264929 780409924 /nfs/dbraw/zinc/40/99/24/780409924.db2.gz CNSANRGAYUQAOJ-IIZKGIRYSA-N 2 2 290.393 -3.399 20 0 CAADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221264930 780410662 /nfs/dbraw/zinc/41/06/62/780410662.db2.gz CNSANRGAYUQAOJ-OORCTBAESA-N 2 2 290.393 -3.399 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC001221278611 780412705 /nfs/dbraw/zinc/41/27/05/780412705.db2.gz YUJZWNYZXLTPKI-WDSKDSINSA-N 2 2 268.239 -1.672 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)NCC(F)(F)F)C1 ZINC001221278638 780412831 /nfs/dbraw/zinc/41/28/31/780412831.db2.gz ZUTHZLJZFPDIOS-RITPCOANSA-N 2 2 268.239 -1.530 20 0 CAADLP COCCn1c[nH+]cc1CNS(=O)(=O)CC[NH3+] ZINC001238525127 780518469 /nfs/dbraw/zinc/51/84/69/780518469.db2.gz RVIFFCAIJKOIBN-UHFFFAOYSA-N 2 2 262.335 -1.092 20 0 CAADLP [NH3+]CCS(=O)(=O)NCC1CC[NH+](C2COC2)CC1 ZINC001238886539 780524670 /nfs/dbraw/zinc/52/46/70/780524670.db2.gz YPTBQUOZPVIFFL-UHFFFAOYSA-N 2 2 277.390 -1.025 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001262162205 780700656 /nfs/dbraw/zinc/70/06/56/780700656.db2.gz HLMTVNPUSWSLSQ-BDAKNGLRSA-N 2 2 252.322 -1.292 20 0 CAADLP C[C@H]([C@H](C)NC(=O)CNCC[NH3+])[NH+]1CCOCC1 ZINC001263099705 780719300 /nfs/dbraw/zinc/71/93/00/780719300.db2.gz RGGCGLDVKJGVBP-WDEREUQCSA-N 2 2 258.366 -1.240 20 0 CAADLP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001279838260 780778153 /nfs/dbraw/zinc/77/81/53/780778153.db2.gz JHNIJZBWVUCBDU-SNVBAGLBSA-N 2 2 270.333 -1.257 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275702 782713636 /nfs/dbraw/zinc/71/36/36/782713636.db2.gz QFAJZZRBZZEBLW-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)CC2)C1 ZINC001052275702 782713644 /nfs/dbraw/zinc/71/36/44/782713644.db2.gz QFAJZZRBZZEBLW-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)C1 ZINC001052275702 782713651 /nfs/dbraw/zinc/71/36/51/782713651.db2.gz QFAJZZRBZZEBLW-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC001052275702 782713660 /nfs/dbraw/zinc/71/36/60/782713660.db2.gz QFAJZZRBZZEBLW-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890221 782800163 /nfs/dbraw/zinc/80/01/63/782800163.db2.gz ACQMQCZUBBKOIF-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890221 782800170 /nfs/dbraw/zinc/80/01/70/782800170.db2.gz ACQMQCZUBBKOIF-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073890221 782800222 /nfs/dbraw/zinc/80/02/22/782800222.db2.gz ACQMQCZUBBKOIF-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073890221 782800228 /nfs/dbraw/zinc/80/02/28/782800228.db2.gz ACQMQCZUBBKOIF-NEPJUHHUSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890232 782800517 /nfs/dbraw/zinc/80/05/17/782800517.db2.gz ACQMQCZUBBKOIF-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890232 782800524 /nfs/dbraw/zinc/80/05/24/782800524.db2.gz ACQMQCZUBBKOIF-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073890232 782800526 /nfs/dbraw/zinc/80/05/26/782800526.db2.gz ACQMQCZUBBKOIF-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073890232 782800531 /nfs/dbraw/zinc/80/05/31/782800531.db2.gz ACQMQCZUBBKOIF-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099871688 782841658 /nfs/dbraw/zinc/84/16/58/782841658.db2.gz JGUYKBCHXSGAGO-GHMZBOCLSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099871688 782841660 /nfs/dbraw/zinc/84/16/60/782841660.db2.gz JGUYKBCHXSGAGO-GHMZBOCLSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099974982 782844365 /nfs/dbraw/zinc/84/43/65/782844365.db2.gz XDTTXFNXRBPWDE-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099974982 782844368 /nfs/dbraw/zinc/84/43/68/782844368.db2.gz XDTTXFNXRBPWDE-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099928440 782844427 /nfs/dbraw/zinc/84/44/27/782844427.db2.gz KSBBAZDTFQYKHT-RYUDHWBXSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099928440 782844432 /nfs/dbraw/zinc/84/44/32/782844432.db2.gz KSBBAZDTFQYKHT-RYUDHWBXSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099928438 782844869 /nfs/dbraw/zinc/84/48/69/782844869.db2.gz KSBBAZDTFQYKHT-NEPJUHHUSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099928438 782844874 /nfs/dbraw/zinc/84/48/74/782844874.db2.gz KSBBAZDTFQYKHT-NEPJUHHUSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099928439 782844903 /nfs/dbraw/zinc/84/49/03/782844903.db2.gz KSBBAZDTFQYKHT-NWDGAFQWSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099928439 782844907 /nfs/dbraw/zinc/84/49/07/782844907.db2.gz KSBBAZDTFQYKHT-NWDGAFQWSA-N 2 2 296.371 -1.104 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099971127 782845118 /nfs/dbraw/zinc/84/51/18/782845118.db2.gz AWCAOZSAUNFQCD-GHMZBOCLSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001099971127 782845124 /nfs/dbraw/zinc/84/51/24/782845124.db2.gz AWCAOZSAUNFQCD-GHMZBOCLSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099971129 782845387 /nfs/dbraw/zinc/84/53/87/782845387.db2.gz AWCAOZSAUNFQCD-QWRGUYRKSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC001099971129 782845392 /nfs/dbraw/zinc/84/53/92/782845392.db2.gz AWCAOZSAUNFQCD-QWRGUYRKSA-N 2 2 298.387 -1.635 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099940345 782846047 /nfs/dbraw/zinc/84/60/47/782846047.db2.gz UAJOWRHPNLHKPU-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099940345 782846055 /nfs/dbraw/zinc/84/60/55/782846055.db2.gz UAJOWRHPNLHKPU-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100048522 782849419 /nfs/dbraw/zinc/84/94/19/782849419.db2.gz MXVFEHVNYRQDFA-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100048522 782849424 /nfs/dbraw/zinc/84/94/24/782849424.db2.gz MXVFEHVNYRQDFA-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100082942 782850854 /nfs/dbraw/zinc/85/08/54/782850854.db2.gz KPJSEQMPRQNKRP-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100082942 782850860 /nfs/dbraw/zinc/85/08/60/782850860.db2.gz KPJSEQMPRQNKRP-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100082942 782850866 /nfs/dbraw/zinc/85/08/66/782850866.db2.gz KPJSEQMPRQNKRP-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100082942 782850872 /nfs/dbraw/zinc/85/08/72/782850872.db2.gz KPJSEQMPRQNKRP-QWRGUYRKSA-N 2 2 286.376 -1.635 20 0 CAADLP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979771 782877604 /nfs/dbraw/zinc/87/76/04/782877604.db2.gz DNLRCGUPYPADQO-YABSGUDNSA-N 2 2 296.371 -1.760 20 0 CAADLP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979771 782877610 /nfs/dbraw/zinc/87/76/10/782877610.db2.gz DNLRCGUPYPADQO-YABSGUDNSA-N 2 2 296.371 -1.760 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046369 782886129 /nfs/dbraw/zinc/88/61/29/782886129.db2.gz GHQINSOVTZVGJQ-ZIAGYGMSSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001116046369 782886134 /nfs/dbraw/zinc/88/61/34/782886134.db2.gz GHQINSOVTZVGJQ-ZIAGYGMSSA-N 2 2 297.447 -1.016 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161268828 775104499 /nfs/dbraw/zinc/10/44/99/775104499.db2.gz MLJVISJLEXIPTR-QMTHXVAHSA-N 2 2 295.387 -1.142 20 0 CAADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161288710 775106818 /nfs/dbraw/zinc/10/68/18/775106818.db2.gz KLMGSEWJWFHWGE-MXWKQRLJSA-N 2 2 283.376 -1.062 20 0 CAADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc[nH+]1 ZINC001167089833 775115450 /nfs/dbraw/zinc/11/54/50/775115450.db2.gz PLKCDXDNEKRACA-IVZWLZJFSA-N 2 2 292.343 -1.561 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167349572 775146690 /nfs/dbraw/zinc/14/66/90/775146690.db2.gz BARSALUWTYKTDF-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167349573 775147524 /nfs/dbraw/zinc/14/75/24/775147524.db2.gz BARSALUWTYKTDF-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161371947 775179373 /nfs/dbraw/zinc/17/93/73/775179373.db2.gz HQQCSRXQQRETNV-DYNIEEOBSA-N 2 2 297.355 -1.273 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083248585 775208242 /nfs/dbraw/zinc/20/82/42/775208242.db2.gz NZZHDZKWGVDLCH-QWHCGFSZSA-N 2 2 294.355 -1.134 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083248585 775208247 /nfs/dbraw/zinc/20/82/47/775208247.db2.gz NZZHDZKWGVDLCH-QWHCGFSZSA-N 2 2 294.355 -1.134 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038143372 775230400 /nfs/dbraw/zinc/23/04/00/775230400.db2.gz SVVDGOKMTRMLLF-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001038143372 775230410 /nfs/dbraw/zinc/23/04/10/775230410.db2.gz SVVDGOKMTRMLLF-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001038143372 775230420 /nfs/dbraw/zinc/23/04/20/775230420.db2.gz SVVDGOKMTRMLLF-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001038143372 775230425 /nfs/dbraw/zinc/23/04/25/775230425.db2.gz SVVDGOKMTRMLLF-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445467 775245661 /nfs/dbraw/zinc/24/56/61/775245661.db2.gz AYAQCFRLCBCYDT-SECBINFHSA-N 2 2 293.327 -1.195 20 0 CAADLP O=C(N[C@H]1COCC[C@@H]1O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220181195 775293431 /nfs/dbraw/zinc/29/34/31/775293431.db2.gz DNHLVUXAGLPONF-WDCWCFNPSA-N 2 2 255.318 -1.796 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191885 775294959 /nfs/dbraw/zinc/29/49/59/775294959.db2.gz RZIAYPFFNJGOMG-WCQGTBRESA-N 2 2 270.377 -1.376 20 0 CAADLP [NH3+]C1(C(=O)N[C@@H]2COCCC23OCCO3)CC[NH2+]CC1 ZINC001220172963 775295114 /nfs/dbraw/zinc/29/51/14/775295114.db2.gz FXTHTAFVXIALSQ-SNVBAGLBSA-N 2 2 285.344 -1.285 20 0 CAADLP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220252225 775295961 /nfs/dbraw/zinc/29/59/61/775295961.db2.gz RSNHTBSKPRLSQC-IUCAKERBSA-N 2 2 267.337 -1.330 20 0 CAADLP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220252225 775295969 /nfs/dbraw/zinc/29/59/69/775295969.db2.gz RSNHTBSKPRLSQC-IUCAKERBSA-N 2 2 267.337 -1.330 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1nncs1 ZINC001221015490 775299343 /nfs/dbraw/zinc/29/93/43/775299343.db2.gz JISDQUGQYNNWAY-SNVBAGLBSA-N 2 2 298.416 -1.053 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001161531871 775357436 /nfs/dbraw/zinc/35/74/36/775357436.db2.gz KZIURHCAYNJDBS-GFCCVEGCSA-N 3 2 281.404 -1.489 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C1 ZINC001161531874 775357617 /nfs/dbraw/zinc/35/76/17/775357617.db2.gz KZIURHCAYNJDBS-LBPRGKRZSA-N 3 2 281.404 -1.489 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001268314855 775400361 /nfs/dbraw/zinc/40/03/61/775400361.db2.gz MCNRDBSYEOADDE-NWDGAFQWSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268324725 775403142 /nfs/dbraw/zinc/40/31/42/775403142.db2.gz PUOMMHUXRPOABK-SCZZXKLOSA-N 2 2 256.306 -1.600 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001268325550 775405593 /nfs/dbraw/zinc/40/55/93/775405593.db2.gz FSCJAMORSHDOJY-JTQLQIEISA-N 2 2 293.331 -1.689 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001268339821 775408463 /nfs/dbraw/zinc/40/84/63/775408463.db2.gz WPSLPUATHQYAHM-NSHDSACASA-N 2 2 293.331 -1.759 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161237780 775412541 /nfs/dbraw/zinc/41/25/41/775412541.db2.gz OIGICBVDXZOXAP-VHSXEESVSA-N 2 2 270.333 -2.137 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161237780 775412550 /nfs/dbraw/zinc/41/25/50/775412550.db2.gz OIGICBVDXZOXAP-VHSXEESVSA-N 2 2 270.333 -2.137 20 0 CAADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268410348 775412612 /nfs/dbraw/zinc/41/26/12/775412612.db2.gz BJENRWCJLCZFHT-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161237778 775412781 /nfs/dbraw/zinc/41/27/81/775412781.db2.gz OIGICBVDXZOXAP-UWVGGRQHSA-N 2 2 270.333 -2.137 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161237778 775412785 /nfs/dbraw/zinc/41/27/85/775412785.db2.gz OIGICBVDXZOXAP-UWVGGRQHSA-N 2 2 270.333 -2.137 20 0 CAADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161239447 775415382 /nfs/dbraw/zinc/41/53/82/775415382.db2.gz LTOSQSBMTNEXLM-JLLWLGSASA-N 3 2 256.325 -1.163 20 0 CAADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161239448 775415839 /nfs/dbraw/zinc/41/58/39/775415839.db2.gz LTOSQSBMTNEXLM-MVWJERBFSA-N 3 2 256.325 -1.163 20 0 CAADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161239449 775416074 /nfs/dbraw/zinc/41/60/74/775416074.db2.gz LTOSQSBMTNEXLM-WCQGTBRESA-N 3 2 256.325 -1.163 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)C1 ZINC001268485280 775421457 /nfs/dbraw/zinc/42/14/57/775421457.db2.gz PWZYVTQCUWHINQ-LLVKDONJSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)C1 ZINC001268485280 775421467 /nfs/dbraw/zinc/42/14/67/775421467.db2.gz PWZYVTQCUWHINQ-LLVKDONJSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCOCCO)C2)C1 ZINC001268485284 775422814 /nfs/dbraw/zinc/42/28/14/775422814.db2.gz PWZYVTQCUWHINQ-NSHDSACASA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCOCCO)C2)C1 ZINC001268485284 775422823 /nfs/dbraw/zinc/42/28/23/775422823.db2.gz PWZYVTQCUWHINQ-NSHDSACASA-N 2 2 271.361 -1.253 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385490 775455327 /nfs/dbraw/zinc/45/53/27/775455327.db2.gz PJBAFPFBBAWOPB-WOPDTQHZSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385490 775455334 /nfs/dbraw/zinc/45/53/34/775455334.db2.gz PJBAFPFBBAWOPB-WOPDTQHZSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385490 775455336 /nfs/dbraw/zinc/45/53/36/775455336.db2.gz PJBAFPFBBAWOPB-WOPDTQHZSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385490 775455341 /nfs/dbraw/zinc/45/53/41/775455341.db2.gz PJBAFPFBBAWOPB-WOPDTQHZSA-N 2 2 287.360 -1.875 20 0 CAADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385445 775455451 /nfs/dbraw/zinc/45/54/51/775455451.db2.gz OFJBQAIBOHPKPL-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385445 775455456 /nfs/dbraw/zinc/45/54/56/775455456.db2.gz OFJBQAIBOHPKPL-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385445 775455460 /nfs/dbraw/zinc/45/54/60/775455460.db2.gz OFJBQAIBOHPKPL-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385445 775455462 /nfs/dbraw/zinc/45/54/62/775455462.db2.gz OFJBQAIBOHPKPL-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083385559 775457751 /nfs/dbraw/zinc/45/77/51/775457751.db2.gz RMBFALQMJWFMTK-VWYCJHECSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083385559 775457756 /nfs/dbraw/zinc/45/77/56/775457756.db2.gz RMBFALQMJWFMTK-VWYCJHECSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083385559 775457760 /nfs/dbraw/zinc/45/77/60/775457760.db2.gz RMBFALQMJWFMTK-VWYCJHECSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083385559 775457764 /nfs/dbraw/zinc/45/77/64/775457764.db2.gz RMBFALQMJWFMTK-VWYCJHECSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083385767 775458151 /nfs/dbraw/zinc/45/81/51/775458151.db2.gz YKMCXKOUBDVIGB-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083385767 775458157 /nfs/dbraw/zinc/45/81/57/775458157.db2.gz YKMCXKOUBDVIGB-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083385767 775458163 /nfs/dbraw/zinc/45/81/63/775458163.db2.gz YKMCXKOUBDVIGB-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083385767 775458169 /nfs/dbraw/zinc/45/81/69/775458169.db2.gz YKMCXKOUBDVIGB-WOPDTQHZSA-N 2 2 287.360 -2.139 20 0 CAADLP C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268667262 775465487 /nfs/dbraw/zinc/46/54/87/775465487.db2.gz KYFHJNRYAGBBCP-BDAKNGLRSA-N 2 2 293.327 -1.148 20 0 CAADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001268675766 775467272 /nfs/dbraw/zinc/46/72/72/775467272.db2.gz FSXPRUQFIPJTSN-ZJUUUORDSA-N 2 2 265.317 -1.134 20 0 CAADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CCO)CCO)C2 ZINC001269095316 775489641 /nfs/dbraw/zinc/48/96/41/775489641.db2.gz PXVMNAASXMGNKS-NEPJUHHUSA-N 2 2 271.361 -1.565 20 0 CAADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CCO)CCO)C2 ZINC001269095316 775489645 /nfs/dbraw/zinc/48/96/45/775489645.db2.gz PXVMNAASXMGNKS-NEPJUHHUSA-N 2 2 271.361 -1.565 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001284459971 775500990 /nfs/dbraw/zinc/50/09/90/775500990.db2.gz NVZGUMARSCWOJX-JTQLQIEISA-N 2 2 270.333 -1.257 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001126436483 775519187 /nfs/dbraw/zinc/51/91/87/775519187.db2.gz BTWQBRLFPUZKRA-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001126436482 775519310 /nfs/dbraw/zinc/51/93/10/775519310.db2.gz BTWQBRLFPUZKRA-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+][C@H]1CCNC1=O ZINC001126436838 775519723 /nfs/dbraw/zinc/51/97/23/775519723.db2.gz NWVJONJUHJDXQA-VIFPVBQESA-N 2 2 265.317 -1.063 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436489 775519858 /nfs/dbraw/zinc/51/98/58/775519858.db2.gz CGXCESJOONHOKT-UHFFFAOYSA-N 2 2 282.304 -1.757 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001272272880 775520196 /nfs/dbraw/zinc/52/01/96/775520196.db2.gz CZSOWQIKNGYFNE-YFKTTZPYSA-N 2 2 269.345 -1.407 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001272272880 775520207 /nfs/dbraw/zinc/52/02/07/775520207.db2.gz CZSOWQIKNGYFNE-YFKTTZPYSA-N 2 2 269.345 -1.407 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001272272880 775520213 /nfs/dbraw/zinc/52/02/13/775520213.db2.gz CZSOWQIKNGYFNE-YFKTTZPYSA-N 2 2 269.345 -1.407 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001272272880 775520220 /nfs/dbraw/zinc/52/02/20/775520220.db2.gz CZSOWQIKNGYFNE-YFKTTZPYSA-N 2 2 269.345 -1.407 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[NH+](C)C2 ZINC001272273451 775594591 /nfs/dbraw/zinc/59/45/91/775594591.db2.gz LIDLLPSRHGWXOH-USZNOCQGSA-N 2 2 269.345 -1.407 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[NH+](C)C2 ZINC001272273451 775594595 /nfs/dbraw/zinc/59/45/95/775594595.db2.gz LIDLLPSRHGWXOH-USZNOCQGSA-N 2 2 269.345 -1.407 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001272273451 775594597 /nfs/dbraw/zinc/59/45/97/775594597.db2.gz LIDLLPSRHGWXOH-USZNOCQGSA-N 2 2 269.345 -1.407 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@@H+](C)C2 ZINC001272273451 775594600 /nfs/dbraw/zinc/59/46/00/775594600.db2.gz LIDLLPSRHGWXOH-USZNOCQGSA-N 2 2 269.345 -1.407 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522516 775710435 /nfs/dbraw/zinc/71/04/35/775710435.db2.gz KIHKZAMSCQOCND-WOPDTQHZSA-N 2 2 294.355 -1.086 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001083522516 775710444 /nfs/dbraw/zinc/71/04/44/775710444.db2.gz KIHKZAMSCQOCND-WOPDTQHZSA-N 2 2 294.355 -1.086 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076805406 775759566 /nfs/dbraw/zinc/75/95/66/775759566.db2.gz GHNDHFUJETVPLZ-OUAUKWLOSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076805406 775759574 /nfs/dbraw/zinc/75/95/74/775759574.db2.gz GHNDHFUJETVPLZ-OUAUKWLOSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076805406 775759581 /nfs/dbraw/zinc/75/95/81/775759581.db2.gz GHNDHFUJETVPLZ-OUAUKWLOSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076805406 775759588 /nfs/dbraw/zinc/75/95/88/775759588.db2.gz GHNDHFUJETVPLZ-OUAUKWLOSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001076839039 775762819 /nfs/dbraw/zinc/76/28/19/775762819.db2.gz YKMCXKOUBDVIGB-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001076839039 775762825 /nfs/dbraw/zinc/76/28/25/775762825.db2.gz YKMCXKOUBDVIGB-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001076839039 775762836 /nfs/dbraw/zinc/76/28/36/775762836.db2.gz YKMCXKOUBDVIGB-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001076839039 775762841 /nfs/dbraw/zinc/76/28/41/775762841.db2.gz YKMCXKOUBDVIGB-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837124 775763881 /nfs/dbraw/zinc/76/38/81/775763881.db2.gz PJBAFPFBBAWOPB-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837124 775763891 /nfs/dbraw/zinc/76/38/91/775763891.db2.gz PJBAFPFBBAWOPB-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076837124 775763902 /nfs/dbraw/zinc/76/39/02/775763902.db2.gz PJBAFPFBBAWOPB-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076837124 775763909 /nfs/dbraw/zinc/76/39/09/775763909.db2.gz PJBAFPFBBAWOPB-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838696 775764239 /nfs/dbraw/zinc/76/42/39/775764239.db2.gz IXDMPFXXLOFDBF-IJLUTSLNSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838696 775764243 /nfs/dbraw/zinc/76/42/43/775764243.db2.gz IXDMPFXXLOFDBF-IJLUTSLNSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838696 775764246 /nfs/dbraw/zinc/76/42/46/775764246.db2.gz IXDMPFXXLOFDBF-IJLUTSLNSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838696 775764252 /nfs/dbraw/zinc/76/42/52/775764252.db2.gz IXDMPFXXLOFDBF-IJLUTSLNSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838697 775765175 /nfs/dbraw/zinc/76/51/75/775765175.db2.gz IXDMPFXXLOFDBF-UTUOFQBUSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838697 775765186 /nfs/dbraw/zinc/76/51/86/775765186.db2.gz IXDMPFXXLOFDBF-UTUOFQBUSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838697 775765192 /nfs/dbraw/zinc/76/51/92/775765192.db2.gz IXDMPFXXLOFDBF-UTUOFQBUSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838697 775765203 /nfs/dbraw/zinc/76/52/03/775765203.db2.gz IXDMPFXXLOFDBF-UTUOFQBUSA-N 2 2 271.361 -1.113 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)O1 ZINC001083565177 775797761 /nfs/dbraw/zinc/79/77/61/775797761.db2.gz FNNRQLVXHAFNIH-WISYIIOYSA-N 2 2 287.360 -2.141 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)O1 ZINC001083565177 775797768 /nfs/dbraw/zinc/79/77/68/775797768.db2.gz FNNRQLVXHAFNIH-WISYIIOYSA-N 2 2 287.360 -2.141 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)O1 ZINC001083565177 775797774 /nfs/dbraw/zinc/79/77/74/775797774.db2.gz FNNRQLVXHAFNIH-WISYIIOYSA-N 2 2 287.360 -2.141 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)O1 ZINC001083565177 775797780 /nfs/dbraw/zinc/79/77/80/775797780.db2.gz FNNRQLVXHAFNIH-WISYIIOYSA-N 2 2 287.360 -2.141 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077131011 775797967 /nfs/dbraw/zinc/79/79/67/775797967.db2.gz KIHKZAMSCQOCND-GRYCIOLGSA-N 2 2 294.355 -1.086 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001077131011 775797975 /nfs/dbraw/zinc/79/79/75/775797975.db2.gz KIHKZAMSCQOCND-GRYCIOLGSA-N 2 2 294.355 -1.086 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077236247 775806685 /nfs/dbraw/zinc/80/66/85/775806685.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077236247 775806697 /nfs/dbraw/zinc/80/66/97/775806697.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077236247 775806707 /nfs/dbraw/zinc/80/67/07/775806707.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077236247 775806718 /nfs/dbraw/zinc/80/67/18/775806718.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251866 775808477 /nfs/dbraw/zinc/80/84/77/775808477.db2.gz SPBGUVFSLJSSPY-CYZMBNFOSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077251866 775808490 /nfs/dbraw/zinc/80/84/90/775808490.db2.gz SPBGUVFSLJSSPY-CYZMBNFOSA-N 2 2 294.355 -1.401 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083571679 775816761 /nfs/dbraw/zinc/81/67/61/775816761.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083571679 775816774 /nfs/dbraw/zinc/81/67/74/775816774.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083571679 775816779 /nfs/dbraw/zinc/81/67/79/775816779.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083571679 775816788 /nfs/dbraw/zinc/81/67/88/775816788.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583674 775826612 /nfs/dbraw/zinc/82/66/12/775826612.db2.gz NRJWYMNRLWPEBP-RTXFEEFZSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001083583674 775826622 /nfs/dbraw/zinc/82/66/22/775826622.db2.gz NRJWYMNRLWPEBP-RTXFEEFZSA-N 2 2 294.355 -1.401 20 0 CAADLP CC(C)(C(=O)N(CCO)CC[NH2+]CC(N)=O)c1c[nH+]c[nH]1 ZINC001272295273 775890192 /nfs/dbraw/zinc/89/01/92/775890192.db2.gz OEONIUDBXGOENL-UHFFFAOYSA-N 2 2 297.359 -1.417 20 0 CAADLP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001272322595 775893940 /nfs/dbraw/zinc/89/39/40/775893940.db2.gz STOYYFNWCISHKD-LLVKDONJSA-N 2 2 270.333 -1.326 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001272555807 775933462 /nfs/dbraw/zinc/93/34/62/775933462.db2.gz UVLGZPVXDYTBKD-FRRDWIJNSA-N 2 2 282.388 -1.226 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001272555807 775933474 /nfs/dbraw/zinc/93/34/74/775933474.db2.gz UVLGZPVXDYTBKD-FRRDWIJNSA-N 2 2 282.388 -1.226 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001272555807 775933483 /nfs/dbraw/zinc/93/34/83/775933483.db2.gz UVLGZPVXDYTBKD-FRRDWIJNSA-N 2 2 282.388 -1.226 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001272555807 775933494 /nfs/dbraw/zinc/93/34/94/775933494.db2.gz UVLGZPVXDYTBKD-FRRDWIJNSA-N 2 2 282.388 -1.226 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001272567565 775936299 /nfs/dbraw/zinc/93/62/99/775936299.db2.gz RTGYBHLXBMHBAH-QMMMGPOBSA-N 2 2 269.305 -2.187 20 0 CAADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083779507 776013774 /nfs/dbraw/zinc/01/37/74/776013774.db2.gz GAVBPTKEMMQPLL-TUAOUCFPSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1nncn1C ZINC001125220475 776029715 /nfs/dbraw/zinc/02/97/15/776029715.db2.gz HXOGVQANEXITGD-QWRGUYRKSA-N 2 2 296.375 -1.088 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1nncn1C ZINC001125220475 776029720 /nfs/dbraw/zinc/02/97/20/776029720.db2.gz HXOGVQANEXITGD-QWRGUYRKSA-N 2 2 296.375 -1.088 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1nncn1C ZINC001125220469 776031418 /nfs/dbraw/zinc/03/14/18/776031418.db2.gz HXOGVQANEXITGD-GHMZBOCLSA-N 2 2 296.375 -1.088 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1nncn1C ZINC001125220469 776031423 /nfs/dbraw/zinc/03/14/23/776031423.db2.gz HXOGVQANEXITGD-GHMZBOCLSA-N 2 2 296.375 -1.088 20 0 CAADLP CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238839857 776040624 /nfs/dbraw/zinc/04/06/24/776040624.db2.gz LTCABITUPVVYGO-JGVFFNPUSA-N 2 2 265.335 -1.842 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(S(=O)(=O)CC[NH3+])C1 ZINC001239129381 776058449 /nfs/dbraw/zinc/05/84/49/776058449.db2.gz NMEHWIVWLAAMKB-MRVPVSSYSA-N 2 2 251.308 -2.149 20 0 CAADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077675219 776058867 /nfs/dbraw/zinc/05/88/67/776058867.db2.gz GAVBPTKEMMQPLL-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001077675219 776058872 /nfs/dbraw/zinc/05/88/72/776058872.db2.gz GAVBPTKEMMQPLL-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077675219 776058876 /nfs/dbraw/zinc/05/88/76/776058876.db2.gz GAVBPTKEMMQPLL-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077675219 776058881 /nfs/dbraw/zinc/05/88/81/776058881.db2.gz GAVBPTKEMMQPLL-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077685692 776058971 /nfs/dbraw/zinc/05/89/71/776058971.db2.gz YRLKAVSMBCFUPT-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077685692 776058976 /nfs/dbraw/zinc/05/89/76/776058976.db2.gz YRLKAVSMBCFUPT-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077685692 776058980 /nfs/dbraw/zinc/05/89/80/776058980.db2.gz YRLKAVSMBCFUPT-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077685692 776058986 /nfs/dbraw/zinc/05/89/86/776058986.db2.gz YRLKAVSMBCFUPT-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078007612 776111853 /nfs/dbraw/zinc/11/18/53/776111853.db2.gz WAVNYHCTYPXYEH-GHMZBOCLSA-N 2 2 268.317 -1.884 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078007612 776111855 /nfs/dbraw/zinc/11/18/55/776111855.db2.gz WAVNYHCTYPXYEH-GHMZBOCLSA-N 2 2 268.317 -1.884 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078007175 776112450 /nfs/dbraw/zinc/11/24/50/776112450.db2.gz LOKDQFZITWDEHA-VXGBXAGGSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078007175 776112454 /nfs/dbraw/zinc/11/24/54/776112454.db2.gz LOKDQFZITWDEHA-VXGBXAGGSA-N 2 2 282.344 -1.494 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078083165 776116713 /nfs/dbraw/zinc/11/67/13/776116713.db2.gz KOQYFJBMUWRXIW-VXGBXAGGSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078083165 776116719 /nfs/dbraw/zinc/11/67/19/776116719.db2.gz KOQYFJBMUWRXIW-VXGBXAGGSA-N 2 2 282.344 -1.196 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178785 776127719 /nfs/dbraw/zinc/12/77/19/776127719.db2.gz DBFIHQZSXICCKI-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178785 776127726 /nfs/dbraw/zinc/12/77/26/776127726.db2.gz DBFIHQZSXICCKI-IJLUTSLNSA-N 2 2 271.361 -1.376 20 0 CAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174863 776130437 /nfs/dbraw/zinc/13/04/37/776130437.db2.gz UVRYWYBDYCLKMJ-IJLUTSLNSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174863 776130443 /nfs/dbraw/zinc/13/04/43/776130443.db2.gz UVRYWYBDYCLKMJ-IJLUTSLNSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174863 776130445 /nfs/dbraw/zinc/13/04/45/776130445.db2.gz UVRYWYBDYCLKMJ-IJLUTSLNSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174863 776130451 /nfs/dbraw/zinc/13/04/51/776130451.db2.gz UVRYWYBDYCLKMJ-IJLUTSLNSA-N 2 2 298.387 -1.812 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270547 776135638 /nfs/dbraw/zinc/13/56/38/776135638.db2.gz BUMQEGGTDKSPDT-HBNTYKKESA-N 2 2 268.317 -1.575 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270547 776135641 /nfs/dbraw/zinc/13/56/41/776135641.db2.gz BUMQEGGTDKSPDT-HBNTYKKESA-N 2 2 268.317 -1.575 20 0 CAADLP Cn1nc(NC(=[NH2+])N2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC001168736495 776186644 /nfs/dbraw/zinc/18/66/44/776186644.db2.gz HVNHKEDFWCQMPI-UHFFFAOYSA-N 2 2 281.320 -1.927 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@@H](C1)O2 ZINC001273069276 776188916 /nfs/dbraw/zinc/18/89/16/776188916.db2.gz HEOTZJHVQXHVPU-UTUOFQBUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@@H](C1)O2 ZINC001273069276 776188918 /nfs/dbraw/zinc/18/89/18/776188918.db2.gz HEOTZJHVQXHVPU-UTUOFQBUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@@H](C1)O2 ZINC001273069276 776188920 /nfs/dbraw/zinc/18/89/20/776188920.db2.gz HEOTZJHVQXHVPU-UTUOFQBUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@@H](C1)O2 ZINC001273069276 776188921 /nfs/dbraw/zinc/18/89/21/776188921.db2.gz HEOTZJHVQXHVPU-UTUOFQBUSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045397856 776225240 /nfs/dbraw/zinc/22/52/40/776225240.db2.gz QYFHGTJZXXYLKM-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045397856 776225244 /nfs/dbraw/zinc/22/52/44/776225244.db2.gz QYFHGTJZXXYLKM-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001128967555 776229257 /nfs/dbraw/zinc/22/92/57/776229257.db2.gz WDNKUSIRDWYZJY-JTQLQIEISA-N 2 2 293.327 -1.147 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001128967555 776229262 /nfs/dbraw/zinc/22/92/62/776229262.db2.gz WDNKUSIRDWYZJY-JTQLQIEISA-N 2 2 293.327 -1.147 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992282 776236112 /nfs/dbraw/zinc/23/61/12/776236112.db2.gz YOMHXXDZDPTFIB-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001083887611 776267715 /nfs/dbraw/zinc/26/77/15/776267715.db2.gz BGYQHPVCUWOZAD-OLZOCXBDSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001083887611 776267718 /nfs/dbraw/zinc/26/77/18/776267718.db2.gz BGYQHPVCUWOZAD-OLZOCXBDSA-N 2 2 285.388 -1.128 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481268 776370852 /nfs/dbraw/zinc/37/08/52/776370852.db2.gz CMQAZFCLKGOTQH-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481268 776370865 /nfs/dbraw/zinc/37/08/65/776370865.db2.gz CMQAZFCLKGOTQH-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481268 776370878 /nfs/dbraw/zinc/37/08/78/776370878.db2.gz CMQAZFCLKGOTQH-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481268 776370887 /nfs/dbraw/zinc/37/08/87/776370887.db2.gz CMQAZFCLKGOTQH-IJLUTSLNSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081448715 776370964 /nfs/dbraw/zinc/37/09/64/776370964.db2.gz QHFKHODKPFQBAT-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081448715 776370978 /nfs/dbraw/zinc/37/09/78/776370978.db2.gz QHFKHODKPFQBAT-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081448715 776370984 /nfs/dbraw/zinc/37/09/84/776370984.db2.gz QHFKHODKPFQBAT-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081448715 776370993 /nfs/dbraw/zinc/37/09/93/776370993.db2.gz QHFKHODKPFQBAT-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372164 776412964 /nfs/dbraw/zinc/41/29/64/776412964.db2.gz VNFFVKBXMFAHQP-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001082372164 776412966 /nfs/dbraw/zinc/41/29/66/776412966.db2.gz VNFFVKBXMFAHQP-VXGBXAGGSA-N 2 2 282.344 -1.001 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001118920368 776417313 /nfs/dbraw/zinc/41/73/13/776417313.db2.gz XHYIWXAHTIVHRV-GXSJLCMTSA-N 2 2 279.344 -1.055 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083035626 776431206 /nfs/dbraw/zinc/43/12/06/776431206.db2.gz XTALDHRZKAJLQT-XQQFMLRXSA-N 2 2 299.371 -1.779 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083035626 776431208 /nfs/dbraw/zinc/43/12/08/776431208.db2.gz XTALDHRZKAJLQT-XQQFMLRXSA-N 2 2 299.371 -1.779 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083035626 776431209 /nfs/dbraw/zinc/43/12/09/776431209.db2.gz XTALDHRZKAJLQT-XQQFMLRXSA-N 2 2 299.371 -1.779 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083035626 776431213 /nfs/dbraw/zinc/43/12/13/776431213.db2.gz XTALDHRZKAJLQT-XQQFMLRXSA-N 2 2 299.371 -1.779 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083954113 776438491 /nfs/dbraw/zinc/43/84/91/776438491.db2.gz LOKDQFZITWDEHA-NEPJUHHUSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083954113 776438494 /nfs/dbraw/zinc/43/84/94/776438494.db2.gz LOKDQFZITWDEHA-NEPJUHHUSA-N 2 2 282.344 -1.494 20 0 CAADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078634 776444044 /nfs/dbraw/zinc/44/40/44/776444044.db2.gz BETIWNMTJIAHMI-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078634 776444053 /nfs/dbraw/zinc/44/40/53/776444053.db2.gz BETIWNMTJIAHMI-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078634 776444058 /nfs/dbraw/zinc/44/40/58/776444058.db2.gz BETIWNMTJIAHMI-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078634 776444062 /nfs/dbraw/zinc/44/40/62/776444062.db2.gz BETIWNMTJIAHMI-GRYCIOLGSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114739 776447583 /nfs/dbraw/zinc/44/75/83/776447583.db2.gz BUMQEGGTDKSPDT-MXWKQRLJSA-N 2 2 268.317 -1.575 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114739 776447586 /nfs/dbraw/zinc/44/75/86/776447586.db2.gz BUMQEGGTDKSPDT-MXWKQRLJSA-N 2 2 268.317 -1.575 20 0 CAADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CCC1 ZINC001099871691 776465619 /nfs/dbraw/zinc/46/56/19/776465619.db2.gz JGUYKBCHXSGAGO-WDEREUQCSA-N 2 2 298.387 -1.493 20 0 CAADLP C[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000821344935 776465997 /nfs/dbraw/zinc/46/59/97/776465997.db2.gz ASJMRNVNZOJDKR-SNVBAGLBSA-N 2 2 265.379 -1.025 20 0 CAADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531593 776486960 /nfs/dbraw/zinc/48/69/60/776486960.db2.gz WBPVNJSGVLUGAO-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531593 776486968 /nfs/dbraw/zinc/48/69/68/776486968.db2.gz WBPVNJSGVLUGAO-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531593 776486971 /nfs/dbraw/zinc/48/69/71/776486971.db2.gz WBPVNJSGVLUGAO-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531593 776486978 /nfs/dbraw/zinc/48/69/78/776486978.db2.gz WBPVNJSGVLUGAO-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099986085 776490073 /nfs/dbraw/zinc/49/00/73/776490073.db2.gz HUJQINYECMHQTF-VHSXEESVSA-N 2 2 272.349 -2.025 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099986085 776490074 /nfs/dbraw/zinc/49/00/74/776490074.db2.gz HUJQINYECMHQTF-VHSXEESVSA-N 2 2 272.349 -2.025 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001099986084 776490164 /nfs/dbraw/zinc/49/01/64/776490164.db2.gz HUJQINYECMHQTF-UWVGGRQHSA-N 2 2 272.349 -2.025 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001099986084 776490165 /nfs/dbraw/zinc/49/01/65/776490165.db2.gz HUJQINYECMHQTF-UWVGGRQHSA-N 2 2 272.349 -2.025 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000405094352 776501512 /nfs/dbraw/zinc/50/15/12/776501512.db2.gz IOODHFISECNHJK-SECBINFHSA-N 2 2 262.379 -1.877 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000405094352 776501517 /nfs/dbraw/zinc/50/15/17/776501517.db2.gz IOODHFISECNHJK-SECBINFHSA-N 2 2 262.379 -1.877 20 0 CAADLP NC(=O)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067349 776519900 /nfs/dbraw/zinc/51/99/00/776519900.db2.gz QQONNXYKYOAQFX-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001169203849 776521094 /nfs/dbraw/zinc/52/10/94/776521094.db2.gz CKHBDNIEAMDTRI-SECBINFHSA-N 2 2 293.327 -1.147 20 0 CAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001169118402 776521377 /nfs/dbraw/zinc/52/13/77/776521377.db2.gz JBIGJYOYJRPCFL-QEYWKRMJSA-N 2 2 254.334 -1.070 20 0 CAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CC(N)=O)C(N)=O)C2 ZINC001169118402 776521385 /nfs/dbraw/zinc/52/13/85/776521385.db2.gz JBIGJYOYJRPCFL-QEYWKRMJSA-N 2 2 254.334 -1.070 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204139 776522325 /nfs/dbraw/zinc/52/23/25/776522325.db2.gz IPYWYWNIXPLLOK-UHFFFAOYSA-N 2 2 282.304 -1.757 20 0 CAADLP Nc1nc2nc[nH]c2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072937 776522552 /nfs/dbraw/zinc/52/25/52/776522552.db2.gz UTCCNBWSNJIPAT-ZCFIWIBFSA-N 2 2 274.288 -1.017 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001169205294 776523949 /nfs/dbraw/zinc/52/39/49/776523949.db2.gz XHNZSVDIZQLRHJ-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC(N2CC(F)C2)C1 ZINC001157527598 776583656 /nfs/dbraw/zinc/58/36/56/776583656.db2.gz OFHCVNCKKOSHOG-KPXOXKRLSA-N 2 2 268.336 -1.199 20 0 CAADLP CCn1nnc2c1[C@@H](C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)C[NH2+]C2 ZINC001157530860 776585719 /nfs/dbraw/zinc/58/57/19/776585719.db2.gz KYKWPBZGJPFHSG-YIZRAAEISA-N 2 2 282.323 -1.008 20 0 CAADLP CCNC(=O)CN(C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157679053 776595568 /nfs/dbraw/zinc/59/55/68/776595568.db2.gz OAJZSTPIMXENPE-LNLATYFQSA-N 2 2 254.334 -1.197 20 0 CAADLP OC[C@H]1C[C@@H](O)CN1c1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001170280348 776598808 /nfs/dbraw/zinc/59/88/08/776598808.db2.gz ZETRBOQKCKBJLM-GHMZBOCLSA-N 2 2 279.344 -1.182 20 0 CAADLP COC(=O)[C@]1(F)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001157716529 776600336 /nfs/dbraw/zinc/60/03/36/776600336.db2.gz PCEYVLDMOBTEST-LAEOZQHASA-N 2 2 259.281 -1.353 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)nc1=O ZINC001129435162 776620457 /nfs/dbraw/zinc/62/04/57/776620457.db2.gz CMNRHJNDZBTIKG-LLVKDONJSA-N 2 2 296.375 -1.346 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)nc1=O ZINC001129435163 776621906 /nfs/dbraw/zinc/62/19/06/776621906.db2.gz CMNRHJNDZBTIKG-NSHDSACASA-N 2 2 296.375 -1.346 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CCCNC(=O)C1 ZINC001157888465 776631382 /nfs/dbraw/zinc/63/13/82/776631382.db2.gz DFNCXAZMABJEDH-LLVKDONJSA-N 2 2 283.376 -1.915 20 0 CAADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001129947215 776635788 /nfs/dbraw/zinc/63/57/88/776635788.db2.gz OUWURUWGLUWSMW-NSHDSACASA-N 2 2 298.391 -1.100 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)CC[NH2+]CC1 ZINC001157905374 776641140 /nfs/dbraw/zinc/64/11/40/776641140.db2.gz TZHRLBBUWZNCPA-UWVGGRQHSA-N 2 2 257.334 -1.731 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157903282 776641218 /nfs/dbraw/zinc/64/12/18/776641218.db2.gz FCBHPNKOOGNLPT-IEBDPFPHSA-N 2 2 268.317 -1.519 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)O1 ZINC001130180689 776643792 /nfs/dbraw/zinc/64/37/92/776643792.db2.gz UKPQDEQEQALUIC-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ncnn2C)O1 ZINC001130180689 776643795 /nfs/dbraw/zinc/64/37/95/776643795.db2.gz UKPQDEQEQALUIC-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)O1 ZINC001130180584 776644805 /nfs/dbraw/zinc/64/48/05/776644805.db2.gz UHCJBQAJKZLVQU-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)O1 ZINC001130180584 776644810 /nfs/dbraw/zinc/64/48/10/776644810.db2.gz UHCJBQAJKZLVQU-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1ncnc2c1CC[NH2+]CC2 ZINC001157933286 776646573 /nfs/dbraw/zinc/64/65/73/776646573.db2.gz RFGHNWSTKVJKNL-UHFFFAOYSA-N 2 2 261.289 -1.090 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934992 776649094 /nfs/dbraw/zinc/64/90/94/776649094.db2.gz PZRBWCNVCAJGCJ-IEBDPFPHSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934990 776649120 /nfs/dbraw/zinc/64/91/20/776649120.db2.gz PZRBWCNVCAJGCJ-FBIMIBRVSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934994 776649257 /nfs/dbraw/zinc/64/92/57/776649257.db2.gz PZRBWCNVCAJGCJ-JMJZKYOTSA-N 2 2 268.317 -1.519 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001157946459 776652882 /nfs/dbraw/zinc/65/28/82/776652882.db2.gz NIGQLMCKQJJZFW-GMXVVIOVSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC[C@@H]1O ZINC001157946491 776654265 /nfs/dbraw/zinc/65/42/65/776654265.db2.gz NWLCRXVCWSQAFC-GMXVVIOVSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[C@@H]1O ZINC001157946883 776654641 /nfs/dbraw/zinc/65/46/41/776654641.db2.gz PFYBPWBAZBMGPK-HNRZYHPDSA-N 2 2 283.372 -1.472 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC[C@H]1O ZINC001157946493 776655023 /nfs/dbraw/zinc/65/50/23/776655023.db2.gz NWLCRXVCWSQAFC-LOWVWBTDSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC[C@H]1O ZINC001157946494 776655165 /nfs/dbraw/zinc/65/51/65/776655165.db2.gz NWLCRXVCWSQAFC-NQBHXWOUSA-N 2 2 282.344 -1.129 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404124 776656265 /nfs/dbraw/zinc/65/62/65/776656265.db2.gz GPZJTDYSDYRRLT-VIFPVBQESA-N 2 2 265.317 -1.363 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481629 776657205 /nfs/dbraw/zinc/65/72/05/776657205.db2.gz XUGQTQGZVZJOLT-SNVBAGLBSA-N 2 2 279.344 -1.103 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478337 776657889 /nfs/dbraw/zinc/65/78/89/776657889.db2.gz YISCQQBHGTZZDZ-JTQLQIEISA-N 2 2 279.344 -1.103 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130480721 776657987 /nfs/dbraw/zinc/65/79/87/776657987.db2.gz AZOUPCZZDUYRQN-VIFPVBQESA-N 2 2 265.317 -1.363 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001158006641 776662422 /nfs/dbraw/zinc/66/24/22/776662422.db2.gz LWEYKTSQAMTYHQ-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001158015608 776664285 /nfs/dbraw/zinc/66/42/85/776664285.db2.gz UBPRVCCEMAQVNR-JBDRJPRFSA-N 2 2 259.281 -1.355 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CC(N)=O)no1 ZINC001130653865 776664387 /nfs/dbraw/zinc/66/43/87/776664387.db2.gz XVJDTVSQNRQGHY-UHFFFAOYSA-N 2 2 269.305 -1.459 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648985 776664484 /nfs/dbraw/zinc/66/44/84/776664484.db2.gz YIGZTELRGHGTOI-UHFFFAOYSA-N 2 2 283.332 -1.198 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001130645915 776665928 /nfs/dbraw/zinc/66/59/28/776665928.db2.gz XISPBXROBIHHFD-MRVPVSSYSA-N 2 2 283.332 -1.071 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+][C@@H]2CCNC2=O)no1 ZINC001130645464 776665979 /nfs/dbraw/zinc/66/59/79/776665979.db2.gz LPOSSWPWKIZDJK-SNVBAGLBSA-N 2 2 295.343 -1.056 20 0 CAADLP Cn1nnc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209328 776683169 /nfs/dbraw/zinc/68/31/69/776683169.db2.gz QVWBUIVQOGLNCS-SSDOTTSWSA-N 2 2 274.288 -1.194 20 0 CAADLP NC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204942 776684230 /nfs/dbraw/zinc/68/42/30/776684230.db2.gz WVWWGNVDWSJIKM-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(N)=O ZINC001131640217 776696643 /nfs/dbraw/zinc/69/66/43/776696643.db2.gz YIFGIMJVEQFXCS-UHFFFAOYSA-N 2 2 253.306 -1.456 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001131641239 776696669 /nfs/dbraw/zinc/69/66/69/776696669.db2.gz KUPBLWVJSCLKGW-SECBINFHSA-N 2 2 267.333 -1.068 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001132081762 776713573 /nfs/dbraw/zinc/71/35/73/776713573.db2.gz DNZCUDFTYRIDJW-JTQLQIEISA-N 2 2 293.327 -1.216 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1 ZINC001158546792 776715552 /nfs/dbraw/zinc/71/55/52/776715552.db2.gz MBMHCCIVJWDRLC-MPLKPFFPSA-N 3 2 280.372 -1.345 20 0 CAADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001133832016 776789545 /nfs/dbraw/zinc/78/95/45/776789545.db2.gz ZVFQUEJEHNFSNJ-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001133832016 776789548 /nfs/dbraw/zinc/78/95/48/776789548.db2.gz ZVFQUEJEHNFSNJ-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133833820 776789658 /nfs/dbraw/zinc/78/96/58/776789658.db2.gz GZNKPCWZYSKEBO-SNVBAGLBSA-N 2 2 296.375 -1.202 20 0 CAADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133833820 776789664 /nfs/dbraw/zinc/78/96/64/776789664.db2.gz GZNKPCWZYSKEBO-SNVBAGLBSA-N 2 2 296.375 -1.202 20 0 CAADLP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133833819 776790570 /nfs/dbraw/zinc/79/05/70/776790570.db2.gz GZNKPCWZYSKEBO-JTQLQIEISA-N 2 2 296.375 -1.202 20 0 CAADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133833819 776790574 /nfs/dbraw/zinc/79/05/74/776790574.db2.gz GZNKPCWZYSKEBO-JTQLQIEISA-N 2 2 296.375 -1.202 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001133853294 776790631 /nfs/dbraw/zinc/79/06/31/776790631.db2.gz IFZZVSNFQXXGRH-JTQLQIEISA-N 2 2 281.364 -1.242 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001133853294 776790640 /nfs/dbraw/zinc/79/06/40/776790640.db2.gz IFZZVSNFQXXGRH-JTQLQIEISA-N 2 2 281.364 -1.242 20 0 CAADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866519 776792855 /nfs/dbraw/zinc/79/28/55/776792855.db2.gz MJHORKQAHLGGEK-UWVGGRQHSA-N 2 2 296.375 -1.488 20 0 CAADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133866519 776792860 /nfs/dbraw/zinc/79/28/60/776792860.db2.gz MJHORKQAHLGGEK-UWVGGRQHSA-N 2 2 296.375 -1.488 20 0 CAADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001133982653 776799993 /nfs/dbraw/zinc/79/99/93/776799993.db2.gz GFQCYYGZGRMCHT-VIFPVBQESA-N 2 2 284.364 -1.346 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001134049833 776805265 /nfs/dbraw/zinc/80/52/65/776805265.db2.gz QRDWTDGEHTUOGM-RKDXNWHRSA-N 2 2 265.317 -1.285 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397502 776813348 /nfs/dbraw/zinc/81/33/48/776813348.db2.gz PDBNPSJPAYJHNO-UHFFFAOYSA-N 2 2 268.277 -2.147 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001134401028 776813599 /nfs/dbraw/zinc/81/35/99/776813599.db2.gz UOVPPWHDERWTOO-SSDOTTSWSA-N 2 2 282.304 -1.759 20 0 CAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397684 776814285 /nfs/dbraw/zinc/81/42/85/776814285.db2.gz SRPFVUFYHVFLFO-MRVPVSSYSA-N 2 2 296.331 -1.498 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134397900 776814371 /nfs/dbraw/zinc/81/43/71/776814371.db2.gz XSRZGADSIHWKPM-UHFFFAOYSA-N 2 2 294.315 -1.790 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397166 776814450 /nfs/dbraw/zinc/81/44/50/776814450.db2.gz KNPLFUFYMWBAAN-QMMMGPOBSA-N 2 2 253.306 -1.208 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134407035 776815018 /nfs/dbraw/zinc/81/50/18/776815018.db2.gz NLVZWVBLPNLEDK-UHFFFAOYSA-N 2 2 295.343 -1.483 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOCCO ZINC001134393061 776816242 /nfs/dbraw/zinc/81/62/42/776816242.db2.gz IATZJLUITOCQKA-UHFFFAOYSA-N 2 2 256.306 -1.333 20 0 CAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396679 776816809 /nfs/dbraw/zinc/81/68/09/776816809.db2.gz CTJMOVABUXPSRM-UHFFFAOYSA-N 2 2 289.361 -1.793 20 0 CAADLP COC[C@H](O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134394295 776816862 /nfs/dbraw/zinc/81/68/62/776816862.db2.gz XYSXVPQLEHWHES-SNVBAGLBSA-N 2 2 256.306 -1.335 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001134394082 776816894 /nfs/dbraw/zinc/81/68/94/776816894.db2.gz XIQIDLWDYVMHTO-SECBINFHSA-N 2 2 279.300 -1.537 20 0 CAADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COCC[NH3+] ZINC001118198497 779552864 /nfs/dbraw/zinc/55/28/64/779552864.db2.gz VAKLZVUYLYTPMV-NSHDSACASA-N 2 2 258.366 -1.286 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)COCC[NH3+] ZINC001118198496 779552955 /nfs/dbraw/zinc/55/29/55/779552955.db2.gz VAKLZVUYLYTPMV-LLVKDONJSA-N 2 2 258.366 -1.286 20 0 CAADLP C[C@H](CNC(=O)CNC(=O)C[NH3+])Cn1cc[nH+]c1 ZINC001118219117 779554190 /nfs/dbraw/zinc/55/41/90/779554190.db2.gz PTFKLIKTKADDOE-SECBINFHSA-N 2 2 253.306 -1.290 20 0 CAADLP CC1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C[NH2+]C1 ZINC001118286456 779560122 /nfs/dbraw/zinc/56/01/22/779560122.db2.gz FLFHUSKPXJVSOA-VIFPVBQESA-N 2 2 254.334 -1.338 20 0 CAADLP CC1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C[NH2+]C1 ZINC001118286456 779560130 /nfs/dbraw/zinc/56/01/30/779560130.db2.gz FLFHUSKPXJVSOA-VIFPVBQESA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC001118569666 779576868 /nfs/dbraw/zinc/57/68/68/779576868.db2.gz IZRGCPXRWHZHQS-VIFPVBQESA-N 2 2 254.334 -1.066 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC001118569666 779576872 /nfs/dbraw/zinc/57/68/72/779576872.db2.gz IZRGCPXRWHZHQS-VIFPVBQESA-N 2 2 254.334 -1.066 20 0 CAADLP [NH3+][C@H](CO)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001121989972 779654045 /nfs/dbraw/zinc/65/40/45/779654045.db2.gz YYBFBCCLDYOXTA-WDEREUQCSA-N 2 2 257.334 -1.371 20 0 CAADLP [NH3+][C@H](CO)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001121989970 779654256 /nfs/dbraw/zinc/65/42/56/779654256.db2.gz YYBFBCCLDYOXTA-GHMZBOCLSA-N 2 2 257.334 -1.371 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001121997823 779655201 /nfs/dbraw/zinc/65/52/01/779655201.db2.gz IXFWLQSBOCOXGP-VHSXEESVSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001121997823 779655207 /nfs/dbraw/zinc/65/52/07/779655207.db2.gz IXFWLQSBOCOXGP-VHSXEESVSA-N 2 2 259.350 -1.079 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001122127254 779658307 /nfs/dbraw/zinc/65/83/07/779658307.db2.gz PTBICQGNEJMFKT-LBPRGKRZSA-N 2 2 289.376 -1.497 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC001122143282 779660094 /nfs/dbraw/zinc/66/00/94/779660094.db2.gz FOQVWXFMGVMJKH-ZJUUUORDSA-N 2 2 254.334 -1.610 20 0 CAADLP [NH3+]CCNCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122144145 779660164 /nfs/dbraw/zinc/66/01/64/779660164.db2.gz VGAMGCRDYWGDPU-LLVKDONJSA-N 2 2 256.350 -1.532 20 0 CAADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC001122410185 779667880 /nfs/dbraw/zinc/66/78/80/779667880.db2.gz JUVIJAVXGMXFPD-GXFFZTMASA-N 2 2 266.345 -1.242 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149553500 779780342 /nfs/dbraw/zinc/78/03/42/779780342.db2.gz KUGHSNHREGJOBS-UHFFFAOYSA-N 2 2 267.333 -1.196 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001149558348 779780367 /nfs/dbraw/zinc/78/03/67/779780367.db2.gz IDNRHCHLDJXDFL-LLVKDONJSA-N 2 2 279.344 -1.053 20 0 CAADLP NC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714972 779798837 /nfs/dbraw/zinc/79/88/37/779798837.db2.gz JCFOTTYZLPXNIW-GFCCVEGCSA-N 2 2 298.387 -1.225 20 0 CAADLP NC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714972 779798848 /nfs/dbraw/zinc/79/88/48/779798848.db2.gz JCFOTTYZLPXNIW-GFCCVEGCSA-N 2 2 298.387 -1.225 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001151749290 779815434 /nfs/dbraw/zinc/81/54/34/779815434.db2.gz UNPZPRIGPDASBA-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncnn2C)C1 ZINC001151749290 779815439 /nfs/dbraw/zinc/81/54/39/779815439.db2.gz UNPZPRIGPDASBA-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151817093 779817119 /nfs/dbraw/zinc/81/71/19/779817119.db2.gz KSWHTMSOOPWGBG-CMPLNLGQSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151817093 779817123 /nfs/dbraw/zinc/81/71/23/779817123.db2.gz KSWHTMSOOPWGBG-CMPLNLGQSA-N 2 2 257.334 -1.452 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]2NCN[C@H]21 ZINC001151909982 779817475 /nfs/dbraw/zinc/81/74/75/779817475.db2.gz OCBNFMPXYQZXDO-TUAOUCFPSA-N 2 2 287.327 -1.533 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152439211 779823821 /nfs/dbraw/zinc/82/38/21/779823821.db2.gz FJUWRXIBDQYNJW-UHFFFAOYSA-N 2 2 269.353 -1.244 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001152439211 779823828 /nfs/dbraw/zinc/82/38/28/779823828.db2.gz FJUWRXIBDQYNJW-UHFFFAOYSA-N 2 2 269.353 -1.244 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCN1CCNC1=O ZINC001153495919 779840137 /nfs/dbraw/zinc/84/01/37/779840137.db2.gz QZGNNGNDEVZBCQ-UHFFFAOYSA-N 2 2 280.332 -1.386 20 0 CAADLP CC(=O)NCCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495559 779840262 /nfs/dbraw/zinc/84/02/62/779840262.db2.gz KFRUSQMGWSVFGZ-UHFFFAOYSA-N 2 2 297.359 -1.258 20 0 CAADLP CN(C)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153488004 779840322 /nfs/dbraw/zinc/84/03/22/779840322.db2.gz ZKYMEEVJNSXJMT-UHFFFAOYSA-N 2 2 253.306 -1.323 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487608 779840498 /nfs/dbraw/zinc/84/04/98/779840498.db2.gz IENAEUCPPJEVSZ-UHFFFAOYSA-N 2 2 268.277 -2.216 20 0 CAADLP CC[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001153500492 779840574 /nfs/dbraw/zinc/84/05/74/779840574.db2.gz MGKMWKFLUOXUAX-SECBINFHSA-N 2 2 253.306 -1.147 20 0 CAADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NC1CC1 ZINC001153487962 779840634 /nfs/dbraw/zinc/84/06/34/779840634.db2.gz WBSCYHAYKIQWHW-UHFFFAOYSA-N 2 2 265.317 -1.133 20 0 CAADLP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500266 779840744 /nfs/dbraw/zinc/84/07/44/779840744.db2.gz HTANJOKWNLPPQO-SECBINFHSA-N 2 2 296.331 -1.567 20 0 CAADLP COC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495170 779840832 /nfs/dbraw/zinc/84/08/32/779840832.db2.gz DONAHWFDSVXHSX-JTQLQIEISA-N 2 2 256.306 -1.404 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+][C@@H]1CCNC1=O ZINC001153495663 779840874 /nfs/dbraw/zinc/84/08/74/779840874.db2.gz MRSLFYLAGOMNND-SECBINFHSA-N 2 2 251.290 -1.523 20 0 CAADLP CC[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001153500493 779840993 /nfs/dbraw/zinc/84/09/93/779840993.db2.gz MGKMWKFLUOXUAX-VIFPVBQESA-N 2 2 253.306 -1.147 20 0 CAADLP COC[C@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495171 779841237 /nfs/dbraw/zinc/84/12/37/779841237.db2.gz DONAHWFDSVXHSX-SNVBAGLBSA-N 2 2 256.306 -1.404 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001153500293 779841295 /nfs/dbraw/zinc/84/12/95/779841295.db2.gz IZJRVQHMBODLDA-QMMMGPOBSA-N 2 2 282.304 -1.828 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2cccc3c[nH+]cn32)[C@H]2NCN[C@@H]21 ZINC001155799870 779877146 /nfs/dbraw/zinc/87/71/46/779877146.db2.gz OVTBANIYZZYVJV-IJLUTSLNSA-N 2 2 287.327 -1.533 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001155791551 779877452 /nfs/dbraw/zinc/87/74/52/779877452.db2.gz WNOMMYGSMVOGRV-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001155791551 779877458 /nfs/dbraw/zinc/87/74/58/779877458.db2.gz WNOMMYGSMVOGRV-SNVBAGLBSA-N 2 2 281.364 -1.100 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2cccc3c[nH+]cn32)[C@@H]2NCN[C@H]21 ZINC001155799872 779877674 /nfs/dbraw/zinc/87/76/74/779877674.db2.gz OVTBANIYZZYVJV-TUAOUCFPSA-N 2 2 287.327 -1.533 20 0 CAADLP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144214 779882914 /nfs/dbraw/zinc/88/29/14/779882914.db2.gz BOOZHBVDFVOICB-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144214 779882919 /nfs/dbraw/zinc/88/29/19/779882919.db2.gz BOOZHBVDFVOICB-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144472 779883330 /nfs/dbraw/zinc/88/33/30/779883330.db2.gz CYVJSHXJXQYXHV-JTQLQIEISA-N 2 2 297.363 -1.863 20 0 CAADLP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144472 779883341 /nfs/dbraw/zinc/88/33/41/779883341.db2.gz CYVJSHXJXQYXHV-JTQLQIEISA-N 2 2 297.363 -1.863 20 0 CAADLP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145721 779883680 /nfs/dbraw/zinc/88/36/80/779883680.db2.gz OHTZJLCGOPJOLJ-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145721 779883687 /nfs/dbraw/zinc/88/36/87/779883687.db2.gz OHTZJLCGOPJOLJ-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001156146399 779884874 /nfs/dbraw/zinc/88/48/74/779884874.db2.gz YEQLPRZJGSGTCH-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001156146399 779884878 /nfs/dbraw/zinc/88/48/78/779884878.db2.gz YEQLPRZJGSGTCH-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001157081569 779895277 /nfs/dbraw/zinc/89/52/77/779895277.db2.gz ASWYNOZQNNIJLH-GARJFASQSA-N 2 2 296.327 -1.420 20 0 CAADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001157081569 779895279 /nfs/dbraw/zinc/89/52/79/779895279.db2.gz ASWYNOZQNNIJLH-GARJFASQSA-N 2 2 296.327 -1.420 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157335928 779899851 /nfs/dbraw/zinc/89/98/51/779899851.db2.gz LYVLNKYBEIGTDA-GUBZILKMSA-N 3 2 271.365 -2.107 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157323043 779899915 /nfs/dbraw/zinc/89/99/15/779899915.db2.gz KBFNRKOOCBRSDR-YUMQZZPRSA-N 2 2 298.351 -2.571 20 0 CAADLP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)N1CCCC1 ZINC001157378566 779901567 /nfs/dbraw/zinc/90/15/67/779901567.db2.gz CQHYLVRLNSYOEK-RYUDHWBXSA-N 3 2 299.419 -1.101 20 0 CAADLP [NH3+]CCCC[C@H](NC(=O)C1([NH3+])COC1)C(=O)N1CCCC1 ZINC001157370881 779901623 /nfs/dbraw/zinc/90/16/23/779901623.db2.gz JQOXCPGBMCNNGF-NSHDSACASA-N 2 2 298.387 -1.050 20 0 CAADLP Cn1cc[nH+]c1CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001157422751 779902654 /nfs/dbraw/zinc/90/26/54/779902654.db2.gz NCLASONLIGYAHS-SECBINFHSA-N 2 2 282.348 -1.145 20 0 CAADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157421710 779902834 /nfs/dbraw/zinc/90/28/34/779902834.db2.gz HUSLWPPOKMRWTQ-SNVBAGLBSA-N 3 2 263.345 -1.112 20 0 CAADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[C@H](O)C[NH2+]2)n[nH]1 ZINC001157439914 779903183 /nfs/dbraw/zinc/90/31/83/779903183.db2.gz QBCMSOLOYSNXQH-BQBZGAKWSA-N 2 2 252.278 -1.333 20 0 CAADLP CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157448827 779903376 /nfs/dbraw/zinc/90/33/76/779903376.db2.gz LJSQATNZNXOILL-APPZFPTMSA-N 2 2 281.316 -1.108 20 0 CAADLP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157448904 779903580 /nfs/dbraw/zinc/90/35/80/779903580.db2.gz OMDCEZAFGOTRLC-MNOVXSKESA-N 3 2 298.387 -1.051 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(C)C(=O)C1 ZINC001157484891 779904861 /nfs/dbraw/zinc/90/48/61/779904861.db2.gz FZESXQKBSDXZNL-JTQLQIEISA-N 2 2 265.317 -1.410 20 0 CAADLP CNC(=O)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157495116 779905260 /nfs/dbraw/zinc/90/52/60/779905260.db2.gz FRZQNGFADGCQQD-SMDDNHRTSA-N 2 2 280.372 -1.078 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001157507995 779906764 /nfs/dbraw/zinc/90/67/64/779906764.db2.gz NPETZELQAJGAIT-GARJFASQSA-N 2 2 282.344 -1.153 20 0 CAADLP O=C(N1CCn2cnnc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157506867 779906794 /nfs/dbraw/zinc/90/67/94/779906794.db2.gz ADFIVSWHNSGILN-BXKDBHETSA-N 2 2 262.317 -1.428 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCn2cnnc2C1 ZINC001157507699 779906866 /nfs/dbraw/zinc/90/68/66/779906866.db2.gz LCHOJNPPZOLRKA-LPEHRKFASA-N 2 2 262.317 -1.430 20 0 CAADLP O=C(N1CCn2cnnc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157506873 779906935 /nfs/dbraw/zinc/90/69/35/779906935.db2.gz ADFIVSWHNSGILN-SKDRFNHKSA-N 2 2 262.317 -1.428 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157507659 779907145 /nfs/dbraw/zinc/90/71/45/779907145.db2.gz KKIMIZUVQSLCPS-GWCFXTLKSA-N 2 2 282.344 -1.152 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529168 779908025 /nfs/dbraw/zinc/90/80/25/779908025.db2.gz YISAPQLZJOXOCR-CYBMUJFWSA-N 2 2 299.394 -1.399 20 0 CAADLP COCC1CN(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001157521995 779908061 /nfs/dbraw/zinc/90/80/61/779908061.db2.gz NMBVDTBLBNAWRM-LBPRGKRZSA-N 2 2 270.377 -1.158 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157715526 779910061 /nfs/dbraw/zinc/91/00/61/779910061.db2.gz FQEUPUWJJUFKMW-NTZNESFSSA-N 3 2 268.361 -1.615 20 0 CAADLP CCNC(=O)CN(C)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157679679 779910974 /nfs/dbraw/zinc/91/09/74/779910974.db2.gz VACGQZQCWZAQAG-LLVKDONJSA-N 2 2 285.392 -1.669 20 0 CAADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157715211 779911043 /nfs/dbraw/zinc/91/10/43/779911043.db2.gz CIZRASHTJJAMKP-NEPJUHHUSA-N 3 2 281.360 -1.263 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157721388 779911727 /nfs/dbraw/zinc/91/17/27/779911727.db2.gz XIDIBUXKHVBURG-QWHCGFSZSA-N 3 2 299.419 -1.816 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001157716831 779911964 /nfs/dbraw/zinc/91/19/64/779911964.db2.gz TVLHSXRFYBNTBS-YUMQZZPRSA-N 2 2 269.309 -2.484 20 0 CAADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001157729098 779912310 /nfs/dbraw/zinc/91/23/10/779912310.db2.gz CSBWCGVHKHRKJY-KWQFWETISA-N 2 2 285.327 -1.251 20 0 CAADLP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1[NH3+] ZINC001157798422 779913574 /nfs/dbraw/zinc/91/35/74/779913574.db2.gz APSPCVILOMVAIC-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP O=C(N1CC[C@@H](O)[C@H](F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157855680 779915007 /nfs/dbraw/zinc/91/50/07/779915007.db2.gz PLFJXXXURMKSGO-BFLSOPEQSA-N 2 2 257.309 -1.131 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157854063 779915292 /nfs/dbraw/zinc/91/52/92/779915292.db2.gz YXIXEFILOUZCAD-UHFFFAOYSA-N 2 2 294.355 -1.312 20 0 CAADLP O=C(N1CC[C@H](CO)[C@H](O)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157903801 779916592 /nfs/dbraw/zinc/91/65/92/779916592.db2.gz HJGXSFHHTMPZSG-LSCVPOLPSA-N 2 2 269.345 -1.860 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001157933013 779917148 /nfs/dbraw/zinc/91/71/48/779917148.db2.gz DEFXJMDUYNEPNX-UHFFFAOYSA-N 2 2 276.304 -1.369 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905992 779917746 /nfs/dbraw/zinc/91/77/46/779917746.db2.gz XXQPHOJAAULYMZ-DLOVCJGASA-N 2 2 282.344 -1.508 20 0 CAADLP O=C(N1CC[C@H](O)[C@H](CO)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157936300 779918973 /nfs/dbraw/zinc/91/89/73/779918973.db2.gz ZBBSLXRAMURAOA-NOHGZBONSA-N 2 2 269.345 -1.860 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[C@H]1O ZINC001157944227 779919977 /nfs/dbraw/zinc/91/99/77/779919977.db2.gz ITOQHNGZQOISQL-UNJBNNCHSA-N 2 2 283.372 -1.470 20 0 CAADLP C[C@]1(CO)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@@H]1O ZINC001157944600 779920032 /nfs/dbraw/zinc/92/00/32/779920032.db2.gz JPLMBZAQVNQQFD-CMPLNLGQSA-N 2 2 271.361 -1.341 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1O ZINC001157945313 779920123 /nfs/dbraw/zinc/92/01/23/779920123.db2.gz LFHPLBHMTZVMDN-WVWOOGAGSA-N 2 2 283.372 -1.470 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@H]1O ZINC001157945296 779920146 /nfs/dbraw/zinc/92/01/46/779920146.db2.gz LFHPLBHMTZVMDN-OXHZDVMGSA-N 2 2 283.372 -1.470 20 0 CAADLP C[NH+]1CCN(c2nccc(-n3[nH]c(=O)nc3C[NH3+])n2)CC1 ZINC001157940933 779920223 /nfs/dbraw/zinc/92/02/23/779920223.db2.gz NLCYUYIRYGDMCH-UHFFFAOYSA-N 2 2 290.331 -1.027 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@@H]1O ZINC001157944602 779920301 /nfs/dbraw/zinc/92/03/01/779920301.db2.gz JPLMBZAQVNQQFD-JQWIXIFHSA-N 2 2 271.361 -1.341 20 0 CAADLP C[C@]1(CO)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@H]1O ZINC001157944606 779920346 /nfs/dbraw/zinc/92/03/46/779920346.db2.gz JPLMBZAQVNQQFD-ZYHUDNBSSA-N 2 2 271.361 -1.341 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@H]1O ZINC001157945301 779920367 /nfs/dbraw/zinc/92/03/67/779920367.db2.gz LFHPLBHMTZVMDN-UNJBNNCHSA-N 2 2 283.372 -1.470 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@H]1O ZINC001157947383 779921023 /nfs/dbraw/zinc/92/10/23/779921023.db2.gz UBOQLGLZFOGBEW-UXCLJVHYSA-N 2 2 257.334 -1.875 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[C@H]1O ZINC001157947253 779921090 /nfs/dbraw/zinc/92/10/90/779921090.db2.gz RZZVQNQMNINSHC-DTHBNOIPSA-N 2 2 257.334 -1.733 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157946869 779921344 /nfs/dbraw/zinc/92/13/44/779921344.db2.gz PCABWSPBFBVBIX-OUCADQQQSA-N 2 2 296.371 -1.118 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157982259 779922285 /nfs/dbraw/zinc/92/22/85/779922285.db2.gz KQKAAFVXZMQZBN-YUMQZZPRSA-N 2 2 294.277 -1.234 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001157982947 779922538 /nfs/dbraw/zinc/92/25/38/779922538.db2.gz WZPLAEQKSFQUMA-SFYZADRCSA-N 2 2 294.277 -1.091 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H](O)C[NH3+] ZINC001157998035 779923185 /nfs/dbraw/zinc/92/31/85/779923185.db2.gz COZYYXVVOOKKRI-DTWKUNHWSA-N 2 2 259.306 -1.940 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001158000569 779923272 /nfs/dbraw/zinc/92/32/72/779923272.db2.gz YVAYNIOMMWQVBA-UWVGGRQHSA-N 2 2 287.316 -1.760 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157998914 779923313 /nfs/dbraw/zinc/92/33/13/779923313.db2.gz KMGVLRZQRDJHJG-GWCFXTLKSA-N 2 2 284.360 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157998973 779923358 /nfs/dbraw/zinc/92/33/58/779923358.db2.gz LOWUHQQMHZDQMZ-ZJUUUORDSA-N 3 2 272.349 -1.584 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999470 779923560 /nfs/dbraw/zinc/92/35/60/779923560.db2.gz RNVKITYZQKYHCZ-RYUDHWBXSA-N 3 2 298.387 -1.323 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001158000478 779923883 /nfs/dbraw/zinc/92/38/83/779923883.db2.gz YANWEDUQOTUIPM-ZRUFSTJUSA-N 2 2 267.329 -1.185 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001158000500 779923903 /nfs/dbraw/zinc/92/39/03/779923903.db2.gz YMFCJPJTFSKGSN-WRWGMCAJSA-N 2 2 297.355 -1.416 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001157998037 779923973 /nfs/dbraw/zinc/92/39/73/779923973.db2.gz COZYYXVVOOKKRI-RKDXNWHRSA-N 2 2 259.306 -1.940 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157998972 779924047 /nfs/dbraw/zinc/92/40/47/779924047.db2.gz LOWUHQQMHZDQMZ-VHSXEESVSA-N 3 2 272.349 -1.584 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001158013156 779924396 /nfs/dbraw/zinc/92/43/96/779924396.db2.gz CNKONHKWBDAGQC-BBBLOLIVSA-N 2 2 259.350 -1.344 20 0 CAADLP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158070449 779924555 /nfs/dbraw/zinc/92/45/55/779924555.db2.gz IERLIYLQVDXYIR-DOMZBBRYSA-N 3 2 294.399 -1.081 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001158007166 779924610 /nfs/dbraw/zinc/92/46/10/779924610.db2.gz QOCPSTRVXQQTHO-MNOVXSKESA-N 2 2 285.344 -1.272 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070497 779924652 /nfs/dbraw/zinc/92/46/52/779924652.db2.gz KAZICRCGZYUKGH-JTQLQIEISA-N 2 2 285.344 -1.142 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001158006970 779924806 /nfs/dbraw/zinc/92/48/06/779924806.db2.gz OPNZORBRBYWSCJ-JTQLQIEISA-N 3 2 272.349 -1.712 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001158006333 779924829 /nfs/dbraw/zinc/92/48/29/779924829.db2.gz KDSCVSXHWUSPEE-UTLUCORTSA-N 2 2 271.317 -1.927 20 0 CAADLP C[NH+]1CCN(c2ccc(-n3nnnc3C[NH3+])nn2)CC1 ZINC001158074420 779924857 /nfs/dbraw/zinc/92/48/57/779924857.db2.gz FDBVEQBHZJJIKN-UHFFFAOYSA-N 2 2 275.320 -1.337 20 0 CAADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001158014445 779925087 /nfs/dbraw/zinc/92/50/87/779925087.db2.gz LSEQGBNKZCBEKF-KZVJFYERSA-N 2 2 259.281 -1.212 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001158006974 779925137 /nfs/dbraw/zinc/92/51/37/779925137.db2.gz ORXAPJFLFHDNLP-UWVGGRQHSA-N 2 2 270.333 -2.089 20 0 CAADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001158016694 779925269 /nfs/dbraw/zinc/92/52/69/779925269.db2.gz ZBGGUQWZUJWWBU-UTLUCORTSA-N 2 2 259.350 -1.487 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077364 779925838 /nfs/dbraw/zinc/92/58/38/779925838.db2.gz UKIASOXUAWZHMP-QWRGUYRKSA-N 3 2 268.361 -1.486 20 0 CAADLP O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)C1(F)C[NH2+]C1 ZINC001158093945 779925969 /nfs/dbraw/zinc/92/59/69/779925969.db2.gz YZNKXCDOJCWBFU-SNVBAGLBSA-N 2 2 256.281 -2.012 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093089 779926095 /nfs/dbraw/zinc/92/60/95/779926095.db2.gz RZUVUDPVUXHLSW-QPUJVOFHSA-N 2 2 284.316 -2.433 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102871 779927167 /nfs/dbraw/zinc/92/71/67/779927167.db2.gz WZVWMXINIUJLGT-AUTRQRHGSA-N 3 2 267.333 -2.776 20 0 CAADLP O=C([C@@H]1COCC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101639 779927088 /nfs/dbraw/zinc/92/70/88/779927088.db2.gz KNXDZUMZDCMMPR-JOYOIKCWSA-N 2 2 268.317 -2.335 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161469 779928564 /nfs/dbraw/zinc/92/85/64/779928564.db2.gz VSXNJOMDNXTMQI-JOYOIKCWSA-N 2 2 279.348 -1.186 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158119861 779928584 /nfs/dbraw/zinc/92/85/84/779928584.db2.gz IBVJPODOQOAHMR-BFVZDQMLSA-N 3 2 293.371 -2.386 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168657 779929181 /nfs/dbraw/zinc/92/91/81/779929181.db2.gz WOJSVLCAJDJUOQ-HRDYMLBCSA-N 2 2 281.320 -2.484 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158187437 779930297 /nfs/dbraw/zinc/93/02/97/779930297.db2.gz PSTZVXOZCGIZOO-UTZTVMBJSA-N 3 2 250.346 -1.112 20 0 CAADLP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158198242 779930227 /nfs/dbraw/zinc/93/02/27/779930227.db2.gz COCPDZNOHRFUCK-LSCVPOLPSA-N 3 2 250.346 -1.099 20 0 CAADLP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158198243 779930366 /nfs/dbraw/zinc/93/03/66/779930366.db2.gz COCPDZNOHRFUCK-MEWQQHAOSA-N 3 2 250.346 -1.099 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158179735 779930506 /nfs/dbraw/zinc/93/05/06/779930506.db2.gz MYXVPTWXNGTBCW-CHWFTXMASA-N 3 2 254.334 -1.878 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001158187528 779930551 /nfs/dbraw/zinc/93/05/51/779930551.db2.gz UWCRJPOQKIDJFN-DSQUFTABSA-N 2 2 251.294 -1.981 20 0 CAADLP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158198244 779930655 /nfs/dbraw/zinc/93/06/55/779930655.db2.gz COCPDZNOHRFUCK-XZUYRWCXSA-N 3 2 250.346 -1.099 20 0 CAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001158235887 779931096 /nfs/dbraw/zinc/93/10/96/779931096.db2.gz TUDYAMZFWUCYBD-WJZNIJOASA-N 2 2 283.328 -1.676 20 0 CAADLP NS(=O)(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158209388 779931313 /nfs/dbraw/zinc/93/13/13/779931313.db2.gz UIRFFMMVELWIKB-MRVPVSSYSA-N 2 2 297.340 -1.223 20 0 CAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001158236176 779931344 /nfs/dbraw/zinc/93/13/44/779931344.db2.gz YCYMEYJSSBEPHF-YVNDNENWSA-N 2 2 283.328 -1.819 20 0 CAADLP NS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209511 779931388 /nfs/dbraw/zinc/93/13/88/779931388.db2.gz WBAGDAIEBKTSKO-SSDOTTSWSA-N 2 2 298.328 -1.828 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199349 779931635 /nfs/dbraw/zinc/93/16/35/779931635.db2.gz VKSHOQDCIGRUSX-KKJSVHSVSA-N 3 2 250.346 -1.101 20 0 CAADLP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001158236287 779931719 /nfs/dbraw/zinc/93/17/19/779931719.db2.gz ZTXVESFWQLONCN-GWCFXTLKSA-N 2 2 297.355 -1.285 20 0 CAADLP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158305141 779932345 /nfs/dbraw/zinc/93/23/45/779932345.db2.gz DLHNLCVBDDZWNK-KQXIARHKSA-N 3 2 250.346 -1.242 20 0 CAADLP [NH3+]C1(C(=O)N2CCC3(CC2)COCC(=O)N3)CC[NH2+]CC1 ZINC001158326895 779932827 /nfs/dbraw/zinc/93/28/27/779932827.db2.gz PCFTZZBKJNHMAS-UHFFFAOYSA-N 2 2 296.371 -1.425 20 0 CAADLP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158305144 779932870 /nfs/dbraw/zinc/93/28/70/779932870.db2.gz DLHNLCVBDDZWNK-WGBDABJCSA-N 3 2 250.346 -1.242 20 0 CAADLP O=C(N1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158371436 779933507 /nfs/dbraw/zinc/93/35/07/779933507.db2.gz YYMJHSDTMZSQAM-ONGXEEELSA-N 2 2 273.358 -1.805 20 0 CAADLP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158421437 779934360 /nfs/dbraw/zinc/93/43/60/779934360.db2.gz DSUNNIFIVVRGKB-MPPDQPJWSA-N 3 2 250.346 -1.099 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421692 779934896 /nfs/dbraw/zinc/93/48/96/779934896.db2.gz FHXIOHLZOOAAGK-RNWYCLNJSA-N 3 2 250.346 -1.101 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001158604271 779937931 /nfs/dbraw/zinc/93/79/31/779937931.db2.gz MFHUFUWEAXBCNK-GFCCVEGCSA-N 3 2 282.388 -1.414 20 0 CAADLP CN(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001158800310 779940310 /nfs/dbraw/zinc/94/03/10/779940310.db2.gz UPQSNDKIUUWQNT-ZJUUUORDSA-N 2 2 256.306 -1.899 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001158803198 779940391 /nfs/dbraw/zinc/94/03/91/779940391.db2.gz DSYAPLJAEQVSCJ-XQQFMLRXSA-N 2 2 293.371 -1.169 20 0 CAADLP COCc1n[nH]c2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159091032 779943370 /nfs/dbraw/zinc/94/33/70/779943370.db2.gz LEBRKQRXOKTZIR-CBAPKCEASA-N 2 2 265.317 -1.055 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@@H]2C1=O ZINC001159886181 779952274 /nfs/dbraw/zinc/95/22/74/779952274.db2.gz JNINJVBUNAKDET-NJBDSQKTSA-N 2 2 278.356 -1.516 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@@H]2C1=O ZINC001159887504 779952420 /nfs/dbraw/zinc/95/24/20/779952420.db2.gz WJJADVNRYFPDEB-MIMYLULJSA-N 2 2 277.328 -1.174 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]2C1=O ZINC001159886927 779952528 /nfs/dbraw/zinc/95/25/28/779952528.db2.gz QMXTVLFSMPTKSG-KATARQTJSA-N 2 2 252.318 -1.920 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@@H]2C1=O ZINC001159886182 779953472 /nfs/dbraw/zinc/95/34/72/779953472.db2.gz JNINJVBUNAKDET-PUHVVEEASA-N 2 2 278.356 -1.516 20 0 CAADLP CN1C[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]2C1=O ZINC001159884967 779953557 /nfs/dbraw/zinc/95/35/57/779953557.db2.gz FHEDEHHKBNDTOC-UKRLYRRISA-N 2 2 278.356 -1.245 20 0 CAADLP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160439827 779960079 /nfs/dbraw/zinc/96/00/79/779960079.db2.gz NTUJLZZLFWKFQC-GUBZILKMSA-N 2 2 298.343 -2.187 20 0 CAADLP C[C@H]1C(=O)NCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160449927 779960262 /nfs/dbraw/zinc/96/02/62/779960262.db2.gz BKNCKLYTSXYAGN-HAYRHPOISA-N 2 2 252.318 -1.445 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160456563 779961035 /nfs/dbraw/zinc/96/10/35/779961035.db2.gz NFXJOCBFWCZMMO-SECBINFHSA-N 2 2 266.305 -1.498 20 0 CAADLP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160450848 779961377 /nfs/dbraw/zinc/96/13/77/779961377.db2.gz IAAUTEWKFSFWIY-SCZZXKLOSA-N 2 2 265.317 -1.363 20 0 CAADLP CCN(CCC(N)=O)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160470595 779961385 /nfs/dbraw/zinc/96/13/85/779961385.db2.gz COLMCTKNWXLMFC-LPEHRKFASA-N 2 2 254.334 -1.340 20 0 CAADLP C[C@H]1C(=O)NCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160452006 779961582 /nfs/dbraw/zinc/96/15/82/779961582.db2.gz WPWGWRSCRGJXOQ-VIFPVBQESA-N 2 2 254.334 -1.325 20 0 CAADLP CCN(CCC(N)=O)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160470543 779961594 /nfs/dbraw/zinc/96/15/94/779961594.db2.gz AEAKHCVIJCRANX-JOYOIKCWSA-N 2 2 254.334 -1.338 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001160490947 779962434 /nfs/dbraw/zinc/96/24/34/779962434.db2.gz NHGJVKVTMSZCSK-YPMHNXCESA-N 3 2 282.388 -1.001 20 0 CAADLP CN(C)C(=O)CN(C)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160503704 779964234 /nfs/dbraw/zinc/96/42/34/779964234.db2.gz CIGPIFBTCZMAHN-NSHDSACASA-N 2 2 285.392 -1.717 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160530992 779964775 /nfs/dbraw/zinc/96/47/75/779964775.db2.gz DINHQVFTZLVGNW-NSHDSACASA-N 2 2 295.343 -1.403 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160548373 779965358 /nfs/dbraw/zinc/96/53/58/779965358.db2.gz DXECLWMBMIOJIL-APPZFPTMSA-N 2 2 251.290 -1.387 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160531118 779965594 /nfs/dbraw/zinc/96/55/94/779965594.db2.gz FTZMEMNECLFQJL-SDDRHHMPSA-N 2 2 296.371 -1.747 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160547959 779965634 /nfs/dbraw/zinc/96/56/34/779965634.db2.gz ARKWFJULHYSTCA-SCZZXKLOSA-N 2 2 265.317 -1.376 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160548374 779965677 /nfs/dbraw/zinc/96/56/77/779965677.db2.gz DXECLWMBMIOJIL-VXNVDRBHSA-N 2 2 251.290 -1.387 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001160595449 779966840 /nfs/dbraw/zinc/96/68/40/779966840.db2.gz BSDRFTGOZCLQFB-SNVBAGLBSA-N 2 2 285.344 -1.142 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160549691 779966871 /nfs/dbraw/zinc/96/68/71/779966871.db2.gz VKFUIESJVLJIBF-HNBLOZHYSA-N 2 2 252.318 -1.458 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160549601 779967196 /nfs/dbraw/zinc/96/71/96/779967196.db2.gz RLGWBPLLZHGMKM-VDDIYKPWSA-N 2 2 252.318 -1.728 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160596762 779968405 /nfs/dbraw/zinc/96/84/05/779968405.db2.gz VWIWVACFRABDQE-JTNHKYCSSA-N 2 2 297.355 -1.272 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCO1 ZINC001160595570 779968459 /nfs/dbraw/zinc/96/84/59/779968459.db2.gz FRPPEIZSLBOIEU-BBBLOLIVSA-N 2 2 271.317 -1.534 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160596262 779968556 /nfs/dbraw/zinc/96/85/56/779968556.db2.gz NFNFTVKYFIHFAR-BIAAXOCRSA-N 2 2 297.355 -1.001 20 0 CAADLP CCOC(=O)[C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001160597077 779968792 /nfs/dbraw/zinc/96/87/92/779968792.db2.gz YLNBYPDFGYQXQU-SNVBAGLBSA-N 2 2 285.344 -1.142 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636030 779969670 /nfs/dbraw/zinc/96/96/70/779969670.db2.gz GYJSJMGWBDYPOC-NSHDSACASA-N 2 2 292.343 -2.078 20 0 CAADLP CN1CCN(C2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C2)CC1=O ZINC001160637685 779970629 /nfs/dbraw/zinc/97/06/29/779970629.db2.gz VRWRTYXWIGOMDJ-QWRGUYRKSA-N 2 2 281.360 -2.482 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(C3CCOCC3)C(=O)C2)C1 ZINC001160637036 779970642 /nfs/dbraw/zinc/97/06/42/779970642.db2.gz IZVHPRUJBGTDQT-PWSUYJOCSA-N 2 2 296.371 -1.475 20 0 CAADLP CN1CCN(C2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)CC1=O ZINC001160638103 779970774 /nfs/dbraw/zinc/97/07/74/779970774.db2.gz ZKOZSKIUYFEASQ-KOLCDFICSA-N 2 2 281.360 -2.340 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640439 779970921 /nfs/dbraw/zinc/97/09/21/779970921.db2.gz BNDRKUHGXIREHT-ZJUUUORDSA-N 2 2 279.300 -1.058 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160637906 779971055 /nfs/dbraw/zinc/97/10/55/779971055.db2.gz QFGGRNHLSCNBEK-DCAQKATOSA-N 2 2 264.333 -1.012 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160637917 779971105 /nfs/dbraw/zinc/97/11/05/779971105.db2.gz QFGGRNHLSCNBEK-VWYCJHECSA-N 2 2 264.333 -1.012 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160643807 779972148 /nfs/dbraw/zinc/97/21/48/779972148.db2.gz NRJFXLLCKVMGEG-JFGNBEQYSA-N 3 2 254.334 -1.876 20 0 CAADLP O=C(N1CCN2C(=O)OC[C@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160640690 779972267 /nfs/dbraw/zinc/97/22/67/779972267.db2.gz LUIHYMCNSDWFSM-GIPNMCIBSA-N 2 2 280.328 -1.399 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160643804 779972326 /nfs/dbraw/zinc/97/23/26/779972326.db2.gz NRJFXLLCKVMGEG-JBLDHEPKSA-N 3 2 254.334 -1.876 20 0 CAADLP [NH3+]C1(C(=O)N2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC[NH2+]CC1 ZINC001160641237 779972358 /nfs/dbraw/zinc/97/23/58/779972358.db2.gz YOTZIDPJOUPJFO-UHFFFAOYSA-N 2 2 293.327 -1.147 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN3C(=O)OC[C@H]3C2)C1 ZINC001160641028 779972444 /nfs/dbraw/zinc/97/24/44/779972444.db2.gz UVKKZVWENNQMGB-HLTSFMKQSA-N 2 2 254.290 -1.661 20 0 CAADLP CN(CC1COC1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160647574 779973785 /nfs/dbraw/zinc/97/37/85/779973785.db2.gz NZTRXESVRZKHBD-LBPRGKRZSA-N 2 2 270.377 -1.158 20 0 CAADLP O=C(N1CCN2C(=O)CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160647384 779973959 /nfs/dbraw/zinc/97/39/59/779973959.db2.gz JYUZCUGSXLHHHM-GYSYKLTISA-N 2 2 278.356 -1.229 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652719 779974035 /nfs/dbraw/zinc/97/40/35/779974035.db2.gz JKWHPUUGQRFLBI-OUAUKWLOSA-N 3 2 267.333 -1.790 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1F ZINC001160649416 779974226 /nfs/dbraw/zinc/97/42/26/779974226.db2.gz KPNCOCRWOGXKOI-QUARPLMYSA-N 3 2 256.325 -1.166 20 0 CAADLP O=C(N1CCN2C(=O)CC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160647387 779974283 /nfs/dbraw/zinc/97/42/83/779974283.db2.gz JYUZCUGSXLHHHM-WDMOLILDSA-N 2 2 278.356 -1.229 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652407 779974330 /nfs/dbraw/zinc/97/43/30/779974330.db2.gz DGMFYSLTSMUBHF-OPRDCNLKSA-N 3 2 253.306 -1.800 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160662250 779975670 /nfs/dbraw/zinc/97/56/70/779975670.db2.gz WQMXLMYHQTZSQJ-SVRRBLITSA-N 2 2 262.335 -2.564 20 0 CAADLP O=C(N1[C@H]2COC[C@@H]1CC(=O)C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160660929 779975733 /nfs/dbraw/zinc/97/57/33/779975733.db2.gz LVXFBOIGALZMTA-DYNIEEOBSA-N 2 2 279.340 -1.103 20 0 CAADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160696324 779977467 /nfs/dbraw/zinc/97/74/67/779977467.db2.gz UZIWMAOQPHGBDY-BDAKNGLRSA-N 2 2 267.337 -1.473 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001160704780 779978089 /nfs/dbraw/zinc/97/80/89/779978089.db2.gz NYZHANNAPAAILT-MRVPVSSYSA-N 2 2 256.306 -2.220 20 0 CAADLP COC(=O)[C@H](C)N(C)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160718209 779978365 /nfs/dbraw/zinc/97/83/65/779978365.db2.gz FAPYNHQVFGVZKS-AUTRQRHGSA-N 2 2 255.318 -1.042 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705366 779978766 /nfs/dbraw/zinc/97/87/66/779978766.db2.gz WIUPZOCYLXCPIO-AEJSXWLSSA-N 2 2 255.318 -1.103 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705366 779978771 /nfs/dbraw/zinc/97/87/71/779978771.db2.gz WIUPZOCYLXCPIO-AEJSXWLSSA-N 2 2 255.318 -1.103 20 0 CAADLP COC(=O)[C@H](C)N(C)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160718210 779978960 /nfs/dbraw/zinc/97/89/60/779978960.db2.gz FAPYNHQVFGVZKS-HOTUBEGUSA-N 2 2 255.318 -1.042 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705171 779979009 /nfs/dbraw/zinc/97/90/09/779979009.db2.gz UCVRDYKYJYYWRL-VHSXEESVSA-N 2 2 281.316 -1.997 20 0 CAADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCc2[nH+]ccn2CC1 ZINC001160760449 779979533 /nfs/dbraw/zinc/97/95/33/779979533.db2.gz MTRRRTPOWQLMPV-KOLCDFICSA-N 2 2 250.302 -1.009 20 0 CAADLP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160747867 779979827 /nfs/dbraw/zinc/97/98/27/779979827.db2.gz XOYYQLJYJWPRAD-SRVKXCTJSA-N 2 2 298.387 -1.323 20 0 CAADLP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160747868 779980014 /nfs/dbraw/zinc/98/00/14/779980014.db2.gz XOYYQLJYJWPRAD-WOPDTQHZSA-N 2 2 298.387 -1.323 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(n2cnnc2)CC1 ZINC001160722111 779980065 /nfs/dbraw/zinc/98/00/65/779980065.db2.gz MPMDWXOORHQNJS-QWRGUYRKSA-N 2 2 264.333 -1.012 20 0 CAADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCc2[nH+]ccn2CC1 ZINC001160760450 779980242 /nfs/dbraw/zinc/98/02/42/779980242.db2.gz MTRRRTPOWQLMPV-ONGXEEELSA-N 2 2 250.302 -1.009 20 0 CAADLP [NH3+]C1(C(=O)N2CCC3(CC2)CNC(=O)CO3)CC[NH2+]CC1 ZINC001160772074 779981226 /nfs/dbraw/zinc/98/12/26/779981226.db2.gz NHWPWAWFWPECPH-UHFFFAOYSA-N 2 2 296.371 -1.425 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790632 779982062 /nfs/dbraw/zinc/98/20/62/779982062.db2.gz ROEODDTXDQPKRB-GUBZILKMSA-N 2 2 268.317 -2.397 20 0 CAADLP O=C(N1CCn2nncc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160832629 779982423 /nfs/dbraw/zinc/98/24/23/779982423.db2.gz LMKVFPBPXNYRDC-BXKDBHETSA-N 2 2 262.317 -1.428 20 0 CAADLP O=C(N1CCn2nncc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160832632 779982579 /nfs/dbraw/zinc/98/25/79/779982579.db2.gz LMKVFPBPXNYRDC-CABZTGNLSA-N 2 2 262.317 -1.428 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCn2nncc2C1 ZINC001160831552 779982910 /nfs/dbraw/zinc/98/29/10/779982910.db2.gz ARPLQBDRGIIBEE-INTQDDNPSA-N 2 2 262.317 -1.430 20 0 CAADLP O=C(N1CCn2nncc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160832634 779983038 /nfs/dbraw/zinc/98/30/38/779983038.db2.gz LMKVFPBPXNYRDC-JOYOIKCWSA-N 2 2 262.317 -1.428 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001160837696 779983574 /nfs/dbraw/zinc/98/35/74/779983574.db2.gz JFDPTKHGKAKNRG-BDAKNGLRSA-N 2 2 283.336 -2.142 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160839228 779983751 /nfs/dbraw/zinc/98/37/51/779983751.db2.gz RMMIAAWRWLFCLI-BYNQJWBRSA-N 3 2 282.388 -1.003 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160837207 779984126 /nfs/dbraw/zinc/98/41/26/779984126.db2.gz FIJKSGZWOWVPJN-SCRDCRAPSA-N 3 2 282.388 -1.273 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160839049 779984138 /nfs/dbraw/zinc/98/41/38/779984138.db2.gz MTXVBELOTPAEJP-MXWKQRLJSA-N 3 2 256.350 -1.535 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160837206 779984199 /nfs/dbraw/zinc/98/41/99/779984199.db2.gz FIJKSGZWOWVPJN-OUCADQQQSA-N 3 2 282.388 -1.273 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCN1C ZINC001160870251 779984205 /nfs/dbraw/zinc/98/42/05/779984205.db2.gz BCHNYUNQSCULAY-MJVIPROJSA-N 2 2 296.371 -1.747 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160839063 779984216 /nfs/dbraw/zinc/98/42/16/779984216.db2.gz MTXVBELOTPAEJP-VWYCJHECSA-N 3 2 256.350 -1.535 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCN1C ZINC001160870664 779985631 /nfs/dbraw/zinc/98/56/31/779985631.db2.gz IQOJGLDHMYJFJA-LPEHRKFASA-N 2 2 270.333 -2.151 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCN1C ZINC001160870666 779985688 /nfs/dbraw/zinc/98/56/88/779985688.db2.gz IRUYTJQDAXWBPY-PUHVVEEASA-N 2 2 296.371 -1.476 20 0 CAADLP COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001160901700 779986413 /nfs/dbraw/zinc/98/64/13/779986413.db2.gz FTXWQGOMQQHMMQ-IUCAKERBSA-N 2 2 293.327 -1.441 20 0 CAADLP O=C([C@@H]1COCC[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915905 779986592 /nfs/dbraw/zinc/98/65/92/779986592.db2.gz RDLPMUFFKOEQBH-JTQLQIEISA-N 2 2 263.301 -1.230 20 0 CAADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001160884915 779986653 /nfs/dbraw/zinc/98/66/53/779986653.db2.gz XIEOHCPRQBFCKS-QUARPLMYSA-N 2 2 267.329 -1.199 20 0 CAADLP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160942539 779987827 /nfs/dbraw/zinc/98/78/27/779987827.db2.gz UZXBUSAXYBVXPW-ONGXEEELSA-N 2 2 279.344 -1.021 20 0 CAADLP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160941963 779988061 /nfs/dbraw/zinc/98/80/61/779988061.db2.gz QMOBSNUHRQAZEL-JQWIXIFHSA-N 2 2 297.403 -1.574 20 0 CAADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160964533 779988687 /nfs/dbraw/zinc/98/86/87/779988687.db2.gz POOFUPWNYPOASZ-MPPDQPJWSA-N 3 2 252.362 -1.057 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999896 779988853 /nfs/dbraw/zinc/98/88/53/779988853.db2.gz MTBCKWATEJPDMK-RVMXOQNASA-N 3 2 294.399 -1.348 20 0 CAADLP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161000470 779989000 /nfs/dbraw/zinc/98/90/00/779989000.db2.gz TUXLDSFRDYTYIX-SLEUVZQESA-N 3 2 294.399 -1.347 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999523 779989540 /nfs/dbraw/zinc/98/95/40/779989540.db2.gz GRHRDFUUOXJKLF-VHSXEESVSA-N 2 2 285.344 -1.408 20 0 CAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001161035770 779990583 /nfs/dbraw/zinc/99/05/83/779990583.db2.gz ZVDGUIGWNGYEMX-QWRGUYRKSA-N 2 2 283.376 -1.787 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081430 779992469 /nfs/dbraw/zinc/99/24/69/779992469.db2.gz JXHLLAHKWVBAJN-SNVBAGLBSA-N 2 2 292.343 -1.047 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058163 779992869 /nfs/dbraw/zinc/99/28/69/779992869.db2.gz OYGGFBVVWNHREH-HRDYMLBCSA-N 2 2 267.337 -1.202 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C1(C)CC[NH2+]CC1 ZINC001161066931 779993021 /nfs/dbraw/zinc/99/30/21/779993021.db2.gz DRKUTZWRJLVPNS-QMMMGPOBSA-N 2 2 267.337 -1.330 20 0 CAADLP O=C(N1C[C@@H]2C[C@H]1C(=O)O2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161084306 779994702 /nfs/dbraw/zinc/99/47/02/779994702.db2.gz FNRRQGUZZDNUJK-PEFMBERDSA-N 2 2 251.286 -1.536 20 0 CAADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423977 780011803 /nfs/dbraw/zinc/01/18/03/780011803.db2.gz VCDSJNLHXFBXQT-GPHJXTMHSA-N 2 2 259.375 -1.001 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161093811 779995704 /nfs/dbraw/zinc/99/57/04/779995704.db2.gz XQVUGHZJLUUYCS-PUHVVEEASA-N 2 2 297.355 -1.001 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001161138525 779997036 /nfs/dbraw/zinc/99/70/36/779997036.db2.gz CAGGKJVMZIWUOU-GZMMTYOYSA-N 2 2 256.306 -2.349 20 0 CAADLP CCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)C1C[NH+](C)C1 ZINC001161137637 779997114 /nfs/dbraw/zinc/99/71/14/779997114.db2.gz FUEGZVXQJSKIDC-LLVKDONJSA-N 2 2 268.361 -1.521 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161138307 779997187 /nfs/dbraw/zinc/99/71/87/779997187.db2.gz RJXZNEMJFMFAGH-KCJUWKMLSA-N 3 2 258.322 -1.845 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001161138106 779997367 /nfs/dbraw/zinc/99/73/67/779997367.db2.gz NGEHOCWIZFBYLQ-NEPJUHHUSA-N 2 2 270.333 -1.830 20 0 CAADLP CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1C[NH+](C)C1 ZINC001161137746 779997686 /nfs/dbraw/zinc/99/76/86/779997686.db2.gz GRBYWHSNLIVDRA-WPRPVWTQSA-N 2 2 299.375 -2.144 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])COC(C)=O)C1 ZINC001161137698 779997715 /nfs/dbraw/zinc/99/77/15/779997715.db2.gz GHYKRCYLHLCVRX-KWQFWETISA-N 2 2 273.289 -2.020 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001161137757 779997863 /nfs/dbraw/zinc/99/78/63/779997863.db2.gz GTKJBZMLCYVZJK-GXFFZTMASA-N 2 2 295.343 -1.607 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138655 779997945 /nfs/dbraw/zinc/99/79/45/779997945.db2.gz CLGVSNJFGSPORZ-GWCFXTLKSA-N 3 2 286.376 -1.064 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161138306 779998026 /nfs/dbraw/zinc/99/80/26/779998026.db2.gz RJXZNEMJFMFAGH-GZMMTYOYSA-N 3 2 258.322 -1.845 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001161139270 779998561 /nfs/dbraw/zinc/99/85/61/779998561.db2.gz PSPORJMXJATLNS-CABZTGNLSA-N 2 2 271.317 -1.532 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138779 779998603 /nfs/dbraw/zinc/99/86/03/779998603.db2.gz ZCBVWTPRNRIVHR-NOZJJQNGSA-N 3 2 282.344 -2.102 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1 ZINC001161139040 779998790 /nfs/dbraw/zinc/99/87/90/779998790.db2.gz JQVBDGHUVGVESD-LAEOZQHASA-N 2 2 256.306 -2.364 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@]2(N)CC[NH2+]C2)C1 ZINC001161139151 779998917 /nfs/dbraw/zinc/99/89/17/779998917.db2.gz MCRVVJNMWDBQTD-MNOVXSKESA-N 2 2 256.306 -2.220 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138782 779998945 /nfs/dbraw/zinc/99/89/45/779998945.db2.gz ZCBVWTPRNRIVHR-ZANVPECISA-N 3 2 282.344 -2.102 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001161139652 779999020 /nfs/dbraw/zinc/99/90/20/779999020.db2.gz ZRAQTBSALIKYGK-LAEOZQHASA-N 2 2 257.290 -2.188 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001161153458 779999112 /nfs/dbraw/zinc/99/91/12/779999112.db2.gz IYANGQKOGPFYEN-QMMMGPOBSA-N 2 2 299.335 -2.190 20 0 CAADLP CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1C[NH+](C)C1 ZINC001161138760 779999295 /nfs/dbraw/zinc/99/92/95/779999295.db2.gz YODKNJNPZXNGSA-NSHDSACASA-N 3 2 252.362 -1.042 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001161138801 779999340 /nfs/dbraw/zinc/99/93/40/779999340.db2.gz ZJTMORMSERJWCF-DYNIEEOBSA-N 2 2 297.355 -1.144 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139428 779999364 /nfs/dbraw/zinc/99/93/64/779999364.db2.gz TXIXREHIPZKOSM-GWCFXTLKSA-N 3 2 284.360 -1.584 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161158661 780000313 /nfs/dbraw/zinc/00/03/13/780000313.db2.gz ZKJKPLOTMVWRBI-ZJUUUORDSA-N 3 2 272.349 -1.584 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161158410 780000524 /nfs/dbraw/zinc/00/05/24/780000524.db2.gz UUULUWNURKFXGW-UWVGGRQHSA-N 3 2 272.349 -1.726 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161158551 780000592 /nfs/dbraw/zinc/00/05/92/780000592.db2.gz WSFFRSXIMHQLGT-RISCZKNCSA-N 3 2 298.387 -1.322 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3ccnn3CC[C@H]2CO)C1 ZINC001161171802 780000648 /nfs/dbraw/zinc/00/06/48/780000648.db2.gz NGQDNXXUHFMVQJ-USWWRNFRSA-N 2 2 279.344 -1.335 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219567 780001842 /nfs/dbraw/zinc/00/18/42/780001842.db2.gz RCGIKQWTJLGRKK-VOQBNFLRSA-N 2 2 251.294 -2.254 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218885 780002085 /nfs/dbraw/zinc/00/20/85/780002085.db2.gz LETGSGCXUQNXRO-WHOHXGKFSA-N 3 2 263.345 -1.034 20 0 CAADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]2C1 ZINC001161174984 780002111 /nfs/dbraw/zinc/00/21/11/780002111.db2.gz HWTLUPMLSMFKJD-MXWKQRLJSA-N 2 2 293.375 -1.130 20 0 CAADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219092 780002251 /nfs/dbraw/zinc/00/22/51/780002251.db2.gz MUZWCQXMQDIIIU-KXTOZSSYSA-N 3 2 250.346 -1.116 20 0 CAADLP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001161174603 780002304 /nfs/dbraw/zinc/00/23/04/780002304.db2.gz APHINWZLPAKAJB-NSHDSACASA-N 3 2 272.393 -1.032 20 0 CAADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219652 780002341 /nfs/dbraw/zinc/00/23/41/780002341.db2.gz SGMKAIDLFJJDMV-ONYIWYLUSA-N 3 2 250.346 -1.386 20 0 CAADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219651 780002352 /nfs/dbraw/zinc/00/23/52/780002352.db2.gz SGMKAIDLFJJDMV-IIEKFROSSA-N 3 2 250.346 -1.386 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001161237720 780002782 /nfs/dbraw/zinc/00/27/82/780002782.db2.gz NTQMAOMWCASHGL-GXFFZTMASA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001161237720 780002793 /nfs/dbraw/zinc/00/27/93/780002793.db2.gz NTQMAOMWCASHGL-GXFFZTMASA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161236039 780002878 /nfs/dbraw/zinc/00/28/78/780002878.db2.gz AGRYQFPQPBPJNZ-NSHDSACASA-N 2 2 284.360 -1.793 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1 ZINC001161236039 780002887 /nfs/dbraw/zinc/00/28/87/780002887.db2.gz AGRYQFPQPBPJNZ-NSHDSACASA-N 2 2 284.360 -1.793 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161236811 780002904 /nfs/dbraw/zinc/00/29/04/780002904.db2.gz GUCMPRWIEJOJPX-NXEZZACHSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161236811 780002913 /nfs/dbraw/zinc/00/29/13/780002913.db2.gz GUCMPRWIEJOJPX-NXEZZACHSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161237714 780002946 /nfs/dbraw/zinc/00/29/46/780002946.db2.gz NRUPCYFXUYXUNB-CABZTGNLSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161237714 780002957 /nfs/dbraw/zinc/00/29/57/780002957.db2.gz NRUPCYFXUYXUNB-CABZTGNLSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001161237524 780003032 /nfs/dbraw/zinc/00/30/32/780003032.db2.gz LRKJDQFXTQXDFB-MNOVXSKESA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001161237524 780003039 /nfs/dbraw/zinc/00/30/39/780003039.db2.gz LRKJDQFXTQXDFB-MNOVXSKESA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001161237589 780003306 /nfs/dbraw/zinc/00/33/06/780003306.db2.gz MZFRURYYBVHTNB-GUBZILKMSA-N 2 2 270.333 -2.151 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001161237589 780003317 /nfs/dbraw/zinc/00/33/17/780003317.db2.gz MZFRURYYBVHTNB-GUBZILKMSA-N 2 2 270.333 -2.151 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001161236591 780003490 /nfs/dbraw/zinc/00/34/90/780003490.db2.gz FXZVGNWVKBYXCR-BDAKNGLRSA-N 2 2 259.306 -1.988 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](O)C[NH3+] ZINC001161236591 780003496 /nfs/dbraw/zinc/00/34/96/780003496.db2.gz FXZVGNWVKBYXCR-BDAKNGLRSA-N 2 2 259.306 -1.988 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161236792 780003522 /nfs/dbraw/zinc/00/35/22/780003522.db2.gz GOUDNJDSEJQGJK-ZRUFSTJUSA-N 2 2 267.329 -1.233 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001161236792 780003532 /nfs/dbraw/zinc/00/35/32/780003532.db2.gz GOUDNJDSEJQGJK-ZRUFSTJUSA-N 2 2 267.329 -1.233 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001161237526 780004033 /nfs/dbraw/zinc/00/40/33/780004033.db2.gz LRKJDQFXTQXDFB-WDEREUQCSA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001161237526 780004037 /nfs/dbraw/zinc/00/40/37/780004037.db2.gz LRKJDQFXTQXDFB-WDEREUQCSA-N 2 2 285.344 -1.320 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001161237722 780004476 /nfs/dbraw/zinc/00/44/76/780004476.db2.gz NTQMAOMWCASHGL-ZWNOBZJWSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001161237722 780004471 /nfs/dbraw/zinc/00/44/71/780004471.db2.gz NTQMAOMWCASHGL-ZWNOBZJWSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161237198 780004244 /nfs/dbraw/zinc/00/42/44/780004244.db2.gz IWDLRZRAJMLSLR-JTQLQIEISA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161237735 780004262 /nfs/dbraw/zinc/00/42/62/780004262.db2.gz OCVYAADQLJOCPV-KXUCPTDWSA-N 2 2 270.333 -2.009 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001161237721 780004294 /nfs/dbraw/zinc/00/42/94/780004294.db2.gz NTQMAOMWCASHGL-MFKMUULPSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001161237721 780004297 /nfs/dbraw/zinc/00/42/97/780004297.db2.gz NTQMAOMWCASHGL-MFKMUULPSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161239256 780004320 /nfs/dbraw/zinc/00/43/20/780004320.db2.gz YOBVUMIIMKFVDY-YFKTTZPYSA-N 2 2 296.371 -1.748 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234330 780004331 /nfs/dbraw/zinc/00/43/31/780004331.db2.gz APHHNABTSGDSFC-VWYCJHECSA-N 2 2 264.333 -1.012 20 0 CAADLP COC(=O)[C@H]1CN(C)CCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161237199 780004361 /nfs/dbraw/zinc/00/43/61/780004361.db2.gz IWDLRZRAJMLSLR-SNVBAGLBSA-N 2 2 284.360 -1.617 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161236813 780004487 /nfs/dbraw/zinc/00/44/87/780004487.db2.gz GUCMPRWIEJOJPX-UWVGGRQHSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161236813 780004494 /nfs/dbraw/zinc/00/44/94/780004494.db2.gz GUCMPRWIEJOJPX-UWVGGRQHSA-N 3 2 272.349 -1.632 20 0 CAADLP Cc1ccnc(N2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)n1 ZINC001161303476 780007612 /nfs/dbraw/zinc/00/76/12/780007612.db2.gz DWFSPTOWDVEPHC-RYUDHWBXSA-N 2 2 290.371 -1.020 20 0 CAADLP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161373298 780008221 /nfs/dbraw/zinc/00/82/21/780008221.db2.gz NXKKVELEUPMVMO-VDDIYKPWSA-N 2 2 271.317 -1.534 20 0 CAADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)CC1 ZINC001161377108 780009777 /nfs/dbraw/zinc/00/97/77/780009777.db2.gz FLIBJQURYZJYIF-AGIUHOORSA-N 3 2 282.388 -1.267 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161374524 780010385 /nfs/dbraw/zinc/01/03/85/780010385.db2.gz WLBJBYLJVDGBCD-AUTRQRHGSA-N 2 2 271.317 -1.676 20 0 CAADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)CC1 ZINC001161377119 780010547 /nfs/dbraw/zinc/01/05/47/780010547.db2.gz FLIBJQURYZJYIF-AVGNSLFASA-N 3 2 282.388 -1.267 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389178 780010692 /nfs/dbraw/zinc/01/06/92/780010692.db2.gz OUBSSKXNRVBNKP-AGIUHOORSA-N 3 2 282.388 -1.144 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161374545 780010708 /nfs/dbraw/zinc/01/07/08/780010708.db2.gz XMYXPEKHRYTQAU-LEWSCRJBSA-N 2 2 297.355 -1.272 20 0 CAADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)CC1 ZINC001161377968 780010725 /nfs/dbraw/zinc/01/07/25/780010725.db2.gz JRUTZRRVMSVQIH-AVGNSLFASA-N 3 2 282.388 -1.267 20 0 CAADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423977 780011798 /nfs/dbraw/zinc/01/17/98/780011798.db2.gz VCDSJNLHXFBXQT-GPHJXTMHSA-N 2 2 259.375 -1.001 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416555 780012142 /nfs/dbraw/zinc/01/21/42/780012142.db2.gz IVRJPIKBPFPRJO-UWVGGRQHSA-N 2 2 266.345 -1.196 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412181 780012773 /nfs/dbraw/zinc/01/27/73/780012773.db2.gz HGCZKPFYOQCWIF-XAVMHZPKSA-N 2 2 265.321 -1.735 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424054 780014458 /nfs/dbraw/zinc/01/44/58/780014458.db2.gz XMNZBYBCJRFWEM-CHWSQXEVSA-N 3 2 281.404 -1.347 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424054 780014465 /nfs/dbraw/zinc/01/44/65/780014465.db2.gz XMNZBYBCJRFWEM-CHWSQXEVSA-N 3 2 281.404 -1.347 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424056 780014558 /nfs/dbraw/zinc/01/45/58/780014558.db2.gz XMNZBYBCJRFWEM-QWHCGFSZSA-N 3 2 281.404 -1.347 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424056 780014564 /nfs/dbraw/zinc/01/45/64/780014564.db2.gz XMNZBYBCJRFWEM-QWHCGFSZSA-N 3 2 281.404 -1.347 20 0 CAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001161476453 780016060 /nfs/dbraw/zinc/01/60/60/780016060.db2.gz AXJFYPHJGCYICU-DYNIEEOBSA-N 3 2 296.371 -1.571 20 0 CAADLP [NH3+]C1(C(=O)N2C[C@@H]3COC[C@H](C2)C3=O)CC[NH2+]CC1 ZINC001161492024 780017389 /nfs/dbraw/zinc/01/73/89/780017389.db2.gz LXSCJXXDNRSMNU-AOOOYVTPSA-N 2 2 267.329 -1.259 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498545 780017415 /nfs/dbraw/zinc/01/74/15/780017415.db2.gz JVOGMKVOZXEHLQ-HUBLWGQQSA-N 3 2 294.399 -1.131 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1)[C@H]1CCOC1 ZINC001161498545 780017422 /nfs/dbraw/zinc/01/74/22/780017422.db2.gz JVOGMKVOZXEHLQ-HUBLWGQQSA-N 3 2 294.399 -1.131 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001161492308 780017571 /nfs/dbraw/zinc/01/75/71/780017571.db2.gz NGVIXIDDPHCZRA-GUDRVLHUSA-N 3 2 254.334 -1.878 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161499029 780018517 /nfs/dbraw/zinc/01/85/17/780018517.db2.gz MUMDWQJZCBXIPY-SCVCMEIPSA-N 3 2 268.361 -1.393 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161499029 780018528 /nfs/dbraw/zinc/01/85/28/780018528.db2.gz MUMDWQJZCBXIPY-SCVCMEIPSA-N 3 2 268.361 -1.393 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC12COC2 ZINC001161507931 780018684 /nfs/dbraw/zinc/01/86/84/780018684.db2.gz BZSVJPLRLRYJMU-CWSCBRNRSA-N 3 2 266.345 -1.876 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499138 780018729 /nfs/dbraw/zinc/01/87/29/780018729.db2.gz FYBAAMWWKZUQLT-BQBZGAKWSA-N 2 2 267.293 -2.744 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161501157 780019278 /nfs/dbraw/zinc/01/92/78/780019278.db2.gz UCAUGRUMPCVDFF-WDEREUQCSA-N 3 2 279.344 -1.524 20 0 CAADLP C[C@@H]1CN(C2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)C[C@H](C)O1 ZINC001161500312 780019460 /nfs/dbraw/zinc/01/94/60/780019460.db2.gz VUNZXDJHPRVBIP-XZUYRWCXSA-N 2 2 282.388 -1.004 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499339 780019966 /nfs/dbraw/zinc/01/99/66/780019966.db2.gz FYBAAMWWKZUQLT-NKWVEPMBSA-N 2 2 267.293 -2.744 20 0 CAADLP C[N@H+](C1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1)[C@H]1CCOC1 ZINC001161499003 780020075 /nfs/dbraw/zinc/02/00/75/780020075.db2.gz LVCNRSGRJVQIQA-AUZPSNTRSA-N 3 2 294.399 -1.132 20 0 CAADLP C[N@@H+](C1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1)[C@H]1CCOC1 ZINC001161499003 780020083 /nfs/dbraw/zinc/02/00/83/780020083.db2.gz LVCNRSGRJVQIQA-AUZPSNTRSA-N 3 2 294.399 -1.132 20 0 CAADLP O=C(N1CC[NH2+]C2(CC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161544870 780021420 /nfs/dbraw/zinc/02/14/20/780021420.db2.gz HJGLNKOUALLOJO-GXFFZTMASA-N 3 2 250.346 -1.098 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC12COC2 ZINC001161510865 780021448 /nfs/dbraw/zinc/02/14/48/780021448.db2.gz UDXDAUQBLWZLHE-UKKRHICBSA-N 3 2 266.345 -1.878 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C2)C1 ZINC001161532089 780021659 /nfs/dbraw/zinc/02/16/59/780021659.db2.gz MZDSLDVKXKKDKD-BREBYQMCSA-N 3 2 250.346 -1.018 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C2)C1 ZINC001161532089 780021666 /nfs/dbraw/zinc/02/16/66/780021666.db2.gz MZDSLDVKXKKDKD-BREBYQMCSA-N 2 2 250.346 -1.018 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2)C1 ZINC001161532358 780021943 /nfs/dbraw/zinc/02/19/43/780021943.db2.gz QVJVHMHGJCGADQ-XYZCENFISA-N 2 2 259.375 -1.144 20 0 CAADLP COC(=O)CC[C@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161571488 780022497 /nfs/dbraw/zinc/02/24/97/780022497.db2.gz UWXWGHVUUASBMN-DCAQKATOSA-N 2 2 285.344 -1.286 20 0 CAADLP COCCOC1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161571978 780022758 /nfs/dbraw/zinc/02/27/58/780022758.db2.gz YFNOPYAZVWVELJ-GWCFXTLKSA-N 2 2 269.345 -1.188 20 0 CAADLP COC(=O)CC[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161571489 780022819 /nfs/dbraw/zinc/02/28/19/780022819.db2.gz UWXWGHVUUASBMN-VWYCJHECSA-N 2 2 285.344 -1.286 20 0 CAADLP COCCOC1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161571983 780023140 /nfs/dbraw/zinc/02/31/40/780023140.db2.gz YFNOPYAZVWVELJ-ZWNOBZJWSA-N 2 2 269.345 -1.188 20 0 CAADLP Cc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc(N(C)C)[nH+]1 ZINC001162435191 780032099 /nfs/dbraw/zinc/03/20/99/780032099.db2.gz BJAMQTKVRBQIRI-SRVKXCTJSA-N 2 2 278.364 -1.652 20 0 CAADLP Cc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc(N(C)C)[nH+]1 ZINC001162435193 780032190 /nfs/dbraw/zinc/03/21/90/780032190.db2.gz BJAMQTKVRBQIRI-WOPDTQHZSA-N 2 2 278.364 -1.652 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncc3c(n2)C[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162440301 780042499 /nfs/dbraw/zinc/04/24/99/780042499.db2.gz QPEHDXMEYJQZDZ-IVZWLZJFSA-N 2 2 262.321 -2.423 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001163043914 780054550 /nfs/dbraw/zinc/05/45/50/780054550.db2.gz BUKTVPQSIYTZLF-UHFFFAOYSA-N 2 2 267.333 -1.066 20 0 CAADLP [NH3+]Cc1nccnc1NC[C@]1(CO)COCC[NH2+]1 ZINC001164046511 780068386 /nfs/dbraw/zinc/06/83/86/780068386.db2.gz MCLDTWVUOOVHOZ-NSHDSACASA-N 2 2 253.306 -1.302 20 0 CAADLP NC(=O)[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[NH2+]1 ZINC001166725434 780095962 /nfs/dbraw/zinc/09/59/62/780095962.db2.gz MQDGZKLZEIJOEO-SNVBAGLBSA-N 2 2 292.343 -1.423 20 0 CAADLP NC(=O)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[NH2+]1 ZINC001166725433 780096456 /nfs/dbraw/zinc/09/64/56/780096456.db2.gz MQDGZKLZEIJOEO-JTQLQIEISA-N 2 2 292.343 -1.423 20 0 CAADLP CO[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377135 780145027 /nfs/dbraw/zinc/14/50/27/780145027.db2.gz ZQCZWQXYGYBOAD-IJLUTSLNSA-N 2 2 298.387 -1.358 20 0 CAADLP CO[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213377135 780145035 /nfs/dbraw/zinc/14/50/35/780145035.db2.gz ZQCZWQXYGYBOAD-IJLUTSLNSA-N 2 2 298.387 -1.358 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000405094360 780159965 /nfs/dbraw/zinc/15/99/65/780159965.db2.gz IOODHFISECNHJK-VIFPVBQESA-N 2 2 262.379 -1.877 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000405094360 780159966 /nfs/dbraw/zinc/15/99/66/780159966.db2.gz IOODHFISECNHJK-VIFPVBQESA-N 2 2 262.379 -1.877 20 0 CAADLP Cn1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ncnc1-2 ZINC001218494741 780164279 /nfs/dbraw/zinc/16/42/79/780164279.db2.gz MBKKWYFXVIHNLX-BQBZGAKWSA-N 2 2 261.289 -1.200 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515768 780166727 /nfs/dbraw/zinc/16/67/27/780166727.db2.gz LTYRDODZJGOWBN-LURJTMIESA-N 2 2 273.260 -1.021 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nccnc1N1CCOCC1 ZINC001218570777 780171748 /nfs/dbraw/zinc/17/17/48/780171748.db2.gz OURWKXOZPKKICD-UWVGGRQHSA-N 2 2 292.343 -1.202 20 0 CAADLP Nc1c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=O)c1=O ZINC001218589093 780172952 /nfs/dbraw/zinc/17/29/52/780172952.db2.gz RRVQLHBLMQMCFT-NWWTUURKSA-N 2 2 250.258 -1.975 20 0 CAADLP COC(=O)c1cncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218580830 780173693 /nfs/dbraw/zinc/17/36/93/780173693.db2.gz XTXBTSDRTIQXGG-BQBZGAKWSA-N 2 2 265.273 -1.252 20 0 CAADLP NC(=O)c1nccnc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218616920 780174842 /nfs/dbraw/zinc/17/48/42/780174842.db2.gz BEINKVLHPXXGFS-SSDOTTSWSA-N 2 2 275.272 -1.193 20 0 CAADLP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218622950 780176433 /nfs/dbraw/zinc/17/64/33/780176433.db2.gz ZNRVRCNLRQIZCR-XINAWCOVSA-N 2 2 256.697 -1.072 20 0 CAADLP CSc1[nH]nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1C(N)=O ZINC001218639218 780178084 /nfs/dbraw/zinc/17/80/84/780178084.db2.gz ZTLMVQMSZMWBII-BYPYZUCNSA-N 2 2 272.334 -1.155 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652622 780178563 /nfs/dbraw/zinc/17/85/63/780178563.db2.gz MFOXDDOSIFMLGP-JTQLQIEISA-N 2 2 280.332 -1.129 20 0 CAADLP COc1ncnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1OC ZINC001218653484 780178757 /nfs/dbraw/zinc/17/87/57/780178757.db2.gz UAZLIYOEZLUYCM-BQBZGAKWSA-N 2 2 267.289 -1.021 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218641951 780179008 /nfs/dbraw/zinc/17/90/08/780179008.db2.gz ZBLIPSCYZUSOMJ-XVKPBYJWSA-N 3 2 250.306 -1.345 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2[nH]c(=O)[nH]c(=O)c2N=O)C1 ZINC001218670902 780180409 /nfs/dbraw/zinc/18/04/09/780180409.db2.gz KENWNTMJXZACNO-DMTCNVIQSA-N 2 2 268.233 -1.087 20 0 CAADLP N[C@@H](C[NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668782 780180512 /nfs/dbraw/zinc/18/05/12/780180512.db2.gz HYVWGUVIQYVXOB-NSHDSACASA-N 2 2 282.348 -1.560 20 0 CAADLP CCOc1cc(N)n(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=N)n1 ZINC001218681455 780180971 /nfs/dbraw/zinc/18/09/71/780180971.db2.gz VLKFTRKIERTEPN-RQJHMYQMSA-N 2 2 266.305 -1.327 20 0 CAADLP Nc1cn(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)ccc1=[NH2+] ZINC001218693477 780181295 /nfs/dbraw/zinc/18/12/95/780181295.db2.gz MCJVBYUPMBYKCL-GFCCVEGCSA-N 3 2 278.360 -1.060 20 0 CAADLP CCOc1cc(N)n(C(=O)[C@@H]([NH3+])CC[NH3+])c(=N)n1 ZINC001218681217 780181757 /nfs/dbraw/zinc/18/17/57/780181757.db2.gz SCFLGTJXGUXSLZ-LURJTMIESA-N 2 2 254.294 -1.340 20 0 CAADLP CN=c1c(N)cc(Cl)nn1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218743408 780182545 /nfs/dbraw/zinc/18/25/45/780182545.db2.gz UGTUQBYVYJDNQI-FSPLSTOPSA-N 2 2 270.724 -1.164 20 0 CAADLP Cc1cnn(CCO)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218749346 780182584 /nfs/dbraw/zinc/18/25/84/780182584.db2.gz ANUCAJBSJGRPMP-IUCAKERBSA-N 2 2 253.306 -1.331 20 0 CAADLP Cc1cnn(CCO)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218749581 780183110 /nfs/dbraw/zinc/18/31/10/780183110.db2.gz FYMJXIOGCQUHFY-BDAKNGLRSA-N 2 2 253.306 -1.188 20 0 CAADLP CCc1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C(N)=O)nn1C ZINC001218787455 780184041 /nfs/dbraw/zinc/18/40/41/780184041.db2.gz BZKSTQLHOLGOIQ-RQJHMYQMSA-N 2 2 280.332 -1.291 20 0 CAADLP C[NH+](C)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219553568 780228474 /nfs/dbraw/zinc/22/84/74/780228474.db2.gz AOFSLMRLUDQDLA-LLVKDONJSA-N 3 2 257.382 -1.585 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219552640 780229604 /nfs/dbraw/zinc/22/96/04/780229604.db2.gz FOBAZFNPIRPVTD-ZJUUUORDSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219552640 780229611 /nfs/dbraw/zinc/22/96/11/780229611.db2.gz FOBAZFNPIRPVTD-ZJUUUORDSA-N 2 2 268.317 -1.504 20 0 CAADLP COCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219557459 780231001 /nfs/dbraw/zinc/23/10/01/780231001.db2.gz AMZVGBHYXNYQIZ-NSHDSACASA-N 2 2 258.366 -1.111 20 0 CAADLP NC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219561770 780231068 /nfs/dbraw/zinc/23/10/68/780231068.db2.gz OWLLPZJDMHTQIK-ZJUUUORDSA-N 2 2 254.334 -1.338 20 0 CAADLP NC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219561770 780231073 /nfs/dbraw/zinc/23/10/73/780231073.db2.gz OWLLPZJDMHTQIK-ZJUUUORDSA-N 2 2 254.334 -1.338 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CCCCC1=O ZINC001219569315 780231670 /nfs/dbraw/zinc/23/16/70/780231670.db2.gz LDMVKHYTVMUCIT-UWVGGRQHSA-N 2 2 254.334 -1.338 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCn1ccnn1 ZINC001219565646 780231986 /nfs/dbraw/zinc/23/19/86/780231986.db2.gz LHOIMQYFUHKRDU-LLVKDONJSA-N 2 2 281.364 -1.855 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCn1cc[nH+]c1 ZINC001219564307 780232131 /nfs/dbraw/zinc/23/21/31/780232131.db2.gz XRZPNFLCRBKVDF-IUCAKERBSA-N 2 2 269.305 -2.176 20 0 CAADLP O=C(CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCOCC1 ZINC001219573742 780233496 /nfs/dbraw/zinc/23/34/96/780233496.db2.gz TXALQEPVDPYUIF-SDDRHHMPSA-N 2 2 296.371 -1.699 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219572936 780233541 /nfs/dbraw/zinc/23/35/41/780233541.db2.gz CHDOOVWKYHJGES-NSHDSACASA-N 2 2 295.343 -1.355 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219595664 780235254 /nfs/dbraw/zinc/23/52/54/780235254.db2.gz KCJAHMVCPVKZGZ-ZETCQYMHSA-N 3 2 284.407 -2.248 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])CC(F)F ZINC001219595868 780236581 /nfs/dbraw/zinc/23/65/81/780236581.db2.gz UECNIKAZWQRAJW-YFKPBYRVSA-N 2 2 259.278 -1.284 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219595960 780236860 /nfs/dbraw/zinc/23/68/60/780236860.db2.gz YAFXOQPULRWXFS-BQBZGAKWSA-N 3 2 250.324 -2.720 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCS(C)(=O)=O ZINC001219607977 780238440 /nfs/dbraw/zinc/23/84/40/780238440.db2.gz JYMAORDWVZJDSQ-VIFPVBQESA-N 2 2 274.346 -1.549 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H](CO)n1cc[nH+]c1 ZINC001219616055 780238537 /nfs/dbraw/zinc/23/85/37/780238537.db2.gz NICUGXFJTKKSMR-JBLDHEPKSA-N 2 2 286.307 -1.405 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219617743 780239525 /nfs/dbraw/zinc/23/95/25/780239525.db2.gz OSIJMXCBOYRVBQ-LYIQGSDWSA-N 3 2 286.351 -1.883 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219617741 780239625 /nfs/dbraw/zinc/23/96/25/780239625.db2.gz OSIJMXCBOYRVBQ-DNIRFERGSA-N 3 2 286.351 -1.883 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219617739 780239905 /nfs/dbraw/zinc/23/99/05/780239905.db2.gz OSIJMXCBOYRVBQ-DJIHRAIXSA-N 3 2 286.351 -1.883 20 0 CAADLP [NH3+]C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]CC1 ZINC001219619420 780241297 /nfs/dbraw/zinc/24/12/97/780241297.db2.gz HOEYNWDHMZIQKV-JOYOIKCWSA-N 3 2 274.340 -1.754 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219619595 780241548 /nfs/dbraw/zinc/24/15/48/780241548.db2.gz LFUDWDGXIGYDIC-UYAYMFIHSA-N 3 2 260.313 -2.146 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c1 ZINC001219632516 780243792 /nfs/dbraw/zinc/24/37/92/780243792.db2.gz ODQJOCPJHDQHOT-LLVKDONJSA-N 2 2 279.344 -1.591 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)CN2CC[NH2+]CC2)c1 ZINC000313272333 780245172 /nfs/dbraw/zinc/24/51/72/780245172.db2.gz WUZHWRGWQJAEFR-UHFFFAOYSA-N 2 2 251.334 -1.016 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219693968 780245778 /nfs/dbraw/zinc/24/57/78/780245778.db2.gz BOYWTZQMWVJLNH-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219693968 780245785 /nfs/dbraw/zinc/24/57/85/780245785.db2.gz BOYWTZQMWVJLNH-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219642261 780245930 /nfs/dbraw/zinc/24/59/30/780245930.db2.gz QUGMVCKYCRMGDQ-HLTSFMKQSA-N 2 2 267.337 -1.569 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001219671829 780246917 /nfs/dbraw/zinc/24/69/17/780246917.db2.gz RMMLGZKAJWYPRA-JTQLQIEISA-N 2 2 275.374 -1.369 20 0 CAADLP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1COC[NH2+]1 ZINC001219676278 780247037 /nfs/dbraw/zinc/24/70/37/780247037.db2.gz DMYUVGLVFTXGSB-VIFPVBQESA-N 2 2 292.361 -2.717 20 0 CAADLP CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219676285 780247238 /nfs/dbraw/zinc/24/72/38/780247238.db2.gz DSHRMOVTGBYORE-SFYZADRCSA-N 2 2 281.316 -1.108 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694160 780248522 /nfs/dbraw/zinc/24/85/22/780248522.db2.gz FYWLTHRDFSEARF-NEPJUHHUSA-N 3 2 270.377 -1.240 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694160 780248528 /nfs/dbraw/zinc/24/85/28/780248528.db2.gz FYWLTHRDFSEARF-NEPJUHHUSA-N 3 2 270.377 -1.240 20 0 CAADLP NC(=O)C1(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001219681937 780249211 /nfs/dbraw/zinc/24/92/11/780249211.db2.gz FOTGZQVCQYTYFO-VIFPVBQESA-N 2 2 269.349 -2.129 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694161 780249231 /nfs/dbraw/zinc/24/92/31/780249231.db2.gz FYWLTHRDFSEARF-NWDGAFQWSA-N 3 2 270.377 -1.240 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694161 780249239 /nfs/dbraw/zinc/24/92/39/780249239.db2.gz FYWLTHRDFSEARF-NWDGAFQWSA-N 3 2 270.377 -1.240 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219695100 780249827 /nfs/dbraw/zinc/24/98/27/780249827.db2.gz PUVBFOKAGWKWIY-YRGRVCCFSA-N 3 2 282.388 -1.368 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219695100 780249831 /nfs/dbraw/zinc/24/98/31/780249831.db2.gz PUVBFOKAGWKWIY-YRGRVCCFSA-N 3 2 282.388 -1.368 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695470 780249852 /nfs/dbraw/zinc/24/98/52/780249852.db2.gz USTZOBWWOZKJSR-GHMZBOCLSA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695470 780249857 /nfs/dbraw/zinc/24/98/57/780249857.db2.gz USTZOBWWOZKJSR-GHMZBOCLSA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219695097 780249958 /nfs/dbraw/zinc/24/99/58/780249958.db2.gz PUVBFOKAGWKWIY-MBNYWOFBSA-N 3 2 282.388 -1.368 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219695097 780249962 /nfs/dbraw/zinc/24/99/62/780249962.db2.gz PUVBFOKAGWKWIY-MBNYWOFBSA-N 3 2 282.388 -1.368 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219695749 780250108 /nfs/dbraw/zinc/25/01/08/780250108.db2.gz XRBVHCHTPFWATP-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001219695749 780250112 /nfs/dbraw/zinc/25/01/12/780250112.db2.gz XRBVHCHTPFWATP-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219696200 780250756 /nfs/dbraw/zinc/25/07/56/780250756.db2.gz CCJDNQSHZDXRIE-CABZTGNLSA-N 3 2 254.334 -2.222 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219694938 780250798 /nfs/dbraw/zinc/25/07/98/780250798.db2.gz NYOBPBOZEACOQG-FIQHERPVSA-N 2 2 268.361 -1.617 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219694938 780250804 /nfs/dbraw/zinc/25/08/04/780250804.db2.gz NYOBPBOZEACOQG-FIQHERPVSA-N 2 2 268.361 -1.617 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695827 780250885 /nfs/dbraw/zinc/25/08/85/780250885.db2.gz ZJKZBSUIIYHSCB-GUBZILKMSA-N 2 2 288.348 -2.743 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695827 780250888 /nfs/dbraw/zinc/25/08/88/780250888.db2.gz ZJKZBSUIIYHSCB-GUBZILKMSA-N 2 2 288.348 -2.743 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694162 780251096 /nfs/dbraw/zinc/25/10/96/780251096.db2.gz FYWLTHRDFSEARF-RYUDHWBXSA-N 3 2 270.377 -1.240 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694162 780251100 /nfs/dbraw/zinc/25/11/00/780251100.db2.gz FYWLTHRDFSEARF-RYUDHWBXSA-N 3 2 270.377 -1.240 20 0 CAADLP CS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])nc1 ZINC001219716101 780251938 /nfs/dbraw/zinc/25/19/38/780251938.db2.gz AOJFNSVSSYTMDW-JTQLQIEISA-N 2 2 286.357 -1.223 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739702 780255104 /nfs/dbraw/zinc/25/51/04/780255104.db2.gz VOOQTYRXUWWADC-UTLUCORTSA-N 3 2 254.334 -1.972 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737240 780255143 /nfs/dbraw/zinc/25/51/43/780255143.db2.gz QZQFEEGIDLTRAN-IUCAKERBSA-N 2 2 271.317 -1.629 20 0 CAADLP [NH3+]C1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]CC1 ZINC001219737042 780255164 /nfs/dbraw/zinc/25/51/64/780255164.db2.gz NKZMRPWIVKTNDF-SNVBAGLBSA-N 3 2 268.361 -1.438 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739701 780255595 /nfs/dbraw/zinc/25/55/95/780255595.db2.gz VOOQTYRXUWWADC-GUBZILKMSA-N 3 2 254.334 -1.972 20 0 CAADLP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219737277 780255729 /nfs/dbraw/zinc/25/57/29/780255729.db2.gz RUPKCBQVZRMEOA-SUNKGSAMSA-N 3 2 280.372 -1.567 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737553 780255979 /nfs/dbraw/zinc/25/59/79/780255979.db2.gz YZKMHYOGVPJUKL-BBBLOLIVSA-N 3 2 254.334 -1.830 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736927 780255985 /nfs/dbraw/zinc/25/59/85/780255985.db2.gz LCMVLPZMZNLTKE-SFYZADRCSA-N 2 2 281.320 -2.436 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764202 780258151 /nfs/dbraw/zinc/25/81/51/780258151.db2.gz ANVLDTOIFGWNAT-WOPDTQHZSA-N 2 2 298.387 -1.323 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764202 780258154 /nfs/dbraw/zinc/25/81/54/780258154.db2.gz ANVLDTOIFGWNAT-WOPDTQHZSA-N 2 2 298.387 -1.323 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764202 780258157 /nfs/dbraw/zinc/25/81/57/780258157.db2.gz ANVLDTOIFGWNAT-WOPDTQHZSA-N 2 2 298.387 -1.323 20 0 CAADLP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766492 780259031 /nfs/dbraw/zinc/25/90/31/780259031.db2.gz URWSEAUBHVPYLK-NEPJUHHUSA-N 3 2 269.393 -1.665 20 0 CAADLP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766492 780259041 /nfs/dbraw/zinc/25/90/41/780259041.db2.gz URWSEAUBHVPYLK-NEPJUHHUSA-N 3 2 269.393 -1.665 20 0 CAADLP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766492 780259049 /nfs/dbraw/zinc/25/90/49/780259049.db2.gz URWSEAUBHVPYLK-NEPJUHHUSA-N 3 2 269.393 -1.665 20 0 CAADLP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219799673 780260545 /nfs/dbraw/zinc/26/05/45/780260545.db2.gz ANPVPVVDBMUUQK-ZDEQEGDKSA-N 3 2 294.399 -1.179 20 0 CAADLP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219799672 780261566 /nfs/dbraw/zinc/26/15/66/780261566.db2.gz ANPVPVVDBMUUQK-QNWHQSFQSA-N 3 2 294.399 -1.179 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801320 780262487 /nfs/dbraw/zinc/26/24/87/780262487.db2.gz XRKOTASSHOSLKY-DCAQKATOSA-N 3 2 268.361 -1.582 20 0 CAADLP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219812903 780262429 /nfs/dbraw/zinc/26/24/29/780262429.db2.gz KOVIMGHWZFNURD-AUZPSNTRSA-N 3 2 280.372 -1.710 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219809993 780262779 /nfs/dbraw/zinc/26/27/79/780262779.db2.gz YNYSGKXWMPPBNB-LKFCYVNXSA-N 3 2 291.355 -1.112 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813470 780262878 /nfs/dbraw/zinc/26/28/78/780262878.db2.gz VIWLATJBTBCUGU-LAEOZQHASA-N 2 2 281.320 -2.578 20 0 CAADLP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001219811110 780263044 /nfs/dbraw/zinc/26/30/44/780263044.db2.gz KIMRWUGIBOAOOJ-JTQLQIEISA-N 2 2 266.301 -1.075 20 0 CAADLP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219801245 780263137 /nfs/dbraw/zinc/26/31/37/780263137.db2.gz WMCCUVAKLOVEHO-JMSVASOKSA-N 3 2 294.399 -1.177 20 0 CAADLP CC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800712 780263166 /nfs/dbraw/zinc/26/31/66/780263166.db2.gz UPQUBNZFKFBCRI-AGIUHOORSA-N 2 2 295.387 -1.006 20 0 CAADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800712 780263172 /nfs/dbraw/zinc/26/31/72/780263172.db2.gz UPQUBNZFKFBCRI-AGIUHOORSA-N 2 2 295.387 -1.006 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813443 780264141 /nfs/dbraw/zinc/26/41/41/780264141.db2.gz UJXUZWHGERFOOJ-WYFGTUCQSA-N 3 2 254.334 -1.972 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814006 780264310 /nfs/dbraw/zinc/26/43/10/780264310.db2.gz OBYLIJAMGCCVOI-WCQGTBRESA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814006 780264321 /nfs/dbraw/zinc/26/43/21/780264321.db2.gz OBYLIJAMGCCVOI-WCQGTBRESA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814006 780264322 /nfs/dbraw/zinc/26/43/22/780264322.db2.gz OBYLIJAMGCCVOI-WCQGTBRESA-N 2 2 298.387 -1.494 20 0 CAADLP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219831499 780264499 /nfs/dbraw/zinc/26/44/99/780264499.db2.gz NDJXMINTBQLBOV-SSKLVLDBSA-N 3 2 280.372 -1.569 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831817 780264872 /nfs/dbraw/zinc/26/48/72/780264872.db2.gz ZAMMWTUGKGQTNN-XXFSISAASA-N 3 2 254.334 -1.831 20 0 CAADLP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219831497 780265132 /nfs/dbraw/zinc/26/51/32/780265132.db2.gz NDJXMINTBQLBOV-MOWSAHLDSA-N 3 2 280.372 -1.569 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219814005 780265192 /nfs/dbraw/zinc/26/51/92/780265192.db2.gz OBYLIJAMGCCVOI-JLLWLGSASA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814005 780265202 /nfs/dbraw/zinc/26/52/02/780265202.db2.gz OBYLIJAMGCCVOI-JLLWLGSASA-N 2 2 298.387 -1.494 20 0 CAADLP C[C@H](C(N)=O)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814005 780265210 /nfs/dbraw/zinc/26/52/10/780265210.db2.gz OBYLIJAMGCCVOI-JLLWLGSASA-N 2 2 298.387 -1.494 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837061 780266584 /nfs/dbraw/zinc/26/65/84/780266584.db2.gz HCBVEGOOOYRZSM-OWTLIXCDSA-N 3 2 298.387 -1.813 20 0 CAADLP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219850197 780267429 /nfs/dbraw/zinc/26/74/29/780267429.db2.gz NNAGNIMWSHVVJJ-XOBFJNJYSA-N 3 2 294.399 -1.321 20 0 CAADLP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219850192 780267691 /nfs/dbraw/zinc/26/76/91/780267691.db2.gz NNAGNIMWSHVVJJ-ARUSPNSKSA-N 3 2 294.399 -1.321 20 0 CAADLP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219847585 780268289 /nfs/dbraw/zinc/26/82/89/780268289.db2.gz LEXVOIXVZOPKCD-MCDVFOBDSA-N 3 2 280.372 -1.428 20 0 CAADLP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219847625 780268369 /nfs/dbraw/zinc/26/83/69/780268369.db2.gz MZTBNSCJAOWUSI-ZXPJVPCYSA-N 3 2 280.372 -1.427 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847588 780268711 /nfs/dbraw/zinc/26/87/11/780268711.db2.gz LIEGFTLTKPIOBM-AZQAYCESSA-N 2 2 281.320 -2.295 20 0 CAADLP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219854490 780268984 /nfs/dbraw/zinc/26/89/84/780268984.db2.gz KCDDTSWZPPGDFU-UGCHFJIKSA-N 3 2 266.345 -1.959 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854822 780269633 /nfs/dbraw/zinc/26/96/33/780269633.db2.gz XDQIUYWVIZSKCL-NOOOWODRSA-N 3 2 279.344 -1.607 20 0 CAADLP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219854491 780270135 /nfs/dbraw/zinc/27/01/35/780270135.db2.gz KCDDTSWZPPGDFU-VLLVSFFDSA-N 3 2 266.345 -1.959 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854739 780270200 /nfs/dbraw/zinc/27/02/00/780270200.db2.gz SBINAHOXRLNQHN-CHWFTXMASA-N 3 2 265.317 -1.618 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854875 780270280 /nfs/dbraw/zinc/27/02/80/780270280.db2.gz ZIYDFZRAUASYJO-VGRMVHKJSA-N 2 2 267.293 -2.828 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H](O)CO ZINC001219865397 780270922 /nfs/dbraw/zinc/27/09/22/780270922.db2.gz NFVFMYVPUPOTKM-NXEZZACHSA-N 2 2 260.338 -2.794 20 0 CAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)CO)cc1 ZINC001219865148 780271181 /nfs/dbraw/zinc/27/11/81/780271181.db2.gz BVANBDKIEJSTDU-MNOVXSKESA-N 2 2 253.302 -1.272 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](C)O ZINC001219879714 780271329 /nfs/dbraw/zinc/27/13/29/780271329.db2.gz LOZKAGPAJDMURO-VDAHYXPESA-N 2 2 270.289 -1.682 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H](C)O ZINC001219879348 780271990 /nfs/dbraw/zinc/27/19/90/780271990.db2.gz DKCCEJNZSOQUSB-ARHDFHRDSA-N 2 2 271.317 -2.024 20 0 CAADLP CCOC(=O)CC(=N)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219882391 780272411 /nfs/dbraw/zinc/27/24/11/780272411.db2.gz FJLHYTCZFZBTCR-UFBFGSQYSA-N 2 2 268.317 -1.015 20 0 CAADLP Cn1cc2c(n1)[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])OCC2 ZINC001219887702 780272771 /nfs/dbraw/zinc/27/27/71/780272771.db2.gz HAVPSFIBWBCVNF-DCAQKATOSA-N 2 2 279.344 -1.303 20 0 CAADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001219890154 780272790 /nfs/dbraw/zinc/27/27/90/780272790.db2.gz FQDWNBVGXNKCAP-ZWNOBZJWSA-N 2 2 266.345 -1.196 20 0 CAADLP Cn1cc2c(n1)[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)OCC2 ZINC001219887693 780273287 /nfs/dbraw/zinc/27/32/87/780273287.db2.gz GTPXYXUYANFDAO-VWYCJHECSA-N 2 2 279.344 -1.161 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001219890838 780274356 /nfs/dbraw/zinc/27/43/56/780274356.db2.gz LFKQCGRCIMRYML-WYFGTUCQSA-N 2 2 252.318 -1.587 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219889865 780274576 /nfs/dbraw/zinc/27/45/76/780274576.db2.gz BXDHFCQIBCGKLT-XWUBHJNHSA-N 2 2 278.356 -1.325 20 0 CAADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001219891679 780274979 /nfs/dbraw/zinc/27/49/79/780274979.db2.gz YLNVKNDTWXSTHY-FYLLDIAZSA-N 2 2 252.318 -1.730 20 0 CAADLP O=C(N[C@H]1SC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219904127 780275001 /nfs/dbraw/zinc/27/50/01/780275001.db2.gz RAEJQIYVSUDILZ-CDOJRTKCSA-N 2 2 284.341 -1.389 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC[NH2+]CCO ZINC001219918218 780276593 /nfs/dbraw/zinc/27/65/93/780276593.db2.gz HVUDJZWCRONGQK-NSHDSACASA-N 3 2 273.381 -2.565 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219961775 780276974 /nfs/dbraw/zinc/27/69/74/780276974.db2.gz VZYKWRRTIGOVMS-WCBMZHEXSA-N 2 2 276.362 -2.397 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219961776 780277052 /nfs/dbraw/zinc/27/70/52/780277052.db2.gz VZYKWRRTIGOVMS-WPRPVWTQSA-N 2 2 276.362 -2.397 20 0 CAADLP C[NH+](C)CCCCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219918233 780277248 /nfs/dbraw/zinc/27/72/48/780277248.db2.gz IIMAMKMZGHKAAZ-VIFPVBQESA-N 2 2 269.353 -1.082 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945224 780278125 /nfs/dbraw/zinc/27/81/25/780278125.db2.gz DSRZUMJBJVYTQA-WPRPVWTQSA-N 2 2 284.341 -1.283 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCNC(=O)c1ccncc1 ZINC001219939150 780278926 /nfs/dbraw/zinc/27/89/26/780278926.db2.gz SWRRLYMSTGVPDL-QWRGUYRKSA-N 2 2 277.328 -1.526 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCNC(=O)c2ccncc2)C1 ZINC001219939221 780279817 /nfs/dbraw/zinc/27/98/17/780279817.db2.gz WSQXELFSQZAUEU-MNOVXSKESA-N 2 2 277.328 -1.383 20 0 CAADLP O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219958985 780280182 /nfs/dbraw/zinc/28/01/82/780280182.db2.gz CYXQJBWASBBNNB-AATLWQCWSA-N 2 2 252.318 -1.669 20 0 CAADLP Cc1nonc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219948039 780280390 /nfs/dbraw/zinc/28/03/90/780280390.db2.gz IWQNKLXSOPYNRY-OYNCUSHFSA-N 2 2 251.290 -1.056 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959363 780280763 /nfs/dbraw/zinc/28/07/63/780280763.db2.gz RSCJHXDSCQGWDC-CBAPKCEASA-N 2 2 251.290 -1.326 20 0 CAADLP Cc1nonc1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219948208 780280798 /nfs/dbraw/zinc/28/07/98/780280798.db2.gz ORKPXZJHIQDDRV-KCJUWKMLSA-N 2 2 251.290 -1.054 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959416 780280993 /nfs/dbraw/zinc/28/09/93/780280993.db2.gz UFYHIIZOXUILFL-WDEREUQCSA-N 2 2 283.376 -1.868 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959365 780281147 /nfs/dbraw/zinc/28/11/47/780281147.db2.gz RSCJHXDSCQGWDC-VXNVDRBHSA-N 2 2 251.290 -1.326 20 0 CAADLP O=C(NC[C@H]1CCC(=O)N1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219959210 780281541 /nfs/dbraw/zinc/28/15/41/780281541.db2.gz MTIMKXXEOOAINS-YGOYTEALSA-N 2 2 252.318 -1.667 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959407 780281627 /nfs/dbraw/zinc/28/16/27/780281627.db2.gz UCPKVSDYXUWKTC-SCZZXKLOSA-N 2 2 265.317 -1.315 20 0 CAADLP O=C(NC[C@H]1CCC(=O)N1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219959207 780281654 /nfs/dbraw/zinc/28/16/54/780281654.db2.gz MTIMKXXEOOAINS-KBVBSXBZSA-N 2 2 252.318 -1.667 20 0 CAADLP Cc1nonc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219948210 780281709 /nfs/dbraw/zinc/28/17/09/780281709.db2.gz ORKPXZJHIQDDRV-LDYMZIIASA-N 2 2 251.290 -1.054 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[NH2+]1 ZINC001219965568 780282395 /nfs/dbraw/zinc/28/23/95/780282395.db2.gz SBLZMVRWIXYGQB-KZZRWZIVSA-N 2 2 297.355 -1.227 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219960990 780283153 /nfs/dbraw/zinc/28/31/53/780283153.db2.gz FCJDZJWPLSVJLQ-MRTMQBJTSA-N 2 2 276.362 -2.126 20 0 CAADLP O=C(NCCCc1c[nH][nH]c1=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219968321 780283804 /nfs/dbraw/zinc/28/38/04/780283804.db2.gz ZSLLEXDZVYQHRP-OPQQBVKSSA-N 2 2 279.344 -1.434 20 0 CAADLP O=C(NCCCc1c[nH][nH]c1=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219968322 780284751 /nfs/dbraw/zinc/28/47/51/780284751.db2.gz ZSLLEXDZVYQHRP-OUJBWJOFSA-N 2 2 279.344 -1.434 20 0 CAADLP [NH3+]C1(C(=O)NCCCc2c[nH][nH]c2=O)CC[NH2+]CC1 ZINC001219969645 780284875 /nfs/dbraw/zinc/28/48/75/780284875.db2.gz IBRPQILGXMNBSY-SECBINFHSA-N 2 2 267.333 -1.305 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969435 780284927 /nfs/dbraw/zinc/28/49/27/780284927.db2.gz ACVZHJWKZFIVPA-CIUDSAMLSA-N 2 2 253.306 -1.839 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC[C@H]2O)C[NH2+]1 ZINC001219967829 780284963 /nfs/dbraw/zinc/28/49/63/780284963.db2.gz LEGYUQWOMLSREH-XAVMHZPKSA-N 2 2 257.290 -2.271 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)C[NH2+]1 ZINC001219967582 780285044 /nfs/dbraw/zinc/28/50/44/780285044.db2.gz AZVQERSHNHXUPC-HXFLIBJXSA-N 2 2 257.290 -2.414 20 0 CAADLP O=C(NCCCc1c[nH][nH]c1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219967731 780285212 /nfs/dbraw/zinc/28/52/12/780285212.db2.gz HRIGJSJHXVBMPU-XWLWVQCSSA-N 2 2 279.344 -1.436 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2N)C[NH2+]1 ZINC001219968302 780285286 /nfs/dbraw/zinc/28/52/86/780285286.db2.gz ZCCVZTJQCMSGIX-XGEHTFHBSA-N 2 2 256.306 -2.447 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)C[NH2+]1 ZINC001219968085 780285306 /nfs/dbraw/zinc/28/53/06/780285306.db2.gz VITBOBWCYGGTCV-VQVTYTSYSA-N 2 2 265.260 -1.011 20 0 CAADLP COC(=O)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219975934 780285644 /nfs/dbraw/zinc/28/56/44/780285644.db2.gz ZEYRPXSLCFYPDG-SECBINFHSA-N 2 2 258.322 -1.974 20 0 CAADLP COC(=O)C1(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC[NH2+]CC1 ZINC001220001226 780287297 /nfs/dbraw/zinc/28/72/97/780287297.db2.gz MFYOWMMXISTPHS-IUCAKERBSA-N 3 2 270.333 -1.913 20 0 CAADLP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC[NH2+]CC1 ZINC001219999213 780287816 /nfs/dbraw/zinc/28/78/16/780287816.db2.gz NKIHINRHVDKDRA-IINYFYTJSA-N 3 2 296.371 -1.651 20 0 CAADLP COC(=O)C1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[NH2+]CC1 ZINC001220001363 780288318 /nfs/dbraw/zinc/28/83/18/780288318.db2.gz PYNFLRQEIMOYDC-RULNRJAQSA-N 3 2 296.371 -1.380 20 0 CAADLP Cn1c(NC(=O)[C@@H]([NH3+])CC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984227 780288374 /nfs/dbraw/zinc/28/83/74/780288374.db2.gz AJNAYPKNTRHLRV-BYPYZUCNSA-N 2 2 270.249 -1.502 20 0 CAADLP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC[NH2+]CC1 ZINC001219999215 780288387 /nfs/dbraw/zinc/28/83/87/780288387.db2.gz NKIHINRHVDKDRA-YGRLFVJLSA-N 3 2 296.371 -1.651 20 0 CAADLP CN1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1=O ZINC001220007558 780288825 /nfs/dbraw/zinc/28/88/25/780288825.db2.gz PDVAMFHJMRVUEL-CWSCBRNRSA-N 2 2 266.345 -1.325 20 0 CAADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC1C[NH+](C)C1 ZINC001220013502 780290404 /nfs/dbraw/zinc/29/04/04/780290404.db2.gz YKTGXHYKTJEMQI-KWQFWETISA-N 2 2 256.350 -1.094 20 0 CAADLP O=C(NC1(CO)CCOCC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220018901 780291080 /nfs/dbraw/zinc/29/10/80/780291080.db2.gz YOFLRFWIQUWWLZ-ZWNOBZJWSA-N 2 2 269.345 -1.404 20 0 CAADLP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220020361 780291359 /nfs/dbraw/zinc/29/13/59/780291359.db2.gz GDVXZBUONWZJPV-VIFPVBQESA-N 3 2 261.289 -1.245 20 0 CAADLP O=C(NC1(CO)CCOCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220018725 780291673 /nfs/dbraw/zinc/29/16/73/780291673.db2.gz PJOBMODTVKCJTB-GARJFASQSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1CC(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001220013191 780291845 /nfs/dbraw/zinc/29/18/45/780291845.db2.gz KRHJRBSAENKJRS-JTQLQIEISA-N 2 2 254.334 -1.244 20 0 CAADLP CC(C)[C@@](C)(NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220023384 780293337 /nfs/dbraw/zinc/29/33/37/780293337.db2.gz WUFBEOIUWDFBAE-SMDDNHRTSA-N 2 2 299.419 -1.247 20 0 CAADLP N=c1cc(C[NH3+])ncn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220020812 780293575 /nfs/dbraw/zinc/29/35/75/780293575.db2.gz WPIJLSWXVARJQW-LNLATYFQSA-N 3 2 262.317 -1.317 20 0 CAADLP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(N)=O ZINC001220033171 780295556 /nfs/dbraw/zinc/29/55/56/780295556.db2.gz JLGCMLHGNMVNQZ-QPUJVOFHSA-N 2 2 254.334 -1.434 20 0 CAADLP CC(C)(CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220033688 780296170 /nfs/dbraw/zinc/29/61/70/780296170.db2.gz PHKJIUBCQHFPSJ-JTQLQIEISA-N 2 2 285.392 -1.636 20 0 CAADLP CC(C)(CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001220033691 780296480 /nfs/dbraw/zinc/29/64/80/780296480.db2.gz PHKJIUBCQHFPSJ-SNVBAGLBSA-N 2 2 285.392 -1.636 20 0 CAADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220043214 780297048 /nfs/dbraw/zinc/29/70/48/780297048.db2.gz JKSZFKYUAFHVEO-BREBYQMCSA-N 3 2 276.344 -1.008 20 0 CAADLP N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220045027 780297655 /nfs/dbraw/zinc/29/76/55/780297655.db2.gz IRSMYZILYJHDKT-LBPRGKRZSA-N 3 2 292.387 -1.183 20 0 CAADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220043407 780298066 /nfs/dbraw/zinc/29/80/66/780298066.db2.gz PZAOEAHHCQSUID-BDAKNGLRSA-N 3 2 250.306 -1.541 20 0 CAADLP N=c1cc(C[NH3+])ccn1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220045026 780298124 /nfs/dbraw/zinc/29/81/24/780298124.db2.gz IRSMYZILYJHDKT-GFCCVEGCSA-N 3 2 292.387 -1.183 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220051840 780298642 /nfs/dbraw/zinc/29/86/42/780298642.db2.gz NBSUOMXOCXQZHI-NEPJUHHUSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220051840 780298650 /nfs/dbraw/zinc/29/86/50/780298650.db2.gz NBSUOMXOCXQZHI-NEPJUHHUSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053401 780298944 /nfs/dbraw/zinc/29/89/44/780298944.db2.gz KLBHTIGCHIEFAM-TUAOUCFPSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053401 780298952 /nfs/dbraw/zinc/29/89/52/780298952.db2.gz KLBHTIGCHIEFAM-TUAOUCFPSA-N 2 2 296.371 -1.105 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1cc[nH]n1 ZINC001220061653 780299161 /nfs/dbraw/zinc/29/91/61/780299161.db2.gz BHERRCWPGPBRHX-LBPRGKRZSA-N 2 2 280.376 -1.181 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(=O)[nH]c(=O)n2C2CC2)C1 ZINC001220065814 780299793 /nfs/dbraw/zinc/29/97/93/780299793.db2.gz JVINTTKTRBLLQG-SVRRBLITSA-N 2 2 279.300 -1.089 20 0 CAADLP Cc1ncc(CO)c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1O ZINC001220092752 780300576 /nfs/dbraw/zinc/30/05/76/780300576.db2.gz CGRRXAFCBPAVDD-QWRGUYRKSA-N 2 2 280.328 -1.249 20 0 CAADLP O=C(NCc1nn[nH]n1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220073810 780300954 /nfs/dbraw/zinc/30/09/54/780300954.db2.gz KKCIPRFAAMVBEB-MRVPVSSYSA-N 2 2 265.321 -1.310 20 0 CAADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220103498 780302170 /nfs/dbraw/zinc/30/21/70/780302170.db2.gz UIQPWKZPHVRBGW-NSHDSACASA-N 4 2 299.423 -1.802 20 0 CAADLP N=C(NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)SCC[NH3+] ZINC001220106567 780304292 /nfs/dbraw/zinc/30/42/92/780304292.db2.gz SKBFULCEIYNRIX-BYPYZUCNSA-N 2 2 258.311 -2.188 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(CO)(CO)CO ZINC001220106127 780304110 /nfs/dbraw/zinc/30/41/10/780304110.db2.gz BKWWNRWAICEJAV-VIFPVBQESA-N 2 2 272.305 -2.878 20 0 CAADLP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)SCC[NH3+] ZINC001220106089 780304161 /nfs/dbraw/zinc/30/41/61/780304161.db2.gz ASNWRHAYYYZIAG-BIIVOSGPSA-N 3 2 257.363 -1.321 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106090 780304227 /nfs/dbraw/zinc/30/42/27/780304227.db2.gz YSBOKWGAHUSWGB-TUAOUCFPSA-N 2 2 282.344 -1.185 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106090 780304235 /nfs/dbraw/zinc/30/42/35/780304235.db2.gz YSBOKWGAHUSWGB-TUAOUCFPSA-N 2 2 282.344 -1.185 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220105764 780304368 /nfs/dbraw/zinc/30/43/68/780304368.db2.gz KWXUJCXKVUTBGO-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220105764 780304376 /nfs/dbraw/zinc/30/43/76/780304376.db2.gz KWXUJCXKVUTBGO-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220109592 780305339 /nfs/dbraw/zinc/30/53/39/780305339.db2.gz FEMYWPDCGSRMLQ-SKDRFNHKSA-N 2 2 257.334 -1.813 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220117274 780306364 /nfs/dbraw/zinc/30/63/64/780306364.db2.gz FPZIDRUGMFTUCS-JUAIVUMSSA-N 2 2 298.343 -2.491 20 0 CAADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220141686 780308882 /nfs/dbraw/zinc/30/88/82/780308882.db2.gz RGAPDURWSUVYJK-UZWSLXQKSA-N 2 2 269.345 -1.142 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220140773 780308990 /nfs/dbraw/zinc/30/89/90/780308990.db2.gz ANBAGQYUEQJQOO-JTQLQIEISA-N 2 2 277.390 -1.006 20 0 CAADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220141685 780309403 /nfs/dbraw/zinc/30/94/03/780309403.db2.gz RGAPDURWSUVYJK-SBFPOUOMSA-N 2 2 269.345 -1.142 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001220145776 780310929 /nfs/dbraw/zinc/31/09/29/780310929.db2.gz PNGMIOLOIXJDIF-YUMQZZPRSA-N 2 2 262.335 -2.707 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220145974 780312420 /nfs/dbraw/zinc/31/24/20/780312420.db2.gz YGFNSVYPGOACFZ-KCJUWKMLSA-N 2 2 288.373 -2.302 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220145973 780312790 /nfs/dbraw/zinc/31/27/90/780312790.db2.gz YGFNSVYPGOACFZ-GZMMTYOYSA-N 2 2 288.373 -2.302 20 0 CAADLP [NH3+]C1(C(=O)NC2CC(CO)(CO)C2)CC[NH2+]CC1 ZINC001220151631 780312954 /nfs/dbraw/zinc/31/29/54/780312954.db2.gz AFTUTQWRVCIZSY-UHFFFAOYSA-N 2 2 257.334 -1.683 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170360 780313520 /nfs/dbraw/zinc/31/35/20/780313520.db2.gz ISRBNVUJJQNBDS-GHMZBOCLSA-N 2 2 296.327 -1.072 20 0 CAADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1 ZINC001220158697 780313612 /nfs/dbraw/zinc/31/36/12/780313612.db2.gz DZZYZXWOYLEHRV-WPRPVWTQSA-N 2 2 272.349 -1.981 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170363 780314875 /nfs/dbraw/zinc/31/48/75/780314875.db2.gz ISRBNVUJJQNBDS-WDEREUQCSA-N 2 2 296.327 -1.072 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2COCCC23OCCO3)C1 ZINC001220173144 780315494 /nfs/dbraw/zinc/31/54/94/780315494.db2.gz JQCFOWRKJRVNCI-KXUCPTDWSA-N 2 2 271.317 -1.676 20 0 CAADLP O=C(NC1(CCO)COC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220172876 780315539 /nfs/dbraw/zinc/31/55/39/780315539.db2.gz DBWPKOFAEUYLID-CABZTGNLSA-N 2 2 255.318 -1.795 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CCO)COC1 ZINC001220174097 780315720 /nfs/dbraw/zinc/31/57/20/780315720.db2.gz VSVTTZQWNYJGNK-SECBINFHSA-N 2 2 254.290 -1.453 20 0 CAADLP O=C(N[C@@H]1COCCC12OCCO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220173677 780315818 /nfs/dbraw/zinc/31/58/18/780315818.db2.gz RLKLMLAFPFITSJ-DMDPSCGWSA-N 2 2 297.355 -1.414 20 0 CAADLP O=C(N[C@@H]1COCCC12OCCO2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220173623 780316322 /nfs/dbraw/zinc/31/63/22/780316322.db2.gz QLSKVTKKCDGSAP-NNYUYHANSA-N 2 2 297.355 -1.416 20 0 CAADLP O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220181696 780317216 /nfs/dbraw/zinc/31/72/16/780317216.db2.gz YZVRDBFANGBIEW-HHKYUTTNSA-N 2 2 255.318 -1.798 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181428 780317394 /nfs/dbraw/zinc/31/73/94/780317394.db2.gz OLMRXGKMNGMBML-GUBZILKMSA-N 2 2 254.290 -1.455 20 0 CAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220197606 780318350 /nfs/dbraw/zinc/31/83/50/780318350.db2.gz LHFHPMVZASFJBK-GHMZBOCLSA-N 2 2 269.345 -1.310 20 0 CAADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]CCN1 ZINC001220189388 780319333 /nfs/dbraw/zinc/31/93/33/780319333.db2.gz PYWWUTATVXYWPB-BDAKNGLRSA-N 2 2 262.304 -1.091 20 0 CAADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]CCN1 ZINC001220186435 780319387 /nfs/dbraw/zinc/31/93/87/780319387.db2.gz PYWWUTATVXYWPB-RKDXNWHRSA-N 2 2 262.304 -1.091 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202510 780319861 /nfs/dbraw/zinc/31/98/61/780319861.db2.gz DMDQRJQQUOCZOE-KOLCDFICSA-N 2 2 283.376 -2.011 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202766 780320004 /nfs/dbraw/zinc/32/00/04/780320004.db2.gz JZDWIPMCMPFZBP-APPZFPTMSA-N 2 2 251.290 -1.468 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220203141 780320164 /nfs/dbraw/zinc/32/01/64/780320164.db2.gz WZMPEVRFQQVWMG-WPRPVWTQSA-N 2 2 265.317 -1.458 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202512 780320245 /nfs/dbraw/zinc/32/02/45/780320245.db2.gz DMDQRJQQUOCZOE-ONGXEEELSA-N 2 2 283.376 -2.011 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])COC1 ZINC001220214768 780320437 /nfs/dbraw/zinc/32/04/37/780320437.db2.gz HTKGQYUYKCVOHI-IUCAKERBSA-N 2 2 271.317 -1.629 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202509 780320514 /nfs/dbraw/zinc/32/05/14/780320514.db2.gz DMDQRJQQUOCZOE-GXSJLCMTSA-N 2 2 283.376 -2.011 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202511 780320885 /nfs/dbraw/zinc/32/08/85/780320885.db2.gz DMDQRJQQUOCZOE-MWLCHTKSSA-N 2 2 283.376 -2.011 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)COC1 ZINC001220215438 780321486 /nfs/dbraw/zinc/32/14/86/780321486.db2.gz XCAYSPTWKQYRDU-GARJFASQSA-N 2 2 297.355 -1.225 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234020 780321527 /nfs/dbraw/zinc/32/15/27/780321527.db2.gz QQENFWPTCZIHTI-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234020 780321530 /nfs/dbraw/zinc/32/15/30/780321530.db2.gz QQENFWPTCZIHTI-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220232253 780321558 /nfs/dbraw/zinc/32/15/58/780321558.db2.gz LOEDJYNYZVWGFG-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220232253 780321560 /nfs/dbraw/zinc/32/15/60/780321560.db2.gz LOEDJYNYZVWGFG-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)COC1 ZINC001220215378 780321877 /nfs/dbraw/zinc/32/18/77/780321877.db2.gz UJSWGFJZGLRIIV-QMTHXVAHSA-N 2 2 297.355 -1.224 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220232254 780322044 /nfs/dbraw/zinc/32/20/44/780322044.db2.gz LOEDJYNYZVWGFG-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220232254 780322051 /nfs/dbraw/zinc/32/20/51/780322051.db2.gz LOEDJYNYZVWGFG-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1cnccn1 ZINC001220242783 780324174 /nfs/dbraw/zinc/32/41/74/780324174.db2.gz HVTBKZZJBCPPEY-ZDUSSCGKSA-N 2 2 292.387 -1.114 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC001220245533 780324717 /nfs/dbraw/zinc/32/47/17/780324717.db2.gz RTXFMVRQBNABNI-KOLCDFICSA-N 2 2 279.344 -1.116 20 0 CAADLP CN1C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1=O ZINC001220245100 780324802 /nfs/dbraw/zinc/32/48/02/780324802.db2.gz FXRZSSRTVHRMKX-XWLWVQCSSA-N 2 2 266.345 -1.469 20 0 CAADLP CN1C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1=O ZINC001220245036 780325528 /nfs/dbraw/zinc/32/55/28/780325528.db2.gz DFUIZBWAKAFWPV-PRFIWBCESA-N 2 2 266.345 -1.197 20 0 CAADLP O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220251661 780326945 /nfs/dbraw/zinc/32/69/45/780326945.db2.gz AXDJQAWYZACMAK-LURJTMIESA-N 2 2 252.278 -2.065 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220268527 780328075 /nfs/dbraw/zinc/32/80/75/780328075.db2.gz MGROLCZKAJTBTL-VIFPVBQESA-N 2 2 289.361 -1.713 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220268452 780328194 /nfs/dbraw/zinc/32/81/94/780328194.db2.gz JJCYEARGSNGHID-KKZNHRDASA-N 2 2 290.389 -1.784 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220268526 780328262 /nfs/dbraw/zinc/32/82/62/780328262.db2.gz MGROLCZKAJTBTL-SECBINFHSA-N 2 2 289.361 -1.713 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)C[C@@H](O)C[NH3+] ZINC001220275447 780329295 /nfs/dbraw/zinc/32/92/95/780329295.db2.gz YNROYCXOAPAVAX-SNVBAGLBSA-N 2 2 256.306 -1.145 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220274721 780329329 /nfs/dbraw/zinc/32/93/29/780329329.db2.gz OKACXMDGBAMBOQ-MNOVXSKESA-N 2 2 268.317 -1.132 20 0 CAADLP NC(=O)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220276519 780329347 /nfs/dbraw/zinc/32/93/47/780329347.db2.gz LKGFVJVOSODJCP-SECBINFHSA-N 2 2 257.338 -2.272 20 0 CAADLP CN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277416 780329378 /nfs/dbraw/zinc/32/93/78/780329378.db2.gz ZXKITVIPDKTUNW-WOPDTQHZSA-N 2 2 298.387 -1.670 20 0 CAADLP CN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277416 780329384 /nfs/dbraw/zinc/32/93/84/780329384.db2.gz ZXKITVIPDKTUNW-WOPDTQHZSA-N 2 2 298.387 -1.670 20 0 CAADLP Cn1cc(CCNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cn1 ZINC001220276243 780329456 /nfs/dbraw/zinc/32/94/56/780329456.db2.gz AUORBWBICXBCMA-CYBMUJFWSA-N 2 2 294.403 -1.171 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220274722 780329837 /nfs/dbraw/zinc/32/98/37/780329837.db2.gz OKACXMDGBAMBOQ-QWRGUYRKSA-N 2 2 268.317 -1.132 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220274955 780330203 /nfs/dbraw/zinc/33/02/03/780330203.db2.gz JZTQWNWNTOTARF-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001220274955 780330208 /nfs/dbraw/zinc/33/02/08/780330208.db2.gz JZTQWNWNTOTARF-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276647 780330378 /nfs/dbraw/zinc/33/03/78/780330378.db2.gz GQEUCCKAPMRJFP-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276647 780330381 /nfs/dbraw/zinc/33/03/81/780330381.db2.gz GQEUCCKAPMRJFP-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP Cn1cc(CCNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cn1 ZINC001220276244 780330404 /nfs/dbraw/zinc/33/04/04/780330404.db2.gz AUORBWBICXBCMA-ZDUSSCGKSA-N 2 2 294.403 -1.171 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220275040 780330441 /nfs/dbraw/zinc/33/04/41/780330441.db2.gz MVJYYEGLBQMYIJ-MXWKQRLJSA-N 2 2 284.360 -2.012 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220275040 780330449 /nfs/dbraw/zinc/33/04/49/780330449.db2.gz MVJYYEGLBQMYIJ-MXWKQRLJSA-N 2 2 284.360 -2.012 20 0 CAADLP NC(=O)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220276521 780330554 /nfs/dbraw/zinc/33/05/54/780330554.db2.gz LKGFVJVOSODJCP-VIFPVBQESA-N 2 2 257.338 -2.272 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220274574 780330648 /nfs/dbraw/zinc/33/06/48/780330648.db2.gz JBDAPJBNDHNEGT-LBPRGKRZSA-N 2 2 267.333 -1.164 20 0 CAADLP COCCn1cncc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220274661 780330664 /nfs/dbraw/zinc/33/06/64/780330664.db2.gz MWNIGFAGAPBUAP-KOLCDFICSA-N 2 2 267.333 -1.165 20 0 CAADLP CN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277415 780330678 /nfs/dbraw/zinc/33/06/78/780330678.db2.gz ZXKITVIPDKTUNW-UTUOFQBUSA-N 2 2 298.387 -1.670 20 0 CAADLP CN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1=O ZINC001220277415 780330684 /nfs/dbraw/zinc/33/06/84/780330684.db2.gz ZXKITVIPDKTUNW-UTUOFQBUSA-N 2 2 298.387 -1.670 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220274874 780330693 /nfs/dbraw/zinc/33/06/93/780330693.db2.gz RGEUJPZSZAVMKT-LBPRGKRZSA-N 3 2 293.371 -1.045 20 0 CAADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220274441 780330723 /nfs/dbraw/zinc/33/07/23/780330723.db2.gz CIKBDAPJBYVQTA-GHMZBOCLSA-N 2 2 268.317 -1.274 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220291792 780331194 /nfs/dbraw/zinc/33/11/94/780331194.db2.gz XTWMGCDWZTVTBQ-UTLUCORTSA-N 2 2 254.290 -1.848 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220291792 780331199 /nfs/dbraw/zinc/33/11/99/780331199.db2.gz XTWMGCDWZTVTBQ-UTLUCORTSA-N 2 2 254.290 -1.848 20 0 CAADLP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290981 780331636 /nfs/dbraw/zinc/33/16/36/780331636.db2.gz JCZNSVZBPKCBKN-ZJUUUORDSA-N 3 2 255.322 -1.505 20 0 CAADLP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290981 780331637 /nfs/dbraw/zinc/33/16/37/780331637.db2.gz JCZNSVZBPKCBKN-ZJUUUORDSA-N 3 2 255.322 -1.505 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1OCCO1 ZINC001220288816 780331764 /nfs/dbraw/zinc/33/17/64/780331764.db2.gz JBWMBNQTPXSMLL-JTQLQIEISA-N 2 2 272.349 -1.774 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220292020 780331882 /nfs/dbraw/zinc/33/18/82/780331882.db2.gz ZGMCRPVHDUJRQN-UTLUCORTSA-N 2 2 254.290 -1.848 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220292020 780331887 /nfs/dbraw/zinc/33/18/87/780331887.db2.gz ZGMCRPVHDUJRQN-UTLUCORTSA-N 2 2 254.290 -1.848 20 0 CAADLP [NH3+][C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CC[NH2+]CC1 ZINC001220291806 780332138 /nfs/dbraw/zinc/33/21/38/780332138.db2.gz YCUCBUSGNFKRJJ-VXGBXAGGSA-N 3 2 281.360 -1.244 20 0 CAADLP [NH3+][C@@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CC[NH2+]CC1 ZINC001220291806 780332143 /nfs/dbraw/zinc/33/21/43/780332143.db2.gz YCUCBUSGNFKRJJ-VXGBXAGGSA-N 3 2 281.360 -1.244 20 0 CAADLP N[C@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC001220291361 780332270 /nfs/dbraw/zinc/33/22/70/780332270.db2.gz RTOOWZUVKHITAT-MWLCHTKSSA-N 2 2 253.306 -1.880 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001220303961 780333077 /nfs/dbraw/zinc/33/30/77/780333077.db2.gz KDNPIVLXAZVOQH-JTQLQIEISA-N 2 2 296.379 -2.177 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001220303961 780333086 /nfs/dbraw/zinc/33/30/86/780333086.db2.gz KDNPIVLXAZVOQH-JTQLQIEISA-N 2 2 296.379 -2.177 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220304198 780333340 /nfs/dbraw/zinc/33/33/40/780333340.db2.gz TZRMLODVIODPHT-UKRRQHHQSA-N 3 2 295.431 -1.308 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220304198 780333344 /nfs/dbraw/zinc/33/33/44/780333344.db2.gz TZRMLODVIODPHT-UKRRQHHQSA-N 3 2 295.431 -1.308 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1 ZINC001220310499 780333374 /nfs/dbraw/zinc/33/33/74/780333374.db2.gz BAMQZIDNAYYZPZ-ZJUUUORDSA-N 3 2 278.360 -1.318 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)CO1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220315112 780334030 /nfs/dbraw/zinc/33/40/30/780334030.db2.gz ABBDBLYHXNNHPP-VDDIYKPWSA-N 2 2 268.317 -2.431 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220304199 780334218 /nfs/dbraw/zinc/33/42/18/780334218.db2.gz TZRMLODVIODPHT-ZFWWWQNUSA-N 3 2 295.431 -1.308 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220304199 780334219 /nfs/dbraw/zinc/33/42/19/780334219.db2.gz TZRMLODVIODPHT-ZFWWWQNUSA-N 3 2 295.431 -1.308 20 0 CAADLP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220315606 780334897 /nfs/dbraw/zinc/33/48/97/780334897.db2.gz FYTOYXSYZJYUEK-ARUSPNSKSA-N 3 2 294.399 -1.036 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316070 780335186 /nfs/dbraw/zinc/33/51/86/780335186.db2.gz LWRYNORIZZDAOL-HOTUBEGUSA-N 2 2 295.347 -1.903 20 0 CAADLP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220315609 780335517 /nfs/dbraw/zinc/33/55/17/780335517.db2.gz FYTOYXSYZJYUEK-XOBFJNJYSA-N 3 2 294.399 -1.036 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317073 780336142 /nfs/dbraw/zinc/33/61/42/780336142.db2.gz VJKGHAOKZSMMDU-KWBADKCTSA-N 2 2 285.344 -1.096 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317246 780336502 /nfs/dbraw/zinc/33/65/02/780336502.db2.gz XBOWXCZGFAKZLH-GHMZBOCLSA-N 2 2 299.375 -2.632 20 0 CAADLP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220317112 780336747 /nfs/dbraw/zinc/33/67/47/780336747.db2.gz VWPZRLMFNNQTPH-DDHJSBNISA-N 3 2 294.399 -1.035 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317517 780336866 /nfs/dbraw/zinc/33/68/66/780336866.db2.gz ZHWOQCJELWFVHU-ZJUUUORDSA-N 2 2 281.316 -2.079 20 0 CAADLP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220317101 780336897 /nfs/dbraw/zinc/33/68/97/780336897.db2.gz VWPZRLMFNNQTPH-AYRXBEOTSA-N 3 2 294.399 -1.035 20 0 CAADLP Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n(N)c(=O)c1 ZINC001220324163 780338222 /nfs/dbraw/zinc/33/82/22/780338222.db2.gz ZCJPBCOYTJIDPR-UHFFFAOYSA-N 2 2 265.317 -1.110 20 0 CAADLP COC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220373527 780340581 /nfs/dbraw/zinc/34/05/81/780340581.db2.gz QOKIRWGMJPNFKC-WDSKDSINSA-N 2 2 253.262 -1.319 20 0 CAADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220386343 780342446 /nfs/dbraw/zinc/34/24/46/780342446.db2.gz PNECWXZAKQSBQV-QMMMGPOBSA-N 2 2 269.353 -1.084 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1C ZINC001220381690 780342711 /nfs/dbraw/zinc/34/27/11/780342711.db2.gz MLJKZNONTQNCPZ-NEPJUHHUSA-N 2 2 281.360 -1.263 20 0 CAADLP CN1CCOC[C@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220381146 780342765 /nfs/dbraw/zinc/34/27/65/780342765.db2.gz HNTLFZMHZCVCQX-UZWSLXQKSA-N 2 2 268.361 -1.345 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220380579 780343170 /nfs/dbraw/zinc/34/31/70/780343170.db2.gz AHQAMUBJGLLEEW-FIQHERPVSA-N 2 2 268.361 -1.617 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1(O)CCC1 ZINC001220384038 780343391 /nfs/dbraw/zinc/34/33/91/780343391.db2.gz HNWFAKVVTBYOIL-LLVKDONJSA-N 2 2 270.377 -1.232 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1(O)CCC1 ZINC001220384039 780343579 /nfs/dbraw/zinc/34/35/79/780343579.db2.gz HNWFAKVVTBYOIL-NSHDSACASA-N 2 2 270.377 -1.232 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220397112 780344374 /nfs/dbraw/zinc/34/43/74/780344374.db2.gz ZAWPMCZPNHTYHX-NSHDSACASA-N 2 2 283.376 -1.845 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220397111 780344750 /nfs/dbraw/zinc/34/47/50/780344750.db2.gz ZAWPMCZPNHTYHX-LLVKDONJSA-N 2 2 283.376 -1.845 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220395150 780344997 /nfs/dbraw/zinc/34/49/97/780344997.db2.gz YJHRQUOEEFTAPJ-LPEHRKFASA-N 2 2 252.318 -1.645 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220394272 780345236 /nfs/dbraw/zinc/34/52/36/780345236.db2.gz CCPQESQHUPTNRC-JTQLQIEISA-N 2 2 265.317 -1.292 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220394778 780345440 /nfs/dbraw/zinc/34/54/40/780345440.db2.gz NAESUDLEOZIJBQ-SECBINFHSA-N 2 2 251.290 -1.302 20 0 CAADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001220405902 780346380 /nfs/dbraw/zinc/34/63/80/780346380.db2.gz GLGHLVRYEGZEPE-KATARQTJSA-N 2 2 255.318 -1.009 20 0 CAADLP Cn1c(=O)cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[nH]c1=O ZINC001220424826 780346427 /nfs/dbraw/zinc/34/64/27/780346427.db2.gz VMVAWOBTVRSZFB-QHMRUWFYSA-N 2 2 279.300 -1.354 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424788 780346707 /nfs/dbraw/zinc/34/67/07/780346707.db2.gz UJEZWRZYQCLFJM-QMMMGPOBSA-N 2 2 292.299 -1.272 20 0 CAADLP CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220417906 780346960 /nfs/dbraw/zinc/34/69/60/780346960.db2.gz CJQLJZKMSGFANN-CBAPKCEASA-N 2 2 253.306 -1.459 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC001220428833 780347927 /nfs/dbraw/zinc/34/79/27/780347927.db2.gz FWAFZMPDXDBXQA-LLVKDONJSA-N 3 2 256.350 -1.567 20 0 CAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220429111 780347953 /nfs/dbraw/zinc/34/79/53/780347953.db2.gz LFTBEBJDQUUXPI-HOSYDEDBSA-N 3 2 254.334 -1.958 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC001220428834 780348355 /nfs/dbraw/zinc/34/83/55/780348355.db2.gz FWAFZMPDXDBXQA-NSHDSACASA-N 3 2 256.350 -1.567 20 0 CAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220429109 780348446 /nfs/dbraw/zinc/34/84/46/780348446.db2.gz LFTBEBJDQUUXPI-CKYFFXLPSA-N 3 2 254.334 -1.958 20 0 CAADLP CC(C)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)N1CCOCC1 ZINC001220453681 780349406 /nfs/dbraw/zinc/34/94/06/780349406.db2.gz JGWGTUFAPFNXJD-SRVKXCTJSA-N 2 2 298.387 -1.467 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(=O)CCO ZINC001220449200 780349643 /nfs/dbraw/zinc/34/96/43/780349643.db2.gz OMFWZLRWRWMZRX-JTQLQIEISA-N 2 2 254.290 -1.642 20 0 CAADLP O=C(N[C@H](CO)C(F)(F)F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220448116 780349993 /nfs/dbraw/zinc/34/99/93/780349993.db2.gz XONOLMKZLHEDSZ-ZXFLCMHBSA-N 2 2 267.251 -1.023 20 0 CAADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442134 780350117 /nfs/dbraw/zinc/35/01/17/780350117.db2.gz YOOLGOVXORHWBE-TUAOUCFPSA-N 2 2 282.344 -1.012 20 0 CAADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442134 780350120 /nfs/dbraw/zinc/35/01/20/780350120.db2.gz YOOLGOVXORHWBE-TUAOUCFPSA-N 2 2 282.344 -1.012 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220479174 780351484 /nfs/dbraw/zinc/35/14/84/780351484.db2.gz ARCSSPOFQWKRAG-VIFPVBQESA-N 2 2 287.360 -1.114 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220479273 780351497 /nfs/dbraw/zinc/35/14/97/780351497.db2.gz GARGYMMJRRHEBN-BHDSKKPTSA-N 2 2 299.371 -1.243 20 0 CAADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])O1 ZINC001220482078 780353253 /nfs/dbraw/zinc/35/32/53/780353253.db2.gz ZYVADGLHNINEEL-ZTVLKNOQSA-N 3 2 286.376 -1.626 20 0 CAADLP COC(C)(CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)OC ZINC001220508937 780356532 /nfs/dbraw/zinc/35/65/32/780356532.db2.gz DHTUBSGZIAZSQS-NSHDSACASA-N 2 2 288.392 -1.138 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220515957 780356599 /nfs/dbraw/zinc/35/65/99/780356599.db2.gz MSNOYWSZQNOVRR-PWSUYJOCSA-N 3 2 255.366 -2.055 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220517437 780357006 /nfs/dbraw/zinc/35/70/06/780357006.db2.gz LQYMNKFLXKOXPG-LLVKDONJSA-N 3 2 285.348 -1.612 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220516220 780357244 /nfs/dbraw/zinc/35/72/44/780357244.db2.gz SJHFTOWDRSFMMB-NSHDSACASA-N 3 2 268.365 -1.703 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220515391 780357927 /nfs/dbraw/zinc/35/79/27/780357927.db2.gz AIBRMJXNDLRSAB-FOGDFJRCSA-N 3 2 255.366 -1.785 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220516605 780358030 /nfs/dbraw/zinc/35/80/30/780358030.db2.gz ZZMRTSUOWILPTL-GARJFASQSA-N 3 2 255.366 -2.057 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519289 780358372 /nfs/dbraw/zinc/35/83/72/780358372.db2.gz JAUBQPSMGDUXCK-LBPRGKRZSA-N 3 2 299.375 -1.602 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220519226 780359281 /nfs/dbraw/zinc/35/92/81/780359281.db2.gz HDCACHJBLIDBDV-AAEUAGOBSA-N 3 2 286.376 -1.954 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC[NH2+]C1 ZINC001220523602 780359816 /nfs/dbraw/zinc/35/98/16/780359816.db2.gz RZDQRFJQKGGRJV-KCJUWKMLSA-N 3 2 282.344 -1.398 20 0 CAADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570912 780362616 /nfs/dbraw/zinc/36/26/16/780362616.db2.gz DDNVQYPGDSWARZ-JTQLQIEISA-N 3 2 288.417 -1.546 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220571558 780362922 /nfs/dbraw/zinc/36/29/22/780362922.db2.gz UKMHAEDALUNVNF-SDDRHHMPSA-N 2 2 280.372 -1.615 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220571559 780363711 /nfs/dbraw/zinc/36/37/11/780363711.db2.gz UKVYDMVEGDRAGB-UWVGGRQHSA-N 2 2 255.318 -1.842 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220571607 780363799 /nfs/dbraw/zinc/36/37/99/780363799.db2.gz VHBWXBLRADSVLK-NSHDSACASA-N 3 2 280.372 -1.756 20 0 CAADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571051 780364202 /nfs/dbraw/zinc/36/42/02/780364202.db2.gz HNERRHHUZLBDGQ-NSHDSACASA-N 3 2 270.377 -1.109 20 0 CAADLP COC(=O)CNC(=O)CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220574852 780365072 /nfs/dbraw/zinc/36/50/72/780365072.db2.gz CYFFOQOBUVPSSS-RQJHMYQMSA-N 2 2 258.278 -2.919 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220582789 780367729 /nfs/dbraw/zinc/36/77/29/780367729.db2.gz DTCACTUZLACGCK-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001220582789 780367737 /nfs/dbraw/zinc/36/77/37/780367737.db2.gz DTCACTUZLACGCK-MXWKQRLJSA-N 2 2 286.376 -1.637 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220583738 780368038 /nfs/dbraw/zinc/36/80/38/780368038.db2.gz WQHIUUXZEFWRBL-GARJFASQSA-N 3 2 284.360 -1.713 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220596726 780370569 /nfs/dbraw/zinc/37/05/69/780370569.db2.gz GTHHVXBSOQOIRE-JOYOIKCWSA-N 2 2 252.318 -1.715 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccccc1-n1cnnn1 ZINC001220670685 780373177 /nfs/dbraw/zinc/37/31/77/780373177.db2.gz MHRJJDJPGRHYNO-QWRGUYRKSA-N 2 2 287.327 -1.175 20 0 CAADLP CC(C)(C)NC(=O)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220708891 780375015 /nfs/dbraw/zinc/37/50/15/780375015.db2.gz KKMYEEVJZQONKL-IUCAKERBSA-N 2 2 256.350 -1.046 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220725035 780375583 /nfs/dbraw/zinc/37/55/83/780375583.db2.gz LJNCJWHWKMWSCP-GMTAPVOTSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220725035 780375587 /nfs/dbraw/zinc/37/55/87/780375587.db2.gz LJNCJWHWKMWSCP-GMTAPVOTSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725432 780375834 /nfs/dbraw/zinc/37/58/34/780375834.db2.gz RLVRFFZLGOJVCH-NWDGAFQWSA-N 3 2 282.388 -1.368 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725432 780375840 /nfs/dbraw/zinc/37/58/40/780375840.db2.gz RLVRFFZLGOJVCH-NWDGAFQWSA-N 3 2 282.388 -1.368 20 0 CAADLP [NH3+]Cc1ncccc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220712200 780376130 /nfs/dbraw/zinc/37/61/30/780376130.db2.gz WRWDOZOFPRWULP-LURJTMIESA-N 2 2 262.277 -1.438 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220725628 780376824 /nfs/dbraw/zinc/37/68/24/780376824.db2.gz VWESYTARIZFCFP-MNOVXSKESA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220725628 780376833 /nfs/dbraw/zinc/37/68/33/780376833.db2.gz VWESYTARIZFCFP-MNOVXSKESA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220725769 780377220 /nfs/dbraw/zinc/37/72/20/780377220.db2.gz XXWMYDVVVRXUOT-NWDGAFQWSA-N 2 2 298.387 -1.846 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220725769 780377229 /nfs/dbraw/zinc/37/72/29/780377229.db2.gz XXWMYDVVVRXUOT-NWDGAFQWSA-N 2 2 298.387 -1.846 20 0 CAADLP CC(=O)NC[C@@H](C)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220756588 780378212 /nfs/dbraw/zinc/37/82/12/780378212.db2.gz GGSPYGSVMYDYKR-SECBINFHSA-N 2 2 256.350 -1.044 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](C)[NH3+] ZINC001220770152 780378260 /nfs/dbraw/zinc/37/82/60/780378260.db2.gz UURJBGZIVMYXAZ-APPZFPTMSA-N 2 2 254.290 -1.032 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220756978 780378402 /nfs/dbraw/zinc/37/84/02/780378402.db2.gz PJIXMYBVIBSCIU-GWCFXTLKSA-N 2 2 299.419 -1.375 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220756880 780378475 /nfs/dbraw/zinc/37/84/75/780378475.db2.gz MUJRCBNXMYELMM-PDEGPIFNSA-N 2 2 268.361 -1.175 20 0 CAADLP COC(=O)CC1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCOCC1 ZINC001220731699 780378826 /nfs/dbraw/zinc/37/88/26/780378826.db2.gz RFKWSENGDLMMBN-UWVGGRQHSA-N 2 2 285.344 -1.238 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C[C@@H](O)C[NH3+] ZINC001220768924 780379843 /nfs/dbraw/zinc/37/98/43/780379843.db2.gz FDZAAFHDYXSCKE-ZJUUUORDSA-N 2 2 284.316 -1.670 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220771802 780379876 /nfs/dbraw/zinc/37/98/76/780379876.db2.gz DMLBJFQHMIKUNS-MFKMUULPSA-N 2 2 295.343 -1.689 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220768759 780380492 /nfs/dbraw/zinc/38/04/92/780380492.db2.gz ANZGZRDNECTVIG-QWRGUYRKSA-N 3 2 297.359 -1.313 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220768758 780380630 /nfs/dbraw/zinc/38/06/30/780380630.db2.gz ANZGZRDNECTVIG-MNOVXSKESA-N 3 2 297.359 -1.313 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220769168 780380721 /nfs/dbraw/zinc/38/07/21/780380721.db2.gz JLTNYUOYFTZXTA-MXWKQRLJSA-N 2 2 296.327 -1.657 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CC[NH2+]1 ZINC001220770694 780381251 /nfs/dbraw/zinc/38/12/51/780381251.db2.gz ZRVSPWWIUKDMKG-UWVGGRQHSA-N 2 2 266.301 -1.018 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220771803 780381350 /nfs/dbraw/zinc/38/13/50/780381350.db2.gz DMLBJFQHMIKUNS-ZWNOBZJWSA-N 2 2 295.343 -1.689 20 0 CAADLP CCOC(=O)C1=C(NC(=O)C2([NH3+])CC[NH2+]CC2)C[NH2+]C1 ZINC001220829098 780384578 /nfs/dbraw/zinc/38/45/78/780384578.db2.gz XMXFLJVGVVIXGA-UHFFFAOYSA-N 3 2 282.344 -1.396 20 0 CAADLP CSCC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(N)=O ZINC001220840577 780385389 /nfs/dbraw/zinc/38/53/89/780385389.db2.gz QDHVRKRBOSYOFN-CSMHCCOUSA-N 2 2 260.363 -1.601 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@H]2COC(C)(C)[NH2+]2)C[NH2+]C1 ZINC001220851055 780385679 /nfs/dbraw/zinc/38/56/79/780385679.db2.gz FRXYMKFKYHRDDT-QMMMGPOBSA-N 2 2 271.317 -1.268 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[NH2+]C1 ZINC001220849015 780387157 /nfs/dbraw/zinc/38/71/57/780387157.db2.gz PXKSFFOLDUFMDQ-SECBINFHSA-N 2 2 281.316 -1.699 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[NH2+]C1 ZINC001220849015 780387168 /nfs/dbraw/zinc/38/71/68/780387168.db2.gz PXKSFFOLDUFMDQ-SECBINFHSA-N 2 2 281.316 -1.699 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888414 780392451 /nfs/dbraw/zinc/39/24/51/780392451.db2.gz KQCLNDBBRSZVSD-UHTWSYAYSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888414 780392461 /nfs/dbraw/zinc/39/24/61/780392461.db2.gz KQCLNDBBRSZVSD-UHTWSYAYSA-N 2 2 296.371 -1.105 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220882211 780392812 /nfs/dbraw/zinc/39/28/12/780392812.db2.gz SYINBCGJLVSSIN-BSTOTGJRSA-N 2 2 267.329 -1.137 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220882212 780393021 /nfs/dbraw/zinc/39/30/21/780393021.db2.gz SYINBCGJLVSSIN-COMAGPEQSA-N 2 2 267.329 -1.137 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220882214 780393501 /nfs/dbraw/zinc/39/35/01/780393501.db2.gz SYINBCGJLVSSIN-VWMGYNLJSA-N 2 2 267.329 -1.137 20 0 CAADLP CCC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001220907340 780394794 /nfs/dbraw/zinc/39/47/94/780394794.db2.gz NMGXPVFRDJATHE-GUBZILKMSA-N 2 2 254.334 -1.340 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936534 780395612 /nfs/dbraw/zinc/39/56/12/780395612.db2.gz GUZDFJHNWUJOBR-QWHCGFSZSA-N 3 2 299.419 -1.769 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936533 780396032 /nfs/dbraw/zinc/39/60/32/780396032.db2.gz GUZDFJHNWUJOBR-OLZOCXBDSA-N 3 2 299.419 -1.769 20 0 CAADLP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220936384 780396049 /nfs/dbraw/zinc/39/60/49/780396049.db2.gz FUBPNYQCSJCOEW-WZRBSPASSA-N 3 2 268.361 -1.567 20 0 CAADLP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220936382 780396064 /nfs/dbraw/zinc/39/60/64/780396064.db2.gz FUBPNYQCSJCOEW-LOWVWBTDSA-N 3 2 268.361 -1.567 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936532 780396320 /nfs/dbraw/zinc/39/63/20/780396320.db2.gz GUZDFJHNWUJOBR-CHWSQXEVSA-N 3 2 299.419 -1.769 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936535 780396405 /nfs/dbraw/zinc/39/64/05/780396405.db2.gz GUZDFJHNWUJOBR-STQMWFEESA-N 3 2 299.419 -1.769 20 0 CAADLP [NH3+]C1(C(=O)NCCO[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220936567 780396536 /nfs/dbraw/zinc/39/65/36/780396536.db2.gz HGSAHNRJBKERBP-SNVBAGLBSA-N 3 2 256.350 -1.438 20 0 CAADLP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220937494 780397968 /nfs/dbraw/zinc/39/79/68/780397968.db2.gz SVUVDTDXUQVOES-WHOHXGKFSA-N 3 2 268.361 -1.569 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937409 780398347 /nfs/dbraw/zinc/39/83/47/780398347.db2.gz QUQBBOXLRFWQMG-GHMZBOCLSA-N 3 2 267.333 -1.226 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937741 780398840 /nfs/dbraw/zinc/39/88/40/780398840.db2.gz YWQKYGZXWCFICO-BDAKNGLRSA-N 2 2 259.306 -1.629 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937410 780398909 /nfs/dbraw/zinc/39/89/09/780398909.db2.gz QUQBBOXLRFWQMG-MNOVXSKESA-N 3 2 267.333 -1.226 20 0 CAADLP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220937493 780399083 /nfs/dbraw/zinc/39/90/83/780399083.db2.gz SVUVDTDXUQVOES-FIQHERPVSA-N 3 2 268.361 -1.569 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937412 780399808 /nfs/dbraw/zinc/39/98/08/780399808.db2.gz QUQBBOXLRFWQMG-WDEREUQCSA-N 3 2 267.333 -1.226 20 0 CAADLP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220960096 780400592 /nfs/dbraw/zinc/40/05/92/780400592.db2.gz HWFUPXWQKXNFMN-ZNSHCXBVSA-N 2 2 285.344 -1.240 20 0 CAADLP Cc1nnc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)o1 ZINC001221011194 780402220 /nfs/dbraw/zinc/40/22/20/780402220.db2.gz YHSVUHYJWFMXHR-LDYMZIIASA-N 2 2 251.290 -1.054 20 0 CAADLP COC(=O)CC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(N)=O ZINC001221019461 780402356 /nfs/dbraw/zinc/40/23/56/780402356.db2.gz WYTTUGKDINEHCV-CSMHCCOUSA-N 2 2 272.305 -2.401 20 0 CAADLP COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(N)=O ZINC001221019405 780402694 /nfs/dbraw/zinc/40/26/94/780402694.db2.gz VUBNMMRFUUYLRA-BQBZGAKWSA-N 2 2 260.294 -2.414 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221093806 780403715 /nfs/dbraw/zinc/40/37/15/780403715.db2.gz XYAMISRYNTYAGG-UTUOFQBUSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221093806 780403723 /nfs/dbraw/zinc/40/37/23/780403723.db2.gz XYAMISRYNTYAGG-UTUOFQBUSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221093806 780403729 /nfs/dbraw/zinc/40/37/29/780403729.db2.gz XYAMISRYNTYAGG-UTUOFQBUSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221093806 780403738 /nfs/dbraw/zinc/40/37/38/780403738.db2.gz XYAMISRYNTYAGG-UTUOFQBUSA-N 2 2 298.387 -1.624 20 0 CAADLP COCCOc1nccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001221158265 780403884 /nfs/dbraw/zinc/40/38/84/780403884.db2.gz XEMQUNHAWMVMGE-KOLCDFICSA-N 2 2 295.343 -1.193 20 0 CAADLP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001221134493 780404552 /nfs/dbraw/zinc/40/45/52/780404552.db2.gz YVEAQDFOMLFFJC-VIFPVBQESA-N 2 2 297.363 -1.574 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001221091843 780404765 /nfs/dbraw/zinc/40/47/65/780404765.db2.gz YKCOSZZVPGMBLG-AXFHLTTASA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001221091843 780404769 /nfs/dbraw/zinc/40/47/69/780404769.db2.gz YKCOSZZVPGMBLG-AXFHLTTASA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001221091843 780404772 /nfs/dbraw/zinc/40/47/72/780404772.db2.gz YKCOSZZVPGMBLG-AXFHLTTASA-N 2 2 286.376 -1.638 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001221091843 780404775 /nfs/dbraw/zinc/40/47/75/780404775.db2.gz YKCOSZZVPGMBLG-AXFHLTTASA-N 2 2 286.376 -1.638 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221196536 780406823 /nfs/dbraw/zinc/40/68/23/780406823.db2.gz RTZHGEAESRQBEW-WPRPVWTQSA-N 2 2 286.376 -1.590 20 0 CAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C[C@H](O)C[NH3+] ZINC001221256718 780408230 /nfs/dbraw/zinc/40/82/30/780408230.db2.gz JXQLXBCARJTPMN-QWRGUYRKSA-N 2 2 298.343 -1.280 20 0 CAADLP O=C(NC1CN(C2COC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221245927 780408353 /nfs/dbraw/zinc/40/83/53/780408353.db2.gz IXOVCRNSERQQQI-NOZJJQNGSA-N 2 2 266.345 -1.863 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)c1ccccc1 ZINC001221266908 780411257 /nfs/dbraw/zinc/41/12/57/780411257.db2.gz ZLMYSESWSOUFBC-FIQHERPVSA-N 2 2 276.344 -1.795 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265828 780411372 /nfs/dbraw/zinc/41/13/72/780411372.db2.gz QACNJYKXVPWLNS-UYXSQOIJSA-N 2 2 272.309 -3.604 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265826 780411472 /nfs/dbraw/zinc/41/14/72/780411472.db2.gz QACNJYKXVPWLNS-JBDRJPRFSA-N 2 2 272.309 -3.604 20 0 CAADLP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266485 780411739 /nfs/dbraw/zinc/41/17/39/780411739.db2.gz WOCFXHAPEGXFAL-ZDCRXTMVSA-N 2 2 296.400 -1.863 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1=CC(=O)NCC1 ZINC001221314290 780414339 /nfs/dbraw/zinc/41/43/39/780414339.db2.gz QPAPUWIADQZZNE-JTQLQIEISA-N 2 2 263.301 -1.190 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221369233 780417479 /nfs/dbraw/zinc/41/74/79/780417479.db2.gz LBPVGYMTBATYCL-ZDMBXUJBSA-N 2 2 266.345 -1.421 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221369230 780417712 /nfs/dbraw/zinc/41/77/12/780417712.db2.gz LBPVGYMTBATYCL-MWODSPESSA-N 2 2 266.345 -1.421 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370834 780418449 /nfs/dbraw/zinc/41/84/49/780418449.db2.gz UPHDTKFZMXOPHA-NXEZZACHSA-N 2 2 285.348 -2.039 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221371844 780418460 /nfs/dbraw/zinc/41/84/60/780418460.db2.gz ZSFOXQMUHNVMJO-UWVGGRQHSA-N 2 2 279.344 -1.069 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370828 780418775 /nfs/dbraw/zinc/41/87/75/780418775.db2.gz UNXALBMNJYVUDM-YUMQZZPRSA-N 2 2 253.262 -1.496 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370837 780418818 /nfs/dbraw/zinc/41/88/18/780418818.db2.gz UPHDTKFZMXOPHA-VHSXEESVSA-N 2 2 285.348 -2.039 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221369893 780418957 /nfs/dbraw/zinc/41/89/57/780418957.db2.gz NXZWBHVAGNQLOH-SKNMHBRKSA-N 2 2 266.345 -1.151 20 0 CAADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]([NH3+])COC(C)=O ZINC001221389609 780419144 /nfs/dbraw/zinc/41/91/44/780419144.db2.gz LYRZCHGIMRSYCA-JTQLQIEISA-N 3 2 287.364 -1.059 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370825 780419343 /nfs/dbraw/zinc/41/93/43/780419343.db2.gz UNXALBMNJYVUDM-JGVFFNPUSA-N 2 2 253.262 -1.496 20 0 CAADLP O=C(NC[C@H]1CNC(=O)O1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221371383 780419368 /nfs/dbraw/zinc/41/93/68/780419368.db2.gz XJKVKYCGYMNVCX-FYBVGQRMSA-N 2 2 254.290 -1.838 20 0 CAADLP Cc1nnc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[nH]1 ZINC001221410702 780420178 /nfs/dbraw/zinc/42/01/78/780420178.db2.gz YOPPRJYBBRJRAO-GZMMTYOYSA-N 2 2 250.306 -1.319 20 0 CAADLP Cc1nnc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[nH]1 ZINC001221408481 780420197 /nfs/dbraw/zinc/42/01/97/780420197.db2.gz QDOCAWQSJHAFFL-XHNCKOQMSA-N 2 2 250.306 -1.321 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408536 780420480 /nfs/dbraw/zinc/42/04/80/780420480.db2.gz JHVAAJSCEFBKPG-GXSJLCMTSA-N 2 2 279.348 -1.426 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001221402379 780420721 /nfs/dbraw/zinc/42/07/21/780420721.db2.gz FQKKYMMKZFUDBL-SDDRHHMPSA-N 3 2 282.388 -1.491 20 0 CAADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221393358 780420736 /nfs/dbraw/zinc/42/07/36/780420736.db2.gz BUKHIGRHTONDQW-LBPRGKRZSA-N 2 2 292.339 -1.093 20 0 CAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221789308 780423213 /nfs/dbraw/zinc/42/32/13/780423213.db2.gz OXPHGUQYEKHQDH-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221789308 780423217 /nfs/dbraw/zinc/42/32/17/780423217.db2.gz OXPHGUQYEKHQDH-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001277266881 780449469 /nfs/dbraw/zinc/44/94/69/780449469.db2.gz NYVRZXWMYWUUOX-UHFFFAOYSA-N 2 2 251.290 -1.393 20 0 CAADLP C[NH+]1CCN(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001277632539 780470580 /nfs/dbraw/zinc/47/05/80/780470580.db2.gz WMTCUKVFMWJFIC-BETUJISGSA-N 2 2 282.388 -1.225 20 0 CAADLP C[NH+]1CCN(C(=O)CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)CC1 ZINC001277632539 780470584 /nfs/dbraw/zinc/47/05/84/780470584.db2.gz WMTCUKVFMWJFIC-BETUJISGSA-N 2 2 282.388 -1.225 20 0 CAADLP CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC000722221971 780491923 /nfs/dbraw/zinc/49/19/23/780491923.db2.gz KTNDGMBHEKLHPP-UHFFFAOYSA-N 2 2 278.378 -1.925 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC1=CS[C@@H]([NH3+])N1 ZINC001236196951 780495095 /nfs/dbraw/zinc/49/50/95/780495095.db2.gz MGDWMWCOSDXIOB-HKPALBBZSA-N 2 2 258.347 -1.019 20 0 CAADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277981553 780496507 /nfs/dbraw/zinc/49/65/07/780496507.db2.gz LFBVTRWDCYGWMK-UHFFFAOYSA-N 2 2 268.361 -1.042 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC[NH+]1CCOCC1 ZINC001236199179 780496635 /nfs/dbraw/zinc/49/66/35/780496635.db2.gz XRZDMSIXSRSPBA-QWRGUYRKSA-N 2 2 257.334 -1.107 20 0 CAADLP COC(=O)[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001236342969 780496775 /nfs/dbraw/zinc/49/67/75/780496775.db2.gz OBKBLIZZWYBCDJ-MNOVXSKESA-N 2 2 257.334 -1.249 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278105830 780507097 /nfs/dbraw/zinc/50/70/97/780507097.db2.gz PSBAZYOOQTVPSR-NEPJUHHUSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C1CC[NH2+]C[C@@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238627020 780520512 /nfs/dbraw/zinc/52/05/12/780520512.db2.gz JLWFBJOUIHJKDK-VIFPVBQESA-N 2 2 261.347 -1.411 20 0 CAADLP CCOC(=O)C1(NS(=O)(=O)CC[NH3+])C[NH2+]C1 ZINC001238785540 780523160 /nfs/dbraw/zinc/52/31/60/780523160.db2.gz HHVJTIUKQUHCSU-UHFFFAOYSA-N 2 2 251.308 -2.230 20 0 CAADLP COC(=O)C[C@@H]1C[NH2+]CCN1S(=O)(=O)CC[NH3+] ZINC001239095293 780529695 /nfs/dbraw/zinc/52/96/95/780529695.db2.gz UYYLPLKLBVYPBW-MRVPVSSYSA-N 2 2 265.335 -1.888 20 0 CAADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC[C@H](O)C[NH+]2CCOCC2)N1 ZINC001245982799 780538898 /nfs/dbraw/zinc/53/88/98/780538898.db2.gz KAHCKCQYWQQAQQ-GMXVVIOVSA-N 2 2 284.360 -2.153 20 0 CAADLP OC[C@@H]1C[NH2+]C[C@@H]1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001245992469 780538998 /nfs/dbraw/zinc/53/89/98/780538998.db2.gz DOVZQZMKXHSRQL-TUAOUCFPSA-N 2 2 259.350 -2.151 20 0 CAADLP O[C@@H](CN[C@@H]1C[NH2+]CC[C@@H]1F)C[NH+]1CCOCC1 ZINC001246011511 780539470 /nfs/dbraw/zinc/53/94/70/780539470.db2.gz ILDWPEAWJNPSRT-SDDRHHMPSA-N 2 2 261.341 -1.031 20 0 CAADLP OC[C@@H]1C[NH2+]C[C@@H]1NC[C@H](O)C[NH+]1CCOCC1 ZINC001245992467 780540003 /nfs/dbraw/zinc/54/00/03/780540003.db2.gz DOVZQZMKXHSRQL-SRVKXCTJSA-N 2 2 259.350 -2.151 20 0 CAADLP O[C@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023441 780540605 /nfs/dbraw/zinc/54/06/05/780540605.db2.gz DQOFPLGZAPREJS-KBPBESRZSA-N 3 2 298.431 -1.511 20 0 CAADLP O[C@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023441 780540610 /nfs/dbraw/zinc/54/06/10/780540610.db2.gz DQOFPLGZAPREJS-KBPBESRZSA-N 3 2 298.431 -1.511 20 0 CAADLP [NH3+][C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[C@H]1O ZINC001246026658 780541411 /nfs/dbraw/zinc/54/14/11/780541411.db2.gz DVBBTZYZGDMJJN-QJPTWQEYSA-N 2 2 259.350 -1.927 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC001246046880 780541656 /nfs/dbraw/zinc/54/16/56/780541656.db2.gz ANDGKHDJDXRQCA-RYUDHWBXSA-N 2 2 287.360 -1.874 20 0 CAADLP COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001246049540 780541723 /nfs/dbraw/zinc/54/17/23/780541723.db2.gz BMCBQESXXXRIDW-QJPTWQEYSA-N 2 2 287.360 -1.888 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@H](O)C[NH+]1CCOCC1 ZINC001246063601 780543027 /nfs/dbraw/zinc/54/30/27/780543027.db2.gz LGTJXGZTZCBXTJ-TUAOUCFPSA-N 2 2 287.360 -1.746 20 0 CAADLP COC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C(C)(C)[NH3+] ZINC001246129372 780543936 /nfs/dbraw/zinc/54/39/36/780543936.db2.gz WRKWYQBXGIYOBK-HRDYMLBCSA-N 2 2 273.333 -1.242 20 0 CAADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100782 780544175 /nfs/dbraw/zinc/54/41/75/780544175.db2.gz NTKWLIFOKYHTAY-NWDGAFQWSA-N 3 2 290.433 -1.049 20 0 CAADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100790 780544620 /nfs/dbraw/zinc/54/46/20/780544620.db2.gz NTKWLIFOKYHTAY-VXGBXAGGSA-N 3 2 290.433 -1.049 20 0 CAADLP CC[C@]1(C(=O)OC)C[C@H](N[C@]23CC[NH2+][C@@H]2CC(=O)N3)C[NH2+]1 ZINC001246146373 780545661 /nfs/dbraw/zinc/54/56/61/780545661.db2.gz RWXFZFKXJWYXDY-PJQZNRQZSA-N 2 2 296.371 -1.162 20 0 CAADLP COC(=O)[C@@H]1C[C@H](NCc2nnc3n2CCC[NH2+]C3)C[NH2+]1 ZINC001246136068 780545847 /nfs/dbraw/zinc/54/58/47/780545847.db2.gz QZYALWRPVZYJGP-UWVGGRQHSA-N 2 2 294.359 -1.236 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@H]2COCCC23C[NH2+]C3)C[NH2+]1 ZINC001246139124 780546107 /nfs/dbraw/zinc/54/61/07/780546107.db2.gz RQVGJBLJWCWNRA-DCAQKATOSA-N 2 2 269.345 -1.142 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)CN1 ZINC001246137505 780546110 /nfs/dbraw/zinc/54/61/10/780546110.db2.gz ZARSZDMBVPIQKU-RNWYCLNJSA-N 2 2 269.345 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@]23C[NH2+][C@@H](CO2)C3)CN1 ZINC001246150995 780546199 /nfs/dbraw/zinc/54/61/99/780546199.db2.gz VDWXZFJOHHRBLI-WYFGTUCQSA-N 2 2 255.318 -1.390 20 0 CAADLP COC(=O)[C@H](CC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246153151 780546246 /nfs/dbraw/zinc/54/62/46/780546246.db2.gz LYAOJGPTHGCDEX-CIUDSAMLSA-N 2 2 259.306 -1.630 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC2(C(=O)OC)CC[NH2+]CC2)C[NH2+]1 ZINC001246191409 780547020 /nfs/dbraw/zinc/54/70/20/780547020.db2.gz QXYUWTSQLVDRPW-ZJUUUORDSA-N 2 2 285.344 -1.225 20 0 CAADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215350 780548333 /nfs/dbraw/zinc/54/83/33/780548333.db2.gz SPDCDYOEIPTYSD-GHMZBOCLSA-N 3 2 270.377 -1.050 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2OC)C[NH2+]1 ZINC001246218391 780548959 /nfs/dbraw/zinc/54/89/59/780548959.db2.gz PVDLSKSTBJLZNH-ZRUFSTJUSA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246218391 780548965 /nfs/dbraw/zinc/54/89/65/780548965.db2.gz PVDLSKSTBJLZNH-ZRUFSTJUSA-N 2 2 257.334 -1.144 20 0 CAADLP NC(=O)c1nc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246245737 780549682 /nfs/dbraw/zinc/54/96/82/780549682.db2.gz SZZFSJSFSMPLNC-ZETCQYMHSA-N 2 2 266.305 -1.648 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)CN1 ZINC001246234099 780550134 /nfs/dbraw/zinc/55/01/34/780550134.db2.gz VYVKTOKVGFBZBI-NHCYSSNCSA-N 2 2 257.334 -1.406 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@]2(CCO)CC[NH2+]C2)C[NH2+]1 ZINC001246294831 780551035 /nfs/dbraw/zinc/55/10/35/780551035.db2.gz NMMLVSAIMQIBPR-NHCYSSNCSA-N 2 2 257.334 -1.406 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246301490 780551416 /nfs/dbraw/zinc/55/14/16/780551416.db2.gz XZCHRYMSPDWRGM-ZRUFSTJUSA-N 2 2 285.344 -1.369 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246331453 780551788 /nfs/dbraw/zinc/55/17/88/780551788.db2.gz XBTUBRKICNLDNE-ZNSHCXBVSA-N 2 2 285.344 -1.369 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2OC)C[NH2+]1 ZINC001246350523 780552189 /nfs/dbraw/zinc/55/21/89/780552189.db2.gz PVDLSKSTBJLZNH-XWLWVQCSSA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246350523 780552197 /nfs/dbraw/zinc/55/21/97/780552197.db2.gz PVDLSKSTBJLZNH-XWLWVQCSSA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246331452 780552598 /nfs/dbraw/zinc/55/25/98/780552598.db2.gz XBTUBRKICNLDNE-VLEAKVRGSA-N 2 2 285.344 -1.369 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246402028 780553518 /nfs/dbraw/zinc/55/35/18/780553518.db2.gz SPDCDYOEIPTYSD-MNOVXSKESA-N 3 2 270.377 -1.050 20 0 CAADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC[NH2+]1 ZINC001246493667 780554574 /nfs/dbraw/zinc/55/45/74/780554574.db2.gz SNKKQQQAHHCRBP-RKDXNWHRSA-N 2 2 285.348 -2.566 20 0 CAADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)CCN1 ZINC001246487535 780554692 /nfs/dbraw/zinc/55/46/92/780554692.db2.gz GQXKHJBJXRVQGX-TUAOUCFPSA-N 2 2 270.377 -1.179 20 0 CAADLP COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)[C@H]1CC[NH2+]C1 ZINC001246496107 780554716 /nfs/dbraw/zinc/55/47/16/780554716.db2.gz JCNKYLSNBJRMGZ-XWLWVQCSSA-N 2 2 285.344 -1.369 20 0 CAADLP COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)[C@@H]1CC[NH2+]C1 ZINC001246496093 780554805 /nfs/dbraw/zinc/55/48/05/780554805.db2.gz JCNKYLSNBJRMGZ-CHWFTXMASA-N 2 2 285.344 -1.369 20 0 CAADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC[NH2+]1 ZINC001246493666 780555043 /nfs/dbraw/zinc/55/50/43/780555043.db2.gz SNKKQQQAHHCRBP-IUCAKERBSA-N 2 2 285.348 -2.566 20 0 CAADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)CCN1 ZINC001246487536 780555078 /nfs/dbraw/zinc/55/50/78/780555078.db2.gz GQXKHJBJXRVQGX-UTUOFQBUSA-N 2 2 270.377 -1.179 20 0 CAADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)CN1 ZINC001246487604 780555226 /nfs/dbraw/zinc/55/52/26/780555226.db2.gz HNWVZVJUZXTPMR-TUAOUCFPSA-N 2 2 270.377 -1.179 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2)CN1 ZINC001246495315 780555241 /nfs/dbraw/zinc/55/52/41/780555241.db2.gz JDCZOCHYQOEWKV-AXFHLTTASA-N 2 2 256.350 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2)CN1 ZINC001246487605 780555578 /nfs/dbraw/zinc/55/55/78/780555578.db2.gz HNWVZVJUZXTPMR-UTUOFQBUSA-N 2 2 270.377 -1.179 20 0 CAADLP COC[C@@H]1C[C@@H](N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246465519 780555710 /nfs/dbraw/zinc/55/57/10/780555710.db2.gz NREVNTMOMNXJTE-RCWTZXSCSA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C[NH2+]1 ZINC001246525711 780557122 /nfs/dbraw/zinc/55/71/22/780557122.db2.gz SAMMAHXOVYAQRB-GUBZILKMSA-N 2 2 281.316 -1.686 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246565652 780557151 /nfs/dbraw/zinc/55/71/51/780557151.db2.gz IBYFZPNCCUNTRB-CHWFTXMASA-N 2 2 257.334 -1.326 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246565652 780557158 /nfs/dbraw/zinc/55/71/58/780557158.db2.gz IBYFZPNCCUNTRB-CHWFTXMASA-N 2 2 257.334 -1.326 20 0 CAADLP NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[NH2+]C3(CNC3)C2)cn1 ZINC001246527884 780557201 /nfs/dbraw/zinc/55/72/01/780557201.db2.gz ZJQYTQCGMBJHKP-QWRGUYRKSA-N 2 2 278.360 -1.495 20 0 CAADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562708 780557287 /nfs/dbraw/zinc/55/72/87/780557287.db2.gz ZAZACHUGZGWPBC-GHMZBOCLSA-N 2 2 277.390 -1.196 20 0 CAADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562708 780557291 /nfs/dbraw/zinc/55/72/91/780557291.db2.gz ZAZACHUGZGWPBC-GHMZBOCLSA-N 2 2 277.390 -1.196 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627260 780560141 /nfs/dbraw/zinc/56/01/41/780560141.db2.gz UWCQIFLANKQCPQ-GMXVVIOVSA-N 3 2 268.361 -1.473 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246637879 780560594 /nfs/dbraw/zinc/56/05/94/780560594.db2.gz QAFGZINNVPIOGI-BDAKNGLRSA-N 2 2 268.317 -2.336 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CCC([NH3+])(C(=O)OC)CC2)C[NH2+]1 ZINC001246815250 780561384 /nfs/dbraw/zinc/56/13/84/780561384.db2.gz WSUGFDPGAOCCGZ-UWVGGRQHSA-N 2 2 285.344 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CCC([NH3+])(C(=O)OC)CC2)C[NH2+]1 ZINC001246815251 780561772 /nfs/dbraw/zinc/56/17/72/780561772.db2.gz WSUGFDPGAOCCGZ-ZJUUUORDSA-N 2 2 285.344 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@H](C(N)=O)C2)C[NH2+]1 ZINC001246797902 780561926 /nfs/dbraw/zinc/56/19/26/780561926.db2.gz QEWZMEQKCPBTLR-VGMNWLOBSA-N 2 2 256.306 -2.351 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CCC[C@H](N3CC([NH3+])C3)C2)C[NH2+]1 ZINC001246875256 780564716 /nfs/dbraw/zinc/56/47/16/780564716.db2.gz ZPJSJDMWBNAQPB-XQQFMLRXSA-N 2 2 282.388 -1.003 20 0 CAADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CC(N3CC[NH2+]CC3)C2)CN1 ZINC001246894080 780564763 /nfs/dbraw/zinc/56/47/63/780564763.db2.gz KXTYPGYTVOFRTQ-AAEUAGOBSA-N 2 2 282.388 -1.131 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC(N3CC[NH2+]CC3)C2)CN1 ZINC001246894083 780564934 /nfs/dbraw/zinc/56/49/34/780564934.db2.gz KXTYPGYTVOFRTQ-YPMHNXCESA-N 2 2 282.388 -1.131 20 0 CAADLP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1[NH3+] ZINC001246949752 780565769 /nfs/dbraw/zinc/56/57/69/780565769.db2.gz UYDUGHIXWVLMRY-SRVKXCTJSA-N 3 2 282.388 -1.097 20 0 CAADLP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1[NH3+] ZINC001246949752 780565776 /nfs/dbraw/zinc/56/57/76/780565776.db2.gz UYDUGHIXWVLMRY-SRVKXCTJSA-N 3 2 282.388 -1.097 20 0 CAADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990792 780566052 /nfs/dbraw/zinc/56/60/52/780566052.db2.gz QPSQBPUNONXYRO-WDEREUQCSA-N 3 2 252.362 -1.260 20 0 CAADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990792 780566055 /nfs/dbraw/zinc/56/60/55/780566055.db2.gz QPSQBPUNONXYRO-WDEREUQCSA-N 3 2 252.362 -1.260 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC001251021704 780569926 /nfs/dbraw/zinc/56/99/26/780569926.db2.gz SWOYXYSGMJNQTM-ZIAGYGMSSA-N 2 2 287.404 -1.058 20 0 CAADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)CN2CCOCC2)CC1 ZINC001251038512 780571672 /nfs/dbraw/zinc/57/16/72/780571672.db2.gz XOHIPBABONECOJ-GFCCVEGCSA-N 2 2 285.392 -1.549 20 0 CAADLP CN1CCN(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251038512 780571676 /nfs/dbraw/zinc/57/16/76/780571676.db2.gz XOHIPBABONECOJ-GFCCVEGCSA-N 2 2 285.392 -1.549 20 0 CAADLP O=C(CC[NH2+]C[C@H](O)CO)NCCc1c[nH]c[nH+]1 ZINC001252072747 780582708 /nfs/dbraw/zinc/58/27/08/780582708.db2.gz CTXGIYXCPDOCLR-JTQLQIEISA-N 2 2 256.306 -1.599 20 0 CAADLP O=C(CC[NH2+]C[C@H](O)CO)NCCc1c[nH+]c[nH]1 ZINC001252072747 780582713 /nfs/dbraw/zinc/58/27/13/780582713.db2.gz CTXGIYXCPDOCLR-JTQLQIEISA-N 2 2 256.306 -1.599 20 0 CAADLP COC(=O)[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252442790 780587407 /nfs/dbraw/zinc/58/74/07/780587407.db2.gz WKZNHSMXHWYMEW-SNVBAGLBSA-N 2 2 284.316 -1.418 20 0 CAADLP COC(=O)[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252442790 780587411 /nfs/dbraw/zinc/58/74/11/780587411.db2.gz WKZNHSMXHWYMEW-SNVBAGLBSA-N 2 2 284.316 -1.418 20 0 CAADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC001253213700 780592172 /nfs/dbraw/zinc/59/21/72/780592172.db2.gz VQNLFBFSSKSLET-WDEREUQCSA-N 2 2 289.376 -1.044 20 0 CAADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC001253213697 780592303 /nfs/dbraw/zinc/59/23/03/780592303.db2.gz VQNLFBFSSKSLET-QWRGUYRKSA-N 2 2 289.376 -1.044 20 0 CAADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCS(N)(=O)=O ZINC001253204007 780592424 /nfs/dbraw/zinc/59/24/24/780592424.db2.gz NPWFUUGROLPSNQ-SECBINFHSA-N 2 2 253.368 -1.433 20 0 CAADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+](CC[NH3+])CCO ZINC001256320019 780622920 /nfs/dbraw/zinc/62/29/20/780622920.db2.gz GCYVDMLSUGWXSA-NSHDSACASA-N 2 2 259.350 -1.123 20 0 CAADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+](CC[NH3+])CCO ZINC001256320019 780622926 /nfs/dbraw/zinc/62/29/26/780622926.db2.gz GCYVDMLSUGWXSA-NSHDSACASA-N 2 2 259.350 -1.123 20 0 CAADLP C[C@H](CC(=O)N1CCOCC1)[N@H+](CC[NH3+])CCO ZINC001256320018 780622990 /nfs/dbraw/zinc/62/29/90/780622990.db2.gz GCYVDMLSUGWXSA-LLVKDONJSA-N 2 2 259.350 -1.123 20 0 CAADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+](CC[NH3+])CCO ZINC001256320018 780622994 /nfs/dbraw/zinc/62/29/94/780622994.db2.gz GCYVDMLSUGWXSA-LLVKDONJSA-N 2 2 259.350 -1.123 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001261632892 780675162 /nfs/dbraw/zinc/67/51/62/780675162.db2.gz PSYHXBPJKUVDEQ-VIFPVBQESA-N 2 2 251.290 -1.523 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001262034817 780698659 /nfs/dbraw/zinc/69/86/59/780698659.db2.gz OQLGNCHBADBXJA-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819869 780760407 /nfs/dbraw/zinc/76/04/07/780760407.db2.gz ZJJUWMNZDUWNAC-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001265819869 780760411 /nfs/dbraw/zinc/76/04/11/780760411.db2.gz ZJJUWMNZDUWNAC-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001265819869 780760417 /nfs/dbraw/zinc/76/04/17/780760417.db2.gz ZJJUWMNZDUWNAC-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001265819869 780760421 /nfs/dbraw/zinc/76/04/21/780760421.db2.gz ZJJUWMNZDUWNAC-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001265843502 780761535 /nfs/dbraw/zinc/76/15/35/780761535.db2.gz HRBMPMMIEPJHMJ-JGVFFNPUSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001265843504 780762232 /nfs/dbraw/zinc/76/22/32/780762232.db2.gz HRBMPMMIEPJHMJ-YUMQZZPRSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001265843501 780762313 /nfs/dbraw/zinc/76/23/13/780762313.db2.gz HRBMPMMIEPJHMJ-HTQZYQBOSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CC(N)=O ZINC001282220324 780814337 /nfs/dbraw/zinc/81/43/37/780814337.db2.gz PFCFIFUDRWSHAF-DTWKUNHWSA-N 2 2 267.333 -1.069 20 0 CAADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CC(N)=O ZINC001282220325 780814864 /nfs/dbraw/zinc/81/48/64/780814864.db2.gz PFCFIFUDRWSHAF-IUCAKERBSA-N 2 2 267.333 -1.069 20 0 CAADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001283701798 780857803 /nfs/dbraw/zinc/85/78/03/780857803.db2.gz GCTKEZPMLLHACW-VIFPVBQESA-N 2 2 267.333 -1.116 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCN1CCNC1=O ZINC001135757394 781382752 /nfs/dbraw/zinc/38/27/52/781382752.db2.gz BETCKSWRHQYLTP-UHFFFAOYSA-N 2 2 280.332 -1.317 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCC1 ZINC001135759715 781382814 /nfs/dbraw/zinc/38/28/14/781382814.db2.gz CGVGVVHIZZSXFS-UHFFFAOYSA-N 2 2 265.317 -1.110 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760585 781383425 /nfs/dbraw/zinc/38/34/25/781383425.db2.gz OPZLEBVQFAMUTK-QMMMGPOBSA-N 2 2 296.331 -1.498 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754684 781384217 /nfs/dbraw/zinc/38/42/17/781384217.db2.gz HDDAPBNCFXYGTE-UHFFFAOYSA-N 2 2 282.304 -1.886 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001135755010 781384582 /nfs/dbraw/zinc/38/45/82/781384582.db2.gz KXMNAPABYPEMNE-UHFFFAOYSA-N 2 2 295.343 -1.483 20 0 CAADLP CC[C@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001135757731 781384753 /nfs/dbraw/zinc/38/47/53/781384753.db2.gz NEPROILEWHTXAT-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246451475 781438105 /nfs/dbraw/zinc/43/81/05/781438105.db2.gz HGXQREQOCHCXPT-QWRGUYRKSA-N 3 2 258.366 -1.192 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)CN1 ZINC001246088087 781404465 /nfs/dbraw/zinc/40/44/65/781404465.db2.gz IPEJOCAQYJJQKH-VWYCJHECSA-N 2 2 257.334 -1.142 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090538687 781410091 /nfs/dbraw/zinc/41/00/91/781410091.db2.gz KDMNUGVAKKJKIP-VXGBXAGGSA-N 2 2 298.387 -1.635 20 0 CAADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC001090538687 781410096 /nfs/dbraw/zinc/41/00/96/781410096.db2.gz KDMNUGVAKKJKIP-VXGBXAGGSA-N 2 2 298.387 -1.635 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)CN1 ZINC001246161802 781411936 /nfs/dbraw/zinc/41/19/36/781411936.db2.gz LMLMUUCMRUDLIN-RYUDHWBXSA-N 2 2 289.376 -1.844 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090601476 781411987 /nfs/dbraw/zinc/41/19/87/781411987.db2.gz RSVVIZDCKGVBNA-MNOVXSKESA-N 2 2 268.317 -1.504 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CN1 ZINC001246228884 781416372 /nfs/dbraw/zinc/41/63/72/781416372.db2.gz HFEIGJBMTXLTEA-RYUDHWBXSA-N 2 2 271.361 -1.064 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090677999 781422016 /nfs/dbraw/zinc/42/20/16/781422016.db2.gz CUKMSOLNDBJMRR-VHSXEESVSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090677999 781422023 /nfs/dbraw/zinc/42/20/23/781422023.db2.gz CUKMSOLNDBJMRR-VHSXEESVSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090677997 781422322 /nfs/dbraw/zinc/42/23/22/781422322.db2.gz CUKMSOLNDBJMRR-NXEZZACHSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090677997 781422323 /nfs/dbraw/zinc/42/23/23/781422323.db2.gz CUKMSOLNDBJMRR-NXEZZACHSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090678998 781422923 /nfs/dbraw/zinc/42/29/23/781422923.db2.gz KKDFQENWRWOIRH-WDEREUQCSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090678998 781422934 /nfs/dbraw/zinc/42/29/34/781422934.db2.gz KKDFQENWRWOIRH-WDEREUQCSA-N 2 2 282.344 -1.114 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731355 781426076 /nfs/dbraw/zinc/42/60/76/781426076.db2.gz QHRKKAYBLNVDCW-GHMZBOCLSA-N 2 2 296.371 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731355 781426083 /nfs/dbraw/zinc/42/60/83/781426083.db2.gz QHRKKAYBLNVDCW-GHMZBOCLSA-N 2 2 296.371 -1.881 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090728464 781426432 /nfs/dbraw/zinc/42/64/32/781426432.db2.gz SIWWKKHKTVWFLE-VXGBXAGGSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090728464 781426437 /nfs/dbraw/zinc/42/64/37/781426437.db2.gz SIWWKKHKTVWFLE-VXGBXAGGSA-N 2 2 282.344 -1.494 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731357 781427070 /nfs/dbraw/zinc/42/70/70/781427070.db2.gz QHRKKAYBLNVDCW-QWRGUYRKSA-N 2 2 296.371 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731357 781427077 /nfs/dbraw/zinc/42/70/77/781427077.db2.gz QHRKKAYBLNVDCW-QWRGUYRKSA-N 2 2 296.371 -1.881 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090728450 781427550 /nfs/dbraw/zinc/42/75/50/781427550.db2.gz SCLGFUDSMCSBNJ-OLZOCXBDSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090728450 781427552 /nfs/dbraw/zinc/42/75/52/781427552.db2.gz SCLGFUDSMCSBNJ-OLZOCXBDSA-N 2 2 296.371 -1.104 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2CO)CN1 ZINC001246319047 781428597 /nfs/dbraw/zinc/42/85/97/781428597.db2.gz CBMZXBFZIREFLH-YTWAJWBKSA-N 2 2 257.334 -1.550 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818908 781434974 /nfs/dbraw/zinc/43/49/74/781434974.db2.gz XOLDKQNCYSAXKC-WDEREUQCSA-N 2 2 284.360 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818908 781434981 /nfs/dbraw/zinc/43/49/81/781434981.db2.gz XOLDKQNCYSAXKC-WDEREUQCSA-N 2 2 284.360 -1.881 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812233 781435061 /nfs/dbraw/zinc/43/50/61/781435061.db2.gz FZNTXJNIJKVUFM-RYUDHWBXSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812233 781435066 /nfs/dbraw/zinc/43/50/66/781435066.db2.gz FZNTXJNIJKVUFM-RYUDHWBXSA-N 2 2 298.387 -1.620 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818907 781435539 /nfs/dbraw/zinc/43/55/39/781435539.db2.gz XOLDKQNCYSAXKC-QWRGUYRKSA-N 2 2 284.360 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090818907 781435541 /nfs/dbraw/zinc/43/55/41/781435541.db2.gz XOLDKQNCYSAXKC-QWRGUYRKSA-N 2 2 284.360 -1.881 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090810409 781435759 /nfs/dbraw/zinc/43/57/59/781435759.db2.gz XMICUGZCLSZCDK-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090810409 781435764 /nfs/dbraw/zinc/43/57/64/781435764.db2.gz XMICUGZCLSZCDK-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090848620 781436923 /nfs/dbraw/zinc/43/69/23/781436923.db2.gz GTLILPOULHDMGC-RYUDHWBXSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090848620 781436931 /nfs/dbraw/zinc/43/69/31/781436931.db2.gz GTLILPOULHDMGC-RYUDHWBXSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090848619 781436999 /nfs/dbraw/zinc/43/69/99/781436999.db2.gz GTLILPOULHDMGC-NWDGAFQWSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090848619 781437000 /nfs/dbraw/zinc/43/70/00/781437000.db2.gz GTLILPOULHDMGC-NWDGAFQWSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090848618 781437186 /nfs/dbraw/zinc/43/71/86/781437186.db2.gz GTLILPOULHDMGC-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090848618 781437190 /nfs/dbraw/zinc/43/71/90/781437190.db2.gz GTLILPOULHDMGC-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090848402 781437605 /nfs/dbraw/zinc/43/76/05/781437605.db2.gz GCNFUHPCNXSELV-GHMZBOCLSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090848402 781437609 /nfs/dbraw/zinc/43/76/09/781437609.db2.gz GCNFUHPCNXSELV-GHMZBOCLSA-N 2 2 268.317 -1.573 20 0 CAADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CN1 ZINC001246495319 781438820 /nfs/dbraw/zinc/43/88/20/781438820.db2.gz JDCZOCHYQOEWKV-VWYCJHECSA-N 2 2 256.350 -1.569 20 0 CAADLP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160439522 781439506 /nfs/dbraw/zinc/43/95/06/781439506.db2.gz LTOWCETXDLCLSU-IUCAKERBSA-N 2 2 286.332 -2.057 20 0 CAADLP CCN(CCC(N)=O)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160471419 781440549 /nfs/dbraw/zinc/44/05/49/781440549.db2.gz XLGPCTQNZSBFRF-LNLATYFQSA-N 2 2 254.334 -1.068 20 0 CAADLP C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160451661 781441009 /nfs/dbraw/zinc/44/10/09/781441009.db2.gz SXBNCPWNOBOYNK-KOLCDFICSA-N 2 2 283.376 -1.916 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144141720 781444592 /nfs/dbraw/zinc/44/45/92/781444592.db2.gz GGTSLRREZYQWDQ-SECBINFHSA-N 2 2 257.338 -1.351 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144141720 781444594 /nfs/dbraw/zinc/44/45/94/781444594.db2.gz GGTSLRREZYQWDQ-SECBINFHSA-N 2 2 257.338 -1.351 20 0 CAADLP CN(CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C(N)=[NH2+] ZINC001144144433 781445851 /nfs/dbraw/zinc/44/58/51/781445851.db2.gz XVKRJSKFJWRTEQ-MRVPVSSYSA-N 2 2 254.294 -1.745 20 0 CAADLP CN(CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C(N)=[NH2+] ZINC001144144433 781445858 /nfs/dbraw/zinc/44/58/58/781445858.db2.gz XVKRJSKFJWRTEQ-MRVPVSSYSA-N 2 2 254.294 -1.745 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CN(C)C(N)=[NH2+] ZINC001144143954 781445991 /nfs/dbraw/zinc/44/59/91/781445991.db2.gz WKSJRAUZTIAEQB-VIFPVBQESA-N 2 2 296.331 -1.554 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160531082 781447109 /nfs/dbraw/zinc/44/71/09/781447109.db2.gz FEYOMWPPHRCVMF-RISCZKNCSA-N 2 2 296.371 -1.745 20 0 CAADLP NC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001160548395 781451571 /nfs/dbraw/zinc/45/15/71/781451571.db2.gz FPPUYSJZYCJRET-XFWSIPNHSA-N 2 2 252.318 -1.730 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160643866 781457740 /nfs/dbraw/zinc/45/77/40/781457740.db2.gz OWFYWMAPUPPGLH-UWVGGRQHSA-N 3 2 253.306 -1.534 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160643812 781458423 /nfs/dbraw/zinc/45/84/23/781458423.db2.gz NRJFXLLCKVMGEG-SCVCMEIPSA-N 3 2 254.334 -1.876 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160658389 781462619 /nfs/dbraw/zinc/46/26/19/781462619.db2.gz WINVYWNSHVTEGT-KCJUWKMLSA-N 2 2 288.373 -2.302 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160658385 781462795 /nfs/dbraw/zinc/46/27/95/781462795.db2.gz WINVYWNSHVTEGT-GZMMTYOYSA-N 2 2 288.373 -2.302 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704570 781463785 /nfs/dbraw/zinc/46/37/85/781463785.db2.gz LVRKWAWRKSLCKO-OPDFLTKYSA-N 3 2 264.373 -1.042 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001160704570 781463789 /nfs/dbraw/zinc/46/37/89/781463789.db2.gz LVRKWAWRKSLCKO-OPDFLTKYSA-N 3 2 264.373 -1.042 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCO1 ZINC001160705319 781463934 /nfs/dbraw/zinc/46/39/34/781463934.db2.gz VGASXUPWFSDXIX-NEPJUHHUSA-N 2 2 292.339 -1.029 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]2C1 ZINC001160703868 781464362 /nfs/dbraw/zinc/46/43/62/781464362.db2.gz GPPLZENJGQNVTF-YIZRAAEISA-N 2 2 265.321 -1.911 20 0 CAADLP CNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171227292 781465322 /nfs/dbraw/zinc/46/53/22/781465322.db2.gz NFCLLDNOCPQUCO-UHFFFAOYSA-N 2 2 267.333 -1.196 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CCCO)CC2)C[NH2+]1 ZINC001246607723 781466168 /nfs/dbraw/zinc/46/61/68/781466168.db2.gz XEEATVIMHUXZNO-RYUDHWBXSA-N 2 2 271.361 -1.110 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171238072 781466846 /nfs/dbraw/zinc/46/68/46/781466846.db2.gz LGJDYEWBSLBAAM-LLVKDONJSA-N 2 2 279.344 -1.053 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001171238059 781466910 /nfs/dbraw/zinc/46/69/10/781466910.db2.gz LBVHICXYBWRXBX-UHFFFAOYSA-N 2 2 292.347 -1.218 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627277 781477027 /nfs/dbraw/zinc/47/70/27/781477027.db2.gz UWCQIFLANKQCPQ-NTZNESFSSA-N 3 2 268.361 -1.473 20 0 CAADLP CCC[N@H+](CC(=O)NC)CC(=O)N1CC[NH2+]CC1 ZINC000042405076 781477443 /nfs/dbraw/zinc/47/74/43/781477443.db2.gz LEDJFMSQWRYZAD-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CCC[N@@H+](CC(=O)NC)CC(=O)N1CC[NH2+]CC1 ZINC000042405076 781477448 /nfs/dbraw/zinc/47/74/48/781477448.db2.gz LEDJFMSQWRYZAD-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCc2[nH+]ccn2CC1 ZINC001160761343 781477462 /nfs/dbraw/zinc/47/74/62/781477462.db2.gz YZEXGBOONCKCTR-VHSXEESVSA-N 2 2 250.302 -1.152 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790564 781478443 /nfs/dbraw/zinc/47/84/43/781478443.db2.gz QIXNMVNNGJPSHO-WHOHXGKFSA-N 2 2 294.355 -1.994 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160839231 781480158 /nfs/dbraw/zinc/48/01/58/781480158.db2.gz RMMIAAWRWLFCLI-SFTQSGBHSA-N 3 2 282.388 -1.003 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(O)COC1 ZINC001146890291 781491761 /nfs/dbraw/zinc/49/17/61/781491761.db2.gz DQEHTHXJZGHIIB-UHFFFAOYSA-N 2 2 259.350 -1.253 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(O)COC1 ZINC001146890291 781491771 /nfs/dbraw/zinc/49/17/71/781491771.db2.gz DQEHTHXJZGHIIB-UHFFFAOYSA-N 2 2 259.350 -1.253 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009699 781493585 /nfs/dbraw/zinc/49/35/85/781493585.db2.gz WTRJXNXYVWCAJI-GARJFASQSA-N 3 2 268.361 -1.752 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161009459 781494162 /nfs/dbraw/zinc/49/41/62/781494162.db2.gz VWKYPAWZHBICAU-OUAUKWLOSA-N 3 2 268.361 -1.609 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161009452 781494278 /nfs/dbraw/zinc/49/42/78/781494278.db2.gz VWKYPAWZHBICAU-GARJFASQSA-N 3 2 268.361 -1.609 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001149123523 781496070 /nfs/dbraw/zinc/49/60/70/781496070.db2.gz KNRLUDBMQPIHDV-VIFPVBQESA-N 2 2 293.327 -1.228 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001149124971 781515212 /nfs/dbraw/zinc/51/52/12/781515212.db2.gz ZDXWFVGWBHUVEA-SECBINFHSA-N 2 2 265.317 -1.145 20 0 CAADLP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cnon1 ZINC001147886348 781523144 /nfs/dbraw/zinc/52/31/44/781523144.db2.gz VCBMDOUZBWVMMW-UHFFFAOYSA-N 2 2 271.321 -1.146 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCOCCO ZINC001147871985 781524322 /nfs/dbraw/zinc/52/43/22/781524322.db2.gz WBLNXFGAPUMBPF-UHFFFAOYSA-N 2 2 270.333 -1.323 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001147877547 781525112 /nfs/dbraw/zinc/52/51/12/781525112.db2.gz LFYSNDUAEBSALB-NSHDSACASA-N 2 2 279.344 -1.101 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001147871910 781525230 /nfs/dbraw/zinc/52/52/30/781525230.db2.gz RLELBXPBDIWFNS-UHFFFAOYSA-N 2 2 294.359 -1.306 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001147871987 781525260 /nfs/dbraw/zinc/52/52/60/781525260.db2.gz WFLFVSXEDBVKQA-LLVKDONJSA-N 2 2 279.344 -1.053 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001147900126 781525478 /nfs/dbraw/zinc/52/54/78/781525478.db2.gz IAGRDYKCNQXKNI-UHFFFAOYSA-N 2 2 277.332 -1.003 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001147871653 781525661 /nfs/dbraw/zinc/52/56/61/781525661.db2.gz GYIJVTDZDPXTFD-JTQLQIEISA-N 2 2 293.327 -1.526 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001161139271 781538744 /nfs/dbraw/zinc/53/87/44/781538744.db2.gz PSPORJMXJATLNS-JOYOIKCWSA-N 2 2 271.317 -1.532 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC001161138866 781538832 /nfs/dbraw/zinc/53/88/32/781538832.db2.gz FQATXCOISUMCTR-XLDPMVHQSA-N 2 2 257.290 -2.331 20 0 CAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521782 781548049 /nfs/dbraw/zinc/54/80/49/781548049.db2.gz DJTMTFFWUSJLJG-UTUOFQBUSA-N 2 2 298.387 -1.514 20 0 CAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521782 781548056 /nfs/dbraw/zinc/54/80/56/781548056.db2.gz DJTMTFFWUSJLJG-UTUOFQBUSA-N 2 2 298.387 -1.514 20 0 CAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092521782 781548062 /nfs/dbraw/zinc/54/80/62/781548062.db2.gz DJTMTFFWUSJLJG-UTUOFQBUSA-N 2 2 298.387 -1.514 20 0 CAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092521782 781548067 /nfs/dbraw/zinc/54/80/67/781548067.db2.gz DJTMTFFWUSJLJG-UTUOFQBUSA-N 2 2 298.387 -1.514 20 0 CAADLP COCCC[NH+]1CCC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001172248997 781575663 /nfs/dbraw/zinc/57/56/63/781575663.db2.gz FGFWKJSCQYADOT-NSHDSACASA-N 2 2 286.376 -1.194 20 0 CAADLP COCCC[NH+]1CCC([NH2+][C@@H](CO)C(N)=O)CC1 ZINC001172247628 781576558 /nfs/dbraw/zinc/57/65/58/781576558.db2.gz REAFXHJORSJABG-NSHDSACASA-N 2 2 259.350 -1.077 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176071831 781597871 /nfs/dbraw/zinc/59/78/71/781597871.db2.gz ISXXYDRTTBFHJY-SNVBAGLBSA-N 2 2 281.364 -1.242 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176071831 781597875 /nfs/dbraw/zinc/59/78/75/781597875.db2.gz ISXXYDRTTBFHJY-SNVBAGLBSA-N 2 2 281.364 -1.242 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)n1 ZINC001176095148 781598054 /nfs/dbraw/zinc/59/80/54/781598054.db2.gz ABLSNAKCLKMXFX-UHFFFAOYSA-N 2 2 281.364 -1.098 20 0 CAADLP COC[C@H](O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404443 781618675 /nfs/dbraw/zinc/61/86/75/781618675.db2.gz AGSKBRZMJPONTO-LLVKDONJSA-N 2 2 270.333 -1.014 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+][C@H]1CCNC1=O ZINC001177404530 781619172 /nfs/dbraw/zinc/61/91/72/781619172.db2.gz CPIZIUZVSIFTHB-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP COC[C@@H](O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404446 781619704 /nfs/dbraw/zinc/61/97/04/781619704.db2.gz AGSKBRZMJPONTO-NSHDSACASA-N 2 2 270.333 -1.014 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001178702076 781637814 /nfs/dbraw/zinc/63/78/14/781637814.db2.gz QISWNTMPMMTTSG-CHWFTXMASA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001178702076 781637819 /nfs/dbraw/zinc/63/78/19/781637819.db2.gz QISWNTMPMMTTSG-CHWFTXMASA-N 2 2 268.365 -2.010 20 0 CAADLP C[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)[NH+]1CCCC1 ZINC001180585282 781669820 /nfs/dbraw/zinc/66/98/20/781669820.db2.gz KIEAKGURNVRFPU-ZNSHCXBVSA-N 2 2 268.365 -2.010 20 0 CAADLP C[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[NH+]1CCCC1 ZINC001180585280 781669988 /nfs/dbraw/zinc/66/99/88/781669988.db2.gz KIEAKGURNVRFPU-VPOLOUISSA-N 2 2 268.365 -2.010 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180758216 781675075 /nfs/dbraw/zinc/67/50/75/781675075.db2.gz ANGXHJJDOUTNGF-SECBINFHSA-N 3 2 257.338 -1.222 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180758216 781675082 /nfs/dbraw/zinc/67/50/82/781675082.db2.gz ANGXHJJDOUTNGF-SECBINFHSA-N 3 2 257.338 -1.222 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001180761507 781675880 /nfs/dbraw/zinc/67/58/80/781675880.db2.gz ZFQCLPNNTYFNDK-VIFPVBQESA-N 2 2 251.290 -1.208 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001180761507 781675887 /nfs/dbraw/zinc/67/58/87/781675887.db2.gz ZFQCLPNNTYFNDK-VIFPVBQESA-N 2 2 251.290 -1.208 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001180761605 781677365 /nfs/dbraw/zinc/67/73/65/781677365.db2.gz BVDPVECITFSFGB-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001180761605 781677372 /nfs/dbraw/zinc/67/73/72/781677372.db2.gz BVDPVECITFSFGB-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001151049681 781696306 /nfs/dbraw/zinc/69/63/06/781696306.db2.gz WALBRCPSPBFPOF-SECBINFHSA-N 2 2 282.348 -1.734 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001151049681 781696310 /nfs/dbraw/zinc/69/63/10/781696310.db2.gz WALBRCPSPBFPOF-SECBINFHSA-N 2 2 282.348 -1.734 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822594 781700992 /nfs/dbraw/zinc/70/09/92/781700992.db2.gz SHPJZYNCJIZXPF-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822594 781700997 /nfs/dbraw/zinc/70/09/97/781700997.db2.gz SHPJZYNCJIZXPF-GHMZBOCLSA-N 2 2 284.360 -1.747 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822573 781701508 /nfs/dbraw/zinc/70/15/08/781701508.db2.gz RWTDPGICBJXXJW-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822573 781701516 /nfs/dbraw/zinc/70/15/16/781701516.db2.gz RWTDPGICBJXXJW-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822570 781702106 /nfs/dbraw/zinc/70/21/06/781702106.db2.gz RWTDPGICBJXXJW-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822570 781702112 /nfs/dbraw/zinc/70/21/12/781702112.db2.gz RWTDPGICBJXXJW-NEPJUHHUSA-N 2 2 298.387 -1.404 20 0 CAADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001182002528 781703754 /nfs/dbraw/zinc/70/37/54/781703754.db2.gz UNUKQNAAMQRVEU-WISYIIOYSA-N 2 2 282.392 -1.620 20 0 CAADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001182002528 781703760 /nfs/dbraw/zinc/70/37/60/781703760.db2.gz UNUKQNAAMQRVEU-WISYIIOYSA-N 2 2 282.392 -1.620 20 0 CAADLP C[NH+]1CCC(O)(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001182036851 781704639 /nfs/dbraw/zinc/70/46/39/781704639.db2.gz ZQLSKUHFBXQPOU-LLVKDONJSA-N 2 2 282.344 -1.114 20 0 CAADLP C[NH+]1CCC(O)(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001182036851 781704645 /nfs/dbraw/zinc/70/46/45/781704645.db2.gz ZQLSKUHFBXQPOU-LLVKDONJSA-N 2 2 282.344 -1.114 20 0 CAADLP C[NH+](C)C1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001182602178 781725968 /nfs/dbraw/zinc/72/59/68/781725968.db2.gz ZHNZIJPXOXDFGU-VGMNWLOBSA-N 2 2 254.338 -2.400 20 0 CAADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001182871658 781729870 /nfs/dbraw/zinc/72/98/70/781729870.db2.gz SOMKIEWAYQNMKG-XWLWVQCSSA-N 2 2 268.365 -2.012 20 0 CAADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001182871658 781729871 /nfs/dbraw/zinc/72/98/71/781729871.db2.gz SOMKIEWAYQNMKG-XWLWVQCSSA-N 2 2 268.365 -2.012 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001185261892 781779831 /nfs/dbraw/zinc/77/98/31/781779831.db2.gz IXOPPJPCSLVKDG-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001185261892 781779835 /nfs/dbraw/zinc/77/98/35/781779835.db2.gz IXOPPJPCSLVKDG-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001185261892 781779841 /nfs/dbraw/zinc/77/98/41/781779841.db2.gz IXOPPJPCSLVKDG-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001185261892 781779846 /nfs/dbraw/zinc/77/98/46/781779846.db2.gz IXOPPJPCSLVKDG-VXGBXAGGSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001185266740 781780852 /nfs/dbraw/zinc/78/08/52/781780852.db2.gz FEPGXLMHZTYKLA-LBPRGKRZSA-N 2 2 282.388 -1.319 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001185266740 781780859 /nfs/dbraw/zinc/78/08/59/781780859.db2.gz FEPGXLMHZTYKLA-LBPRGKRZSA-N 2 2 282.388 -1.319 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001185269122 781780949 /nfs/dbraw/zinc/78/09/49/781780949.db2.gz JGMQVBJMFMXMMV-ZRUFSTJUSA-N 2 2 283.380 -3.249 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001185269122 781780954 /nfs/dbraw/zinc/78/09/54/781780954.db2.gz JGMQVBJMFMXMMV-ZRUFSTJUSA-N 2 2 283.380 -3.249 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001185269120 781782299 /nfs/dbraw/zinc/78/22/99/781782299.db2.gz JGMQVBJMFMXMMV-VLEAKVRGSA-N 2 2 283.380 -3.249 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001185269120 781782304 /nfs/dbraw/zinc/78/23/04/781782304.db2.gz JGMQVBJMFMXMMV-VLEAKVRGSA-N 2 2 283.380 -3.249 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001151738275 781848247 /nfs/dbraw/zinc/84/82/47/781848247.db2.gz HKXGQTHFRSVQFP-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001151738275 781848252 /nfs/dbraw/zinc/84/82/52/781848252.db2.gz HKXGQTHFRSVQFP-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001151749375 781851070 /nfs/dbraw/zinc/85/10/70/781851070.db2.gz WLSARMXQYSMUQG-SNVBAGLBSA-N 2 2 297.363 -1.863 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001151749375 781851082 /nfs/dbraw/zinc/85/10/82/781851082.db2.gz WLSARMXQYSMUQG-SNVBAGLBSA-N 2 2 297.363 -1.863 20 0 CAADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(N)=O ZINC001420343662 890431688 /nfs/dbraw/zinc/43/16/88/890431688.db2.gz HHOWDQZEJIWKMC-UHFFFAOYSA-N 2 2 285.348 -1.675 20 0 CAADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(N)=O ZINC001420343662 890431693 /nfs/dbraw/zinc/43/16/93/890431693.db2.gz HHOWDQZEJIWKMC-UHFFFAOYSA-N 2 2 285.348 -1.675 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299835 890663918 /nfs/dbraw/zinc/66/39/18/890663918.db2.gz JUHBNEVSNKKCRX-ZJUUUORDSA-N 2 2 288.348 -2.741 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299835 890663922 /nfs/dbraw/zinc/66/39/22/890663922.db2.gz JUHBNEVSNKKCRX-ZJUUUORDSA-N 2 2 288.348 -2.741 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299830 890665515 /nfs/dbraw/zinc/66/55/15/890665515.db2.gz JUHBNEVSNKKCRX-UWVGGRQHSA-N 2 2 288.348 -2.741 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299830 890665519 /nfs/dbraw/zinc/66/55/19/890665519.db2.gz JUHBNEVSNKKCRX-UWVGGRQHSA-N 2 2 288.348 -2.741 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001423474069 890676788 /nfs/dbraw/zinc/67/67/88/890676788.db2.gz AGLKOHKSZKHYMJ-SNVBAGLBSA-N 2 2 283.332 -2.143 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001425738375 890807565 /nfs/dbraw/zinc/80/75/65/890807565.db2.gz RYMZHWBJQWMPKH-NXEZZACHSA-N 2 2 288.348 -2.870 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001425738375 890807576 /nfs/dbraw/zinc/80/75/76/890807576.db2.gz RYMZHWBJQWMPKH-NXEZZACHSA-N 2 2 288.348 -2.870 20 0 CAADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001425789650 890818244 /nfs/dbraw/zinc/81/82/44/890818244.db2.gz PSKHCYXGBBYUCT-QWRGUYRKSA-N 2 2 284.360 -1.200 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001425831288 890830185 /nfs/dbraw/zinc/83/01/85/890830185.db2.gz BPVGQZVHQFBCNZ-DTWKUNHWSA-N 2 2 283.332 -1.799 20 0 CAADLP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001425829412 890828821 /nfs/dbraw/zinc/82/88/21/890828821.db2.gz SXKCBIWQAUNRIA-ZJUUUORDSA-N 2 2 283.332 -1.717 20 0 CAADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317572453 884223194 /nfs/dbraw/zinc/22/31/94/884223194.db2.gz GLPODYISZDMWKA-JTQLQIEISA-N 2 2 281.364 -1.148 20 0 CAADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317572453 884223211 /nfs/dbraw/zinc/22/32/11/884223211.db2.gz GLPODYISZDMWKA-JTQLQIEISA-N 2 2 281.364 -1.148 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319551216 884339736 /nfs/dbraw/zinc/33/97/36/884339736.db2.gz MUKQBOUQAWBWDR-MRVPVSSYSA-N 2 2 253.306 -1.126 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001320285380 884408998 /nfs/dbraw/zinc/40/89/98/884408998.db2.gz ZNWRDXQYOIGFHB-KOLCDFICSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001320285380 884409005 /nfs/dbraw/zinc/40/90/05/884409005.db2.gz ZNWRDXQYOIGFHB-KOLCDFICSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320318087 884413658 /nfs/dbraw/zinc/41/36/58/884413658.db2.gz UIPXMNBZSPURCI-ZJUUUORDSA-N 2 2 256.306 -1.669 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001321938640 884530554 /nfs/dbraw/zinc/53/05/54/884530554.db2.gz HBQWSMOFRGLOMI-VIFPVBQESA-N 2 2 253.306 -1.147 20 0 CAADLP [NH3+]CCCOCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC001331731581 885325882 /nfs/dbraw/zinc/32/58/82/885325882.db2.gz PHCFEAXGVDPLHX-UHFFFAOYSA-N 2 2 283.332 -1.519 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001331759911 885336363 /nfs/dbraw/zinc/33/63/63/885336363.db2.gz XMHAPGKYLFGJJC-VIFPVBQESA-N 2 2 269.305 -2.175 20 0 CAADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001333376631 885474942 /nfs/dbraw/zinc/47/49/42/885474942.db2.gz VVBMICFQUTWKFC-UWVGGRQHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001336000073 885643883 /nfs/dbraw/zinc/64/38/83/885643883.db2.gz JKBQWWPTJQVGDP-ZIAGYGMSSA-N 3 2 286.420 -1.749 20 0 CAADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340786025 885816542 /nfs/dbraw/zinc/81/65/42/885816542.db2.gz IKRZYIPJWSQTCU-INTQDDNPSA-N 2 2 250.302 -1.106 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001340847035 885814822 /nfs/dbraw/zinc/81/48/22/885814822.db2.gz MFMDJMIMFMFATE-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001340847035 885814835 /nfs/dbraw/zinc/81/48/35/885814835.db2.gz MFMDJMIMFMFATE-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H](O)C[NH3+])[C@H](C)CO1 ZINC001341353178 885834495 /nfs/dbraw/zinc/83/44/95/885834495.db2.gz ZESWODWHJOOCQD-MXWKQRLJSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H](O)C[NH3+])[C@H](C)CO1 ZINC001341353178 885834503 /nfs/dbraw/zinc/83/45/03/885834503.db2.gz ZESWODWHJOOCQD-MXWKQRLJSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H](O)C[NH3+])[C@@H](C)CO1 ZINC001341353177 885834560 /nfs/dbraw/zinc/83/45/60/885834560.db2.gz ZESWODWHJOOCQD-HBNTYKKESA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H](O)C[NH3+])[C@@H](C)CO1 ZINC001341353177 885834571 /nfs/dbraw/zinc/83/45/71/885834571.db2.gz ZESWODWHJOOCQD-HBNTYKKESA-N 2 2 259.350 -1.079 20 0 CAADLP C[NH+](C)CC(=O)NC[C@H](C[NH3+])NC(=O)C[NH+](C)C ZINC001342179180 885874945 /nfs/dbraw/zinc/87/49/45/885874945.db2.gz MCOYLPKCZNSMBR-VIFPVBQESA-N 3 2 259.354 -2.331 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](O)C[NH3+] ZINC001342303832 885882574 /nfs/dbraw/zinc/88/25/74/885882574.db2.gz RGFYKYNFPLECOU-GHMZBOCLSA-N 2 2 259.350 -1.125 20 0 CAADLP CN(CC1CC[NH2+]CC1)C(=O)CN1CC[NH2+]CC1=O ZINC001342790190 885898337 /nfs/dbraw/zinc/89/83/37/885898337.db2.gz FEPQGXMTQJYXAT-UHFFFAOYSA-N 2 2 268.361 -1.124 20 0 CAADLP CC1(C)C[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC001342982629 885904684 /nfs/dbraw/zinc/90/46/84/885904684.db2.gz UWBDAOSHFLEIPI-SECBINFHSA-N 2 2 254.334 -1.468 20 0 CAADLP C[C@H](C(=O)N[C@H]1C[NH2+]CC12CC2)N1CC[NH2+]CC1=O ZINC001343640197 885920328 /nfs/dbraw/zinc/92/03/28/885920328.db2.gz GICOKPKLZDWPGC-ZJUUUORDSA-N 2 2 266.345 -1.325 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428171 886005551 /nfs/dbraw/zinc/00/55/51/886005551.db2.gz VDWWYTYIJJPPSX-GARJFASQSA-N 2 2 285.344 -1.870 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428171 886005560 /nfs/dbraw/zinc/00/55/60/886005560.db2.gz VDWWYTYIJJPPSX-GARJFASQSA-N 2 2 285.344 -1.870 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428171 886005564 /nfs/dbraw/zinc/00/55/64/886005564.db2.gz VDWWYTYIJJPPSX-GARJFASQSA-N 2 2 285.344 -1.870 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428171 886005569 /nfs/dbraw/zinc/00/55/69/886005569.db2.gz VDWWYTYIJJPPSX-GARJFASQSA-N 2 2 285.344 -1.870 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001348043012 886061770 /nfs/dbraw/zinc/06/17/70/886061770.db2.gz NLOYDKNNTINRFA-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001348043012 886061777 /nfs/dbraw/zinc/06/17/77/886061777.db2.gz NLOYDKNNTINRFA-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH+]1CCN(CCCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC001350405026 886170887 /nfs/dbraw/zinc/17/08/87/886170887.db2.gz HIGIPSRWUZWIDY-UHFFFAOYSA-N 2 2 270.377 -1.536 20 0 CAADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001351768074 886229502 /nfs/dbraw/zinc/22/95/02/886229502.db2.gz NSSIRECKWKPUOT-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001351768074 886229520 /nfs/dbraw/zinc/22/95/20/886229520.db2.gz NSSIRECKWKPUOT-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)C(C)(C)O)CC1=O ZINC001363819402 886992294 /nfs/dbraw/zinc/99/22/94/886992294.db2.gz YTSQBUHVUHBRER-LLVKDONJSA-N 2 2 273.377 -1.176 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C(C)(C)O)CC1=O ZINC001363819402 886992310 /nfs/dbraw/zinc/99/23/10/886992310.db2.gz YTSQBUHVUHBRER-LLVKDONJSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnnn1C ZINC001366361608 887297396 /nfs/dbraw/zinc/29/73/96/887297396.db2.gz YKGPQLMINRBPSL-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366520765 887302004 /nfs/dbraw/zinc/30/20/04/887302004.db2.gz HVTHNAWPZMNMHH-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366520743 887305353 /nfs/dbraw/zinc/30/53/53/887305353.db2.gz HVTHNAWPZMNMHH-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366520743 887305360 /nfs/dbraw/zinc/30/53/60/887305360.db2.gz HVTHNAWPZMNMHH-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376141485 887910668 /nfs/dbraw/zinc/91/06/68/887910668.db2.gz JONSDJDYCKBYOH-NSHDSACASA-N 2 2 271.361 -1.374 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001376141485 887910680 /nfs/dbraw/zinc/91/06/80/887910680.db2.gz JONSDJDYCKBYOH-NSHDSACASA-N 2 2 271.361 -1.374 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242056 888045930 /nfs/dbraw/zinc/04/59/30/888045930.db2.gz XOFVYLBTODOXFI-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)C1 ZINC001378242056 888045957 /nfs/dbraw/zinc/04/59/57/888045957.db2.gz XOFVYLBTODOXFI-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)C1 ZINC001378242056 888045967 /nfs/dbraw/zinc/04/59/67/888045967.db2.gz XOFVYLBTODOXFI-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC[N@H+]1C ZINC001378288113 888048814 /nfs/dbraw/zinc/04/88/14/888048814.db2.gz YIXRHPPXBDZUMQ-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[NH+](C)CCC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001381686584 888263037 /nfs/dbraw/zinc/26/30/37/888263037.db2.gz MCIRMPQEQITNBQ-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)Cn1cc[nH+]c1 ZINC001382483874 888366751 /nfs/dbraw/zinc/36/67/51/888366751.db2.gz YJDRZFUZPFZBLY-NSHDSACASA-N 2 2 270.333 -1.374 20 0 CAADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)Cn1cc[nH+]c1 ZINC001382483874 888366765 /nfs/dbraw/zinc/36/67/65/888366765.db2.gz YJDRZFUZPFZBLY-NSHDSACASA-N 2 2 270.333 -1.374 20 0 CAADLP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001402330501 889227938 /nfs/dbraw/zinc/22/79/38/889227938.db2.gz APGGHOBEWCLZOJ-WDEREUQCSA-N 2 2 273.377 -1.130 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403866557 889380505 /nfs/dbraw/zinc/38/05/05/889380505.db2.gz DNGOMLDWKMADNP-SNVBAGLBSA-N 2 2 283.332 -1.893 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001406265166 889501318 /nfs/dbraw/zinc/50/13/18/889501318.db2.gz CXJUZSQZJCKZNB-SCZZXKLOSA-N 2 2 283.332 -1.847 20 0 CAADLP COCC[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000923613319 883996900 /nfs/dbraw/zinc/99/69/00/883996900.db2.gz XEAYQDKNDKKHKP-JTQLQIEISA-N 2 2 277.390 -1.060 20 0 CAADLP COCC[N@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000923613319 883996910 /nfs/dbraw/zinc/99/69/10/883996910.db2.gz XEAYQDKNDKKHKP-JTQLQIEISA-N 2 2 277.390 -1.060 20 0 CAADLP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000923614524 883997433 /nfs/dbraw/zinc/99/74/33/883997433.db2.gz ARHXHVFFGYYEQL-SNVBAGLBSA-N 2 2 277.390 -1.154 20 0 CAADLP CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC[NH+](C)C ZINC001273589170 884100963 /nfs/dbraw/zinc/10/09/63/884100963.db2.gz ZBGRPDMOXHJOAC-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001317291265 884184792 /nfs/dbraw/zinc/18/47/92/884184792.db2.gz WEQFUMJDAKRSQF-UWVGGRQHSA-N 2 2 293.327 -1.217 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001317278415 884185060 /nfs/dbraw/zinc/18/50/60/884185060.db2.gz DFCXSWZFEYKHCS-RKDXNWHRSA-N 2 2 293.327 -1.148 20 0 CAADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001317279014 884185148 /nfs/dbraw/zinc/18/51/48/884185148.db2.gz GUHGHZGWUDUNRJ-IUCAKERBSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001317278411 884185615 /nfs/dbraw/zinc/18/56/15/884185615.db2.gz DFCXSWZFEYKHCS-BDAKNGLRSA-N 2 2 293.327 -1.148 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001317291263 884187001 /nfs/dbraw/zinc/18/70/01/884187001.db2.gz WEQFUMJDAKRSQF-NXEZZACHSA-N 2 2 293.327 -1.217 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001317452894 884196228 /nfs/dbraw/zinc/19/62/28/884196228.db2.gz GXYKLFJPPUIHPK-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001317452894 884196240 /nfs/dbraw/zinc/19/62/40/884196240.db2.gz GXYKLFJPPUIHPK-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317606652 884224751 /nfs/dbraw/zinc/22/47/51/884224751.db2.gz SBTLSIGEMNHTKS-JTQLQIEISA-N 2 2 279.344 -1.021 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001317610054 884228508 /nfs/dbraw/zinc/22/85/08/884228508.db2.gz CAESJQSHHVLAMD-UHFFFAOYSA-N 2 2 292.347 -1.037 20 0 CAADLP CNC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001317654930 884231659 /nfs/dbraw/zinc/23/16/59/884231659.db2.gz MTCASHMFMZXSSV-UHFFFAOYSA-N 2 2 267.333 -1.243 20 0 CAADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC(N)=O ZINC001319256530 884319320 /nfs/dbraw/zinc/31/93/20/884319320.db2.gz DUWUPJNEHZAGBF-QMMMGPOBSA-N 2 2 253.306 -1.221 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319551218 884339014 /nfs/dbraw/zinc/33/90/14/884339014.db2.gz MUKQBOUQAWBWDR-QMMMGPOBSA-N 2 2 253.306 -1.126 20 0 CAADLP COCC[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001320292620 884410377 /nfs/dbraw/zinc/41/03/77/884410377.db2.gz LPADJQAUKULSFY-VIFPVBQESA-N 2 2 256.306 -1.335 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001320291899 884411200 /nfs/dbraw/zinc/41/12/00/884411200.db2.gz GKSFRQVUIVQWGR-HTQZYQBOSA-N 2 2 269.305 -2.107 20 0 CAADLP CCN(CC[NH2+]CC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001320854188 884451488 /nfs/dbraw/zinc/45/14/88/884451488.db2.gz JTVDOUHRHHIUAU-UHFFFAOYSA-N 2 2 253.306 -1.124 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001321532458 884499926 /nfs/dbraw/zinc/49/99/26/884499926.db2.gz HMJADASCBRWIKC-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001321532458 884499935 /nfs/dbraw/zinc/49/99/35/884499935.db2.gz HMJADASCBRWIKC-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC001322733585 884574518 /nfs/dbraw/zinc/57/45/18/884574518.db2.gz YKPDPCKDSRUDKG-CYBMUJFWSA-N 2 2 283.420 -1.404 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1CC[NH+](C)CC1 ZINC001322733585 884574530 /nfs/dbraw/zinc/57/45/30/884574530.db2.gz YKPDPCKDSRUDKG-CYBMUJFWSA-N 2 2 283.420 -1.404 20 0 CAADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)CC[NH2+]CCO ZINC001326044797 884763335 /nfs/dbraw/zinc/76/33/35/884763335.db2.gz IBMFETFJILUVQX-GFCCVEGCSA-N 2 2 296.371 -1.152 20 0 CAADLP C[N@@H+]1CCN(Cc2cn(CC(N)=O)nn2)[C@H](C[NH3+])C1 ZINC001326203010 884773335 /nfs/dbraw/zinc/77/33/35/884773335.db2.gz YQSSUAAZBFGBAJ-SNVBAGLBSA-N 2 2 267.337 -2.162 20 0 CAADLP C[N@H+]1CCN(Cc2cn(CC(N)=O)nn2)[C@H](C[NH3+])C1 ZINC001326203010 884773345 /nfs/dbraw/zinc/77/33/45/884773345.db2.gz YQSSUAAZBFGBAJ-SNVBAGLBSA-N 2 2 267.337 -2.162 20 0 CAADLP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](CCO)CC2)nn1 ZINC001326346711 884789111 /nfs/dbraw/zinc/78/91/11/884789111.db2.gz NWZDCQRAKPYJQA-UHFFFAOYSA-N 2 2 296.375 -1.233 20 0 CAADLP O=C(CC[N@@H+]1CCn2ncnc2C1)N1CC[NH2+]CC1 ZINC001327088728 884859506 /nfs/dbraw/zinc/85/95/06/884859506.db2.gz AXHWMWHFHVUQCG-UHFFFAOYSA-N 2 2 264.333 -1.084 20 0 CAADLP O=C(CC[N@H+]1CCn2ncnc2C1)N1CC[NH2+]CC1 ZINC001327088728 884859527 /nfs/dbraw/zinc/85/95/27/884859527.db2.gz AXHWMWHFHVUQCG-UHFFFAOYSA-N 2 2 264.333 -1.084 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC001327196778 884866637 /nfs/dbraw/zinc/86/66/37/884866637.db2.gz WOBVECWAWQWRBF-VIFPVBQESA-N 2 2 254.334 -1.066 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC001327196778 884866648 /nfs/dbraw/zinc/86/66/48/884866648.db2.gz WOBVECWAWQWRBF-VIFPVBQESA-N 2 2 254.334 -1.066 20 0 CAADLP NC(=O)COC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC001327562598 884900773 /nfs/dbraw/zinc/90/07/73/884900773.db2.gz LXKUTKWGJAOFHK-NSHDSACASA-N 2 2 257.334 -1.059 20 0 CAADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597713 884909477 /nfs/dbraw/zinc/90/94/77/884909477.db2.gz SPCWAUFUVUUCRF-QWHCGFSZSA-N 3 2 254.378 -1.046 20 0 CAADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597713 884909495 /nfs/dbraw/zinc/90/94/95/884909495.db2.gz SPCWAUFUVUUCRF-QWHCGFSZSA-N 3 2 254.378 -1.046 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC001327601149 884909896 /nfs/dbraw/zinc/90/98/96/884909896.db2.gz GXDXSZKNTIQYSY-GUBZILKMSA-N 2 2 254.334 -1.210 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC001327601149 884909908 /nfs/dbraw/zinc/90/99/08/884909908.db2.gz GXDXSZKNTIQYSY-GUBZILKMSA-N 2 2 254.334 -1.210 20 0 CAADLP CNC(=O)C[NH+](C)C/C=C/C[N@@H+](C)CC(=O)NC ZINC001327616196 884914372 /nfs/dbraw/zinc/91/43/72/884914372.db2.gz LXQYKNVBXPWHNB-AATRIKPKSA-N 2 2 256.350 -1.102 20 0 CAADLP CNC(=O)C[NH+](C)C/C=C/C[N@H+](C)CC(=O)NC ZINC001327616196 884914388 /nfs/dbraw/zinc/91/43/88/884914388.db2.gz LXQYKNVBXPWHNB-AATRIKPKSA-N 2 2 256.350 -1.102 20 0 CAADLP CN(CCC[NH3+])C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001328354648 884970531 /nfs/dbraw/zinc/97/05/31/884970531.db2.gz QIYDLDOCPHEXDY-UHFFFAOYSA-N 2 2 267.333 -1.114 20 0 CAADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001328413654 884982562 /nfs/dbraw/zinc/98/25/62/884982562.db2.gz GCMISVWHNDKEIX-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001328428908 884986495 /nfs/dbraw/zinc/98/64/95/884986495.db2.gz KIIOSXQGXQNLCZ-JTQLQIEISA-N 2 2 259.350 -1.077 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001328428908 884986501 /nfs/dbraw/zinc/98/65/01/884986501.db2.gz KIIOSXQGXQNLCZ-JTQLQIEISA-N 2 2 259.350 -1.077 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001328974547 885039478 /nfs/dbraw/zinc/03/94/78/885039478.db2.gz PSYHXBPJKUVDEQ-SECBINFHSA-N 2 2 251.290 -1.523 20 0 CAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001329446538 885103421 /nfs/dbraw/zinc/10/34/21/885103421.db2.gz JKPSVRXKVIHTJA-NXEZZACHSA-N 2 2 277.328 -1.208 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC001329561551 885117858 /nfs/dbraw/zinc/11/78/58/885117858.db2.gz LHEPJLSWPNYELI-SECBINFHSA-N 2 2 258.322 -2.102 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC001329561551 885117862 /nfs/dbraw/zinc/11/78/62/885117862.db2.gz LHEPJLSWPNYELI-SECBINFHSA-N 2 2 258.322 -2.102 20 0 CAADLP C[NH+](C)CC[C@@H](N)C(=O)N1CC[NH+](CCO)CC1 ZINC001329758578 885138239 /nfs/dbraw/zinc/13/82/39/885138239.db2.gz HCRSEQKRUGDRAZ-LLVKDONJSA-N 2 2 258.366 -1.598 20 0 CAADLP C[NH2+]CCOCCNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001330018525 885165014 /nfs/dbraw/zinc/16/50/14/885165014.db2.gz DVYIAILQYOBITP-UHFFFAOYSA-N 2 2 297.359 -1.569 20 0 CAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001330025344 885166812 /nfs/dbraw/zinc/16/68/12/885166812.db2.gz WYPFIDGEJXCGLW-LLVKDONJSA-N 2 2 295.343 -1.588 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001330020782 885167039 /nfs/dbraw/zinc/16/70/39/885167039.db2.gz SNENPZZEUMBRSI-JTQLQIEISA-N 2 2 281.316 -1.896 20 0 CAADLP C[NH2+][C@@H](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001330596482 885211266 /nfs/dbraw/zinc/21/12/66/885211266.db2.gz KXJAMPHBPQYIKM-UWVGGRQHSA-N 2 2 256.350 -1.079 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CNC(=O)C1 ZINC001331142509 885252978 /nfs/dbraw/zinc/25/29/78/885252978.db2.gz BSPYBWKIZMSDLB-LLVKDONJSA-N 2 2 268.361 -1.172 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001331570248 885286409 /nfs/dbraw/zinc/28/64/09/885286409.db2.gz MIDAVUAURBWLLT-PHIMTYICSA-N 2 2 277.328 -1.038 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001331759910 885335053 /nfs/dbraw/zinc/33/50/53/885335053.db2.gz XMHAPGKYLFGJJC-SECBINFHSA-N 2 2 269.305 -2.175 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001331843735 885354760 /nfs/dbraw/zinc/35/47/60/885354760.db2.gz XAVZXODGPGRMSK-QMMMGPOBSA-N 2 2 255.278 -2.565 20 0 CAADLP C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC001332226532 885390400 /nfs/dbraw/zinc/39/04/00/885390400.db2.gz UAKJVVWNGSXBRZ-PWSUYJOCSA-N 2 2 268.317 -1.089 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]1(CO)COCC[NH2+]1 ZINC001332224894 885390852 /nfs/dbraw/zinc/39/08/52/885390852.db2.gz BLCGLAPSBPHBPI-LBPRGKRZSA-N 2 2 268.317 -1.191 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC001332254037 885391640 /nfs/dbraw/zinc/39/16/40/885391640.db2.gz UCYWFSXRZMTPFE-QWRGUYRKSA-N 2 2 277.328 -1.349 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332230047 885393206 /nfs/dbraw/zinc/39/32/06/885393206.db2.gz DGFIIDJHCFFIOX-UWVGGRQHSA-N 2 2 263.301 -1.428 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CCO)C(=O)CCn1cc[nH+]c1 ZINC001332549703 885418619 /nfs/dbraw/zinc/41/86/19/885418619.db2.gz CTDGXGDNFPCVKH-NSHDSACASA-N 2 2 270.333 -1.326 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332522703 885418850 /nfs/dbraw/zinc/41/88/50/885418850.db2.gz PTTOUGWJBXJHDF-GMTAPVOTSA-N 2 2 282.344 -1.086 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332522703 885418854 /nfs/dbraw/zinc/41/88/54/885418854.db2.gz PTTOUGWJBXJHDF-GMTAPVOTSA-N 2 2 282.344 -1.086 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001332753997 885436853 /nfs/dbraw/zinc/43/68/53/885436853.db2.gz AMKIKFNXTSPTQP-ZIAGYGMSSA-N 2 2 297.447 -1.016 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001332753991 885436994 /nfs/dbraw/zinc/43/69/94/885436994.db2.gz AMKIKFNXTSPTQP-KBPBESRZSA-N 2 2 297.447 -1.016 20 0 CAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001333534927 885487319 /nfs/dbraw/zinc/48/73/19/885487319.db2.gz JKPSVRXKVIHTJA-ZJUUUORDSA-N 2 2 277.328 -1.208 20 0 CAADLP CN1CC[N@H+](C)[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC001333582387 885493282 /nfs/dbraw/zinc/49/32/82/885493282.db2.gz ISDKMNBMHJQXOV-WDEREUQCSA-N 2 2 283.376 -1.286 20 0 CAADLP CN1CC[N@@H+](C)[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC001333582387 885493291 /nfs/dbraw/zinc/49/32/91/885493291.db2.gz ISDKMNBMHJQXOV-WDEREUQCSA-N 2 2 283.376 -1.286 20 0 CAADLP CN1CC[N@H+](C)[C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC001333582385 885493597 /nfs/dbraw/zinc/49/35/97/885493597.db2.gz ISDKMNBMHJQXOV-QWRGUYRKSA-N 2 2 283.376 -1.286 20 0 CAADLP CN1CC[N@@H+](C)[C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC001333582385 885493607 /nfs/dbraw/zinc/49/36/07/885493607.db2.gz ISDKMNBMHJQXOV-QWRGUYRKSA-N 2 2 283.376 -1.286 20 0 CAADLP CN1CC[N@H+](C)[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC001333582383 885494166 /nfs/dbraw/zinc/49/41/66/885494166.db2.gz ISDKMNBMHJQXOV-MNOVXSKESA-N 2 2 283.376 -1.286 20 0 CAADLP CN1CC[N@@H+](C)[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC001333582383 885494172 /nfs/dbraw/zinc/49/41/72/885494172.db2.gz ISDKMNBMHJQXOV-MNOVXSKESA-N 2 2 283.376 -1.286 20 0 CAADLP CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001334338801 885535326 /nfs/dbraw/zinc/53/53/26/885535326.db2.gz QWGLYPXUVHCSSE-JXUBOQSCSA-N 2 2 263.363 -1.540 20 0 CAADLP CS(=O)(=O)N[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC001334338801 885535342 /nfs/dbraw/zinc/53/53/42/885535342.db2.gz QWGLYPXUVHCSSE-JXUBOQSCSA-N 2 2 263.363 -1.540 20 0 CAADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001335180431 885590454 /nfs/dbraw/zinc/59/04/54/885590454.db2.gz GRZQSXDYHVSLDC-NWDGAFQWSA-N 3 2 252.362 -1.041 20 0 CAADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001335180431 885590470 /nfs/dbraw/zinc/59/04/70/885590470.db2.gz GRZQSXDYHVSLDC-NWDGAFQWSA-N 3 2 252.362 -1.041 20 0 CAADLP C[NH+](C)Cc1csc(CNC(=O)C(=O)NC2C[NH2+]C2)n1 ZINC001335204598 885594110 /nfs/dbraw/zinc/59/41/10/885594110.db2.gz IBWPBDZUXONWHG-UHFFFAOYSA-N 2 2 297.384 -1.091 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC ZINC001335262164 885602713 /nfs/dbraw/zinc/60/27/13/885602713.db2.gz CFVNCCSAINGWIM-DTWKUNHWSA-N 2 2 259.306 -1.676 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001336709283 885677355 /nfs/dbraw/zinc/67/73/55/885677355.db2.gz TVPAFBXXXPTITJ-UHFFFAOYSA-N 2 2 265.317 -1.191 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001336885889 885686139 /nfs/dbraw/zinc/68/61/39/885686139.db2.gz UPWWLQKFCGRMLN-UHFFFAOYSA-N 3 2 298.435 -1.386 20 0 CAADLP CN1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC001336941228 885688853 /nfs/dbraw/zinc/68/88/53/885688853.db2.gz IUKGIZYKHFVIDO-ZDUSSCGKSA-N 3 2 298.435 -1.306 20 0 CAADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001338520889 885750072 /nfs/dbraw/zinc/75/00/72/885750072.db2.gz LWZFXOPFSKSPSY-UONOGXRCSA-N 3 2 288.436 -1.503 20 0 CAADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001338520875 885750583 /nfs/dbraw/zinc/75/05/83/885750583.db2.gz LWZFXOPFSKSPSY-KBPBESRZSA-N 3 2 288.436 -1.503 20 0 CAADLP NC(=O)C12CCC(CC1)[N@@H+]2CC(=O)N1CC[NH2+]CC1 ZINC001339932350 885783611 /nfs/dbraw/zinc/78/36/11/885783611.db2.gz IGWRDPDLPMJROY-UHFFFAOYSA-N 2 2 266.345 -1.100 20 0 CAADLP NC(=O)C12CCC(CC1)[N@H+]2CC(=O)N1CC[NH2+]CC1 ZINC001339932350 885783615 /nfs/dbraw/zinc/78/36/15/885783615.db2.gz IGWRDPDLPMJROY-UHFFFAOYSA-N 2 2 266.345 -1.100 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340026445 885788676 /nfs/dbraw/zinc/78/86/76/885788676.db2.gz KABSTAVHLRBPMY-SNVBAGLBSA-N 2 2 259.350 -1.125 20 0 CAADLP CC(C)(CNC(=O)CNCC[NH3+])[NH+]1CCOCC1 ZINC001340138817 885793783 /nfs/dbraw/zinc/79/37/83/885793783.db2.gz HRSSBQPVDJJWMD-UHFFFAOYSA-N 2 2 258.366 -1.238 20 0 CAADLP [NH3+]CC1(C(=O)N2CC[NH+](CCO)CC2)CC(O)C1 ZINC001340161655 885795470 /nfs/dbraw/zinc/79/54/70/885795470.db2.gz CBDMVPUTPFKYIS-UHFFFAOYSA-N 2 2 257.334 -1.777 20 0 CAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001340334092 885801912 /nfs/dbraw/zinc/80/19/12/885801912.db2.gz BJRLPBUFSAWKHD-OUAUKWLOSA-N 2 2 259.350 -1.126 20 0 CAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001340334092 885801927 /nfs/dbraw/zinc/80/19/27/885801927.db2.gz BJRLPBUFSAWKHD-OUAUKWLOSA-N 2 2 259.350 -1.126 20 0 CAADLP C[NH2+]C[C@@H](O)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC001341487247 885841812 /nfs/dbraw/zinc/84/18/12/885841812.db2.gz DMFSVMCNZRGUPS-SECBINFHSA-N 2 2 258.322 -2.543 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H](O)C[NH3+] ZINC001341606089 885849185 /nfs/dbraw/zinc/84/91/85/885849185.db2.gz ZEIVZXUMZYEOCF-JTQLQIEISA-N 2 2 259.350 -1.077 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H](O)C[NH3+] ZINC001341606089 885849195 /nfs/dbraw/zinc/84/91/95/885849195.db2.gz ZEIVZXUMZYEOCF-JTQLQIEISA-N 2 2 259.350 -1.077 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001340847036 885815091 /nfs/dbraw/zinc/81/50/91/885815091.db2.gz MFMDJMIMFMFATE-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1 ZINC001340847036 885815098 /nfs/dbraw/zinc/81/50/98/885815098.db2.gz MFMDJMIMFMFATE-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CCO1 ZINC001340838288 885815566 /nfs/dbraw/zinc/81/55/66/885815566.db2.gz IHMIZSXMHPMRJI-NXEZZACHSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CCO1 ZINC001340838288 885815575 /nfs/dbraw/zinc/81/55/75/885815575.db2.gz IHMIZSXMHPMRJI-NXEZZACHSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CCO1 ZINC001340838290 885816047 /nfs/dbraw/zinc/81/60/47/885816047.db2.gz IHMIZSXMHPMRJI-VHSXEESVSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CCO1 ZINC001340838290 885816054 /nfs/dbraw/zinc/81/60/54/885816054.db2.gz IHMIZSXMHPMRJI-VHSXEESVSA-N 2 2 259.350 -1.079 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001340810070 885817474 /nfs/dbraw/zinc/81/74/74/885817474.db2.gz UTHJHOHBHBOTMO-VHSXEESVSA-N 2 2 259.350 -1.079 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CO ZINC001340804325 885817602 /nfs/dbraw/zinc/81/76/02/885817602.db2.gz ZYIAZCGONDFFNE-VHSXEESVSA-N 2 2 261.322 -2.543 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH2+]CC1=O ZINC001341420345 885838756 /nfs/dbraw/zinc/83/87/56/885838756.db2.gz WXSZVQUUIOMANI-LMLFDSFASA-N 2 2 266.345 -1.184 20 0 CAADLP C[NH2+]C[C@H](O)CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC001341487249 885842109 /nfs/dbraw/zinc/84/21/09/885842109.db2.gz DMFSVMCNZRGUPS-VIFPVBQESA-N 2 2 258.322 -2.543 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@@H]1CO ZINC001341578003 885844502 /nfs/dbraw/zinc/84/45/02/885844502.db2.gz GTNVFLVMSJSYIE-SECBINFHSA-N 2 2 256.306 -2.789 20 0 CAADLP [NH3+]CCNCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001341673099 885853912 /nfs/dbraw/zinc/85/39/12/885853912.db2.gz WITZTCFIFOTTHT-GFCCVEGCSA-N 2 2 270.377 -1.142 20 0 CAADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CNCC[NH3+] ZINC001341753154 885858873 /nfs/dbraw/zinc/85/88/73/885858873.db2.gz POBSYFNHWWICOV-NSHDSACASA-N 2 2 258.366 -1.238 20 0 CAADLP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001342036552 885867044 /nfs/dbraw/zinc/86/70/44/885867044.db2.gz QOYVRZTZIKTIAT-QWRGUYRKSA-N 2 2 258.366 -1.600 20 0 CAADLP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001342036552 885867057 /nfs/dbraw/zinc/86/70/57/885867057.db2.gz QOYVRZTZIKTIAT-QWRGUYRKSA-N 2 2 258.366 -1.600 20 0 CAADLP C[C@H](NC(=O)COCC[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001342035735 885868097 /nfs/dbraw/zinc/86/80/97/885868097.db2.gz NWZBXGYDJHQZNT-QWRGUYRKSA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@H](NC(=O)COCC[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001342035735 885868108 /nfs/dbraw/zinc/86/81/08/885868108.db2.gz NWZBXGYDJHQZNT-QWRGUYRKSA-N 2 2 258.366 -1.288 20 0 CAADLP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001342036550 885868200 /nfs/dbraw/zinc/86/82/00/885868200.db2.gz QOYVRZTZIKTIAT-MNOVXSKESA-N 2 2 258.366 -1.600 20 0 CAADLP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001342036550 885868206 /nfs/dbraw/zinc/86/82/06/885868206.db2.gz QOYVRZTZIKTIAT-MNOVXSKESA-N 2 2 258.366 -1.600 20 0 CAADLP C[C@@H](NC(=O)COCC[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001342035734 885868478 /nfs/dbraw/zinc/86/84/78/885868478.db2.gz NWZBXGYDJHQZNT-MNOVXSKESA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@@H](NC(=O)COCC[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001342035734 885868489 /nfs/dbraw/zinc/86/84/89/885868489.db2.gz NWZBXGYDJHQZNT-MNOVXSKESA-N 2 2 258.366 -1.288 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC001342110305 885871741 /nfs/dbraw/zinc/87/17/41/885871741.db2.gz FYHNBLZZKCCSRG-VHSXEESVSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC001342110302 885873292 /nfs/dbraw/zinc/87/32/92/885873292.db2.gz FYHNBLZZKCCSRG-NXEZZACHSA-N 2 2 268.361 -1.079 20 0 CAADLP [NH3+][C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C12CCC2 ZINC001342326400 885883344 /nfs/dbraw/zinc/88/33/44/885883344.db2.gz KCBNPWQTIXIKPH-VHSXEESVSA-N 2 2 266.345 -1.196 20 0 CAADLP C[C@@H](C(=O)N[C@H]1C[NH2+]CC12CC2)N1CC[NH2+]CC1=O ZINC001343640193 885919750 /nfs/dbraw/zinc/91/97/50/885919750.db2.gz GICOKPKLZDWPGC-UWVGGRQHSA-N 2 2 266.345 -1.325 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1[NH3+] ZINC001345912379 885972389 /nfs/dbraw/zinc/97/23/89/885972389.db2.gz PAYXABWGEAXWQC-MWLCHTKSSA-N 2 2 279.344 -1.116 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC001346104272 885986123 /nfs/dbraw/zinc/98/61/23/885986123.db2.gz UFJWTEBFABIJDD-DBIOUOCHSA-N 2 2 266.345 -1.197 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC001346104272 885986134 /nfs/dbraw/zinc/98/61/34/885986134.db2.gz UFJWTEBFABIJDD-DBIOUOCHSA-N 2 2 266.345 -1.197 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC001346104280 885986171 /nfs/dbraw/zinc/98/61/71/885986171.db2.gz UFJWTEBFABIJDD-YTWAJWBKSA-N 2 2 266.345 -1.197 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC001346104280 885986176 /nfs/dbraw/zinc/98/61/76/885986176.db2.gz UFJWTEBFABIJDD-YTWAJWBKSA-N 2 2 266.345 -1.197 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](CO)C1 ZINC001346227533 885992852 /nfs/dbraw/zinc/99/28/52/885992852.db2.gz ALNGJFHUFNIEOY-IUCAKERBSA-N 2 2 256.306 -1.775 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](CO)C1 ZINC001346227533 885992863 /nfs/dbraw/zinc/99/28/63/885992863.db2.gz ALNGJFHUFNIEOY-IUCAKERBSA-N 2 2 256.306 -1.775 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](CO)C1 ZINC001346227532 885993576 /nfs/dbraw/zinc/99/35/76/885993576.db2.gz ALNGJFHUFNIEOY-DTWKUNHWSA-N 2 2 256.306 -1.775 20 0 CAADLP C[N@H+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](CO)C1 ZINC001346227532 885993581 /nfs/dbraw/zinc/99/35/81/885993581.db2.gz ALNGJFHUFNIEOY-DTWKUNHWSA-N 2 2 256.306 -1.775 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COCC[NH3+] ZINC001348447469 886085610 /nfs/dbraw/zinc/08/56/10/886085610.db2.gz PZCAXHZOKNUCCI-NSHDSACASA-N 2 2 275.349 -1.887 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COCC[NH3+] ZINC001348447468 886086171 /nfs/dbraw/zinc/08/61/71/886086171.db2.gz PZCAXHZOKNUCCI-LLVKDONJSA-N 2 2 275.349 -1.887 20 0 CAADLP C[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001349457511 886128904 /nfs/dbraw/zinc/12/89/04/886128904.db2.gz FFQWRNGKXPJQDG-SNVBAGLBSA-N 2 2 265.317 -1.008 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC001349472595 886131858 /nfs/dbraw/zinc/13/18/58/886131858.db2.gz JBKIACQNOVPJCC-SECBINFHSA-N 2 2 258.322 -1.972 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC001349472595 886131865 /nfs/dbraw/zinc/13/18/65/886131865.db2.gz JBKIACQNOVPJCC-SECBINFHSA-N 2 2 258.322 -1.972 20 0 CAADLP C[C@H]([NH3+])CCNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001349803172 886151734 /nfs/dbraw/zinc/15/17/34/886151734.db2.gz NXIQUSPCKLDWDE-VIFPVBQESA-N 2 2 267.333 -1.068 20 0 CAADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC001350412073 886171751 /nfs/dbraw/zinc/17/17/51/886171751.db2.gz RMECOPFSPMOHHR-GHMZBOCLSA-N 2 2 257.334 -1.513 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001351801897 886229589 /nfs/dbraw/zinc/22/95/89/886229589.db2.gz UDRYUAZRRXGOQD-YIZRAAEISA-N 2 2 254.290 -1.661 20 0 CAADLP NC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001351801897 886229606 /nfs/dbraw/zinc/22/96/06/886229606.db2.gz UDRYUAZRRXGOQD-YIZRAAEISA-N 2 2 254.290 -1.661 20 0 CAADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001352802785 886247140 /nfs/dbraw/zinc/24/71/40/886247140.db2.gz KGMLPCNCZNUQLF-QWRGUYRKSA-N 2 2 262.350 -1.599 20 0 CAADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001352802783 886248247 /nfs/dbraw/zinc/24/82/47/886248247.db2.gz KGMLPCNCZNUQLF-MNOVXSKESA-N 2 2 262.350 -1.599 20 0 CAADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC001353644775 886285997 /nfs/dbraw/zinc/28/59/97/886285997.db2.gz FFZOQPDUITWLTM-MNOVXSKESA-N 2 2 259.350 -1.661 20 0 CAADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC001354342486 886309356 /nfs/dbraw/zinc/30/93/56/886309356.db2.gz FZDITVOXNQOGMR-LPEHRKFASA-N 2 2 250.302 -1.106 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001354770897 886327079 /nfs/dbraw/zinc/32/70/79/886327079.db2.gz JPHWAEDHSFPIAO-UHFFFAOYSA-N 3 2 269.393 -1.569 20 0 CAADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001355584876 886343831 /nfs/dbraw/zinc/34/38/31/886343831.db2.gz CIFXLDFXYREPJN-DCAQKATOSA-N 2 2 266.345 -1.244 20 0 CAADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CNCC[NH3+] ZINC001358030126 886417821 /nfs/dbraw/zinc/41/78/21/886417821.db2.gz VTKCREDYPOGKMG-NSHDSACASA-N 2 2 258.366 -1.238 20 0 CAADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CNCC[NH3+] ZINC001358030126 886417824 /nfs/dbraw/zinc/41/78/24/886417824.db2.gz VTKCREDYPOGKMG-NSHDSACASA-N 2 2 258.366 -1.238 20 0 CAADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112348 886420509 /nfs/dbraw/zinc/42/05/09/886420509.db2.gz YQNPABBJTSGWAP-GXTWGEPZSA-N 3 2 295.431 -1.086 20 0 CAADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358112348 886420512 /nfs/dbraw/zinc/42/05/12/886420512.db2.gz YQNPABBJTSGWAP-GXTWGEPZSA-N 3 2 295.431 -1.086 20 0 CAADLP CN1CCO[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001358111408 886421140 /nfs/dbraw/zinc/42/11/40/886421140.db2.gz LVITVRYFDNLQEI-NSHDSACASA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363534877 886932026 /nfs/dbraw/zinc/93/20/26/886932026.db2.gz FKKIMWPHLSRWNQ-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2CO)C1 ZINC001363534877 886932036 /nfs/dbraw/zinc/93/20/36/886932036.db2.gz FKKIMWPHLSRWNQ-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)C1 ZINC001363534877 886932049 /nfs/dbraw/zinc/93/20/49/886932049.db2.gz FKKIMWPHLSRWNQ-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)C1 ZINC001363534877 886932060 /nfs/dbraw/zinc/93/20/60/886932060.db2.gz FKKIMWPHLSRWNQ-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1nnc(N)n1 ZINC001363915754 887004805 /nfs/dbraw/zinc/00/48/05/887004805.db2.gz NGZXNBDWJINMQB-UHFFFAOYSA-N 2 2 284.368 -1.745 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1nnc(N)n1 ZINC001363915754 887004818 /nfs/dbraw/zinc/00/48/18/887004818.db2.gz NGZXNBDWJINMQB-UHFFFAOYSA-N 2 2 284.368 -1.745 20 0 CAADLP C[NH+](C)CC1CN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001363977790 887012677 /nfs/dbraw/zinc/01/26/77/887012677.db2.gz AITCTMHQHGPTPY-UHFFFAOYSA-N 2 2 276.406 -1.028 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](CCO)C1 ZINC001365340281 887196606 /nfs/dbraw/zinc/19/66/06/887196606.db2.gz GSOMFFKUXKDXFD-MCIONIFRSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](CCO)C1 ZINC001365340281 887196611 /nfs/dbraw/zinc/19/66/11/887196611.db2.gz GSOMFFKUXKDXFD-MCIONIFRSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001365340281 887196616 /nfs/dbraw/zinc/19/66/16/887196616.db2.gz GSOMFFKUXKDXFD-MCIONIFRSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001365340281 887196619 /nfs/dbraw/zinc/19/66/19/887196619.db2.gz GSOMFFKUXKDXFD-MCIONIFRSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001365340289 887197388 /nfs/dbraw/zinc/19/73/88/887197388.db2.gz GSOMFFKUXKDXFD-RDBSUJKOSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001365340289 887197402 /nfs/dbraw/zinc/19/74/02/887197402.db2.gz GSOMFFKUXKDXFD-RDBSUJKOSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001365340289 887197417 /nfs/dbraw/zinc/19/74/17/887197417.db2.gz GSOMFFKUXKDXFD-RDBSUJKOSA-N 2 2 290.404 -1.152 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001365340289 887197431 /nfs/dbraw/zinc/19/74/31/887197431.db2.gz GSOMFFKUXKDXFD-RDBSUJKOSA-N 2 2 290.404 -1.152 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001365962465 887258071 /nfs/dbraw/zinc/25/80/71/887258071.db2.gz BYYOWRLSOOWTGH-UHFFFAOYSA-N 2 2 295.387 -1.311 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001366005984 887263425 /nfs/dbraw/zinc/26/34/25/887263425.db2.gz RJJAFUYPEHJCQD-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001366005984 887263442 /nfs/dbraw/zinc/26/34/42/887263442.db2.gz RJJAFUYPEHJCQD-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP Cn1[nH]c(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001366100595 887266674 /nfs/dbraw/zinc/26/66/74/887266674.db2.gz YGVNZGBRNLBZRY-JTQLQIEISA-N 2 2 296.375 -1.249 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360338 887297731 /nfs/dbraw/zinc/29/77/31/887297731.db2.gz UKDKQXOWLJCBLA-UWVGGRQHSA-N 2 2 296.375 -1.346 20 0 CAADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366360338 887297746 /nfs/dbraw/zinc/29/77/46/887297746.db2.gz UKDKQXOWLJCBLA-UWVGGRQHSA-N 2 2 296.375 -1.346 20 0 CAADLP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001366520765 887301964 /nfs/dbraw/zinc/30/19/64/887301964.db2.gz HVTHNAWPZMNMHH-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001366520765 887301979 /nfs/dbraw/zinc/30/19/79/887301979.db2.gz HVTHNAWPZMNMHH-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366520765 887301990 /nfs/dbraw/zinc/30/19/90/887301990.db2.gz HVTHNAWPZMNMHH-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001366520760 887303975 /nfs/dbraw/zinc/30/39/75/887303975.db2.gz HVTHNAWPZMNMHH-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001366520760 887303984 /nfs/dbraw/zinc/30/39/84/887303984.db2.gz HVTHNAWPZMNMHH-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366520760 887303998 /nfs/dbraw/zinc/30/39/98/887303998.db2.gz HVTHNAWPZMNMHH-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366520760 887304009 /nfs/dbraw/zinc/30/40/09/887304009.db2.gz HVTHNAWPZMNMHH-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001366520743 887305318 /nfs/dbraw/zinc/30/53/18/887305318.db2.gz HVTHNAWPZMNMHH-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001366520743 887305337 /nfs/dbraw/zinc/30/53/37/887305337.db2.gz HVTHNAWPZMNMHH-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001366930270 887349297 /nfs/dbraw/zinc/34/92/97/887349297.db2.gz HZGQIUATJADKSO-GFCCVEGCSA-N 2 2 282.344 -1.001 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366952733 887353568 /nfs/dbraw/zinc/35/35/68/887353568.db2.gz VVOYSMVEYPIEIX-PWSUYJOCSA-N 2 2 271.361 -1.254 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366952733 887353582 /nfs/dbraw/zinc/35/35/82/887353582.db2.gz VVOYSMVEYPIEIX-PWSUYJOCSA-N 2 2 271.361 -1.254 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001367033720 887361504 /nfs/dbraw/zinc/36/15/04/887361504.db2.gz UGCMGDRGUWHAIH-SECBINFHSA-N 2 2 285.348 -1.677 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001367033720 887361516 /nfs/dbraw/zinc/36/15/16/887361516.db2.gz UGCMGDRGUWHAIH-SECBINFHSA-N 2 2 285.348 -1.677 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367507673 887387648 /nfs/dbraw/zinc/38/76/48/887387648.db2.gz MGDFANYCWDZSOK-QWRGUYRKSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367507673 887387662 /nfs/dbraw/zinc/38/76/62/887387662.db2.gz MGDFANYCWDZSOK-QWRGUYRKSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367507673 887387675 /nfs/dbraw/zinc/38/76/75/887387675.db2.gz MGDFANYCWDZSOK-QWRGUYRKSA-N 2 2 286.376 -1.419 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367507673 887387685 /nfs/dbraw/zinc/38/76/85/887387685.db2.gz MGDFANYCWDZSOK-QWRGUYRKSA-N 2 2 286.376 -1.419 20 0 CAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001367601568 887405435 /nfs/dbraw/zinc/40/54/35/887405435.db2.gz GRHKXXGKWUSIOU-VXGBXAGGSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001367601568 887405445 /nfs/dbraw/zinc/40/54/45/887405445.db2.gz GRHKXXGKWUSIOU-VXGBXAGGSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367616492 887412090 /nfs/dbraw/zinc/41/20/90/887412090.db2.gz UXQDBLUMSBMMFA-LBPRGKRZSA-N 2 2 292.343 -1.047 20 0 CAADLP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001367619680 887412398 /nfs/dbraw/zinc/41/23/98/887412398.db2.gz PMJYNRGCZUZEJM-QWRGUYRKSA-N 2 2 285.348 -1.024 20 0 CAADLP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001367616080 887412839 /nfs/dbraw/zinc/41/28/39/887412839.db2.gz MBMHFJTZTIWDDP-JTQLQIEISA-N 2 2 297.359 -1.457 20 0 CAADLP O=C(C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)NC1CC1 ZINC001367616096 887413166 /nfs/dbraw/zinc/41/31/66/887413166.db2.gz MDGLBQSWUHYKDG-SNVBAGLBSA-N 2 2 295.343 -1.703 20 0 CAADLP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001367619677 887413296 /nfs/dbraw/zinc/41/32/96/887413296.db2.gz PMJYNRGCZUZEJM-MNOVXSKESA-N 2 2 285.348 -1.024 20 0 CAADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001367775064 887435098 /nfs/dbraw/zinc/43/50/98/887435098.db2.gz YQIUSEGDFFFIGK-QWRGUYRKSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278521 887466172 /nfs/dbraw/zinc/46/61/72/887466172.db2.gz WQUOXPDQTBTZAK-MFKMUULPSA-N 2 2 295.343 -1.690 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278521 887466179 /nfs/dbraw/zinc/46/61/79/887466179.db2.gz WQUOXPDQTBTZAK-MFKMUULPSA-N 2 2 295.343 -1.690 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278514 887466681 /nfs/dbraw/zinc/46/66/81/887466681.db2.gz WQUOXPDQTBTZAK-GWCFXTLKSA-N 2 2 295.343 -1.690 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001368278514 887466691 /nfs/dbraw/zinc/46/66/91/887466691.db2.gz WQUOXPDQTBTZAK-GWCFXTLKSA-N 2 2 295.343 -1.690 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368285386 887469319 /nfs/dbraw/zinc/46/93/19/887469319.db2.gz KWLHKSPXFQHCMW-ZDUSSCGKSA-N 2 2 284.360 -1.880 20 0 CAADLP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368285386 887469331 /nfs/dbraw/zinc/46/93/31/887469331.db2.gz KWLHKSPXFQHCMW-ZDUSSCGKSA-N 2 2 284.360 -1.880 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368285380 887469418 /nfs/dbraw/zinc/46/94/18/887469418.db2.gz KWLHKSPXFQHCMW-CYBMUJFWSA-N 2 2 284.360 -1.880 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368285380 887469426 /nfs/dbraw/zinc/46/94/26/887469426.db2.gz KWLHKSPXFQHCMW-CYBMUJFWSA-N 2 2 284.360 -1.880 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001369350073 887550083 /nfs/dbraw/zinc/55/00/83/887550083.db2.gz RAPUQPIEUUEFOB-QWRGUYRKSA-N 2 2 298.391 -1.106 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001369341741 887550295 /nfs/dbraw/zinc/55/02/95/887550295.db2.gz SNCXFSGDBBQBMU-ZJUUUORDSA-N 2 2 295.343 -2.003 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001369350075 887550971 /nfs/dbraw/zinc/55/09/71/887550971.db2.gz RAPUQPIEUUEFOB-WDEREUQCSA-N 2 2 298.391 -1.106 20 0 CAADLP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001369374584 887560361 /nfs/dbraw/zinc/56/03/61/887560361.db2.gz INEWCZUUOXYJBX-UWVGGRQHSA-N 2 2 297.359 -1.409 20 0 CAADLP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001369380496 887561268 /nfs/dbraw/zinc/56/12/68/887561268.db2.gz YEAMZQIOICLZHZ-MNOVXSKESA-N 2 2 270.333 -1.015 20 0 CAADLP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001369380499 887561596 /nfs/dbraw/zinc/56/15/96/887561596.db2.gz YEAMZQIOICLZHZ-WDEREUQCSA-N 2 2 270.333 -1.015 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001369485581 887577184 /nfs/dbraw/zinc/57/71/84/887577184.db2.gz DOQUVSHXRVDBDD-GHMZBOCLSA-N 2 2 297.359 -1.444 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369477140 887578011 /nfs/dbraw/zinc/57/80/11/887578011.db2.gz DTUKTRBXIRFRGQ-NSHDSACASA-N 2 2 297.359 -1.883 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001370911633 887639275 /nfs/dbraw/zinc/63/92/75/887639275.db2.gz ABSWVBRYFSQLOG-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001370911633 887639280 /nfs/dbraw/zinc/63/92/80/887639280.db2.gz ABSWVBRYFSQLOG-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCn1cncn1 ZINC001371939868 887679546 /nfs/dbraw/zinc/67/95/46/887679546.db2.gz LJVFMRGPNZYFLN-LBPRGKRZSA-N 2 2 296.375 -1.343 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCn1cncn1 ZINC001371939868 887679550 /nfs/dbraw/zinc/67/95/50/887679550.db2.gz LJVFMRGPNZYFLN-LBPRGKRZSA-N 2 2 296.375 -1.343 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCn1cncn1 ZINC001371939868 887679556 /nfs/dbraw/zinc/67/95/56/887679556.db2.gz LJVFMRGPNZYFLN-LBPRGKRZSA-N 2 2 296.375 -1.343 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCn1cncn1 ZINC001371939868 887679564 /nfs/dbraw/zinc/67/95/64/887679564.db2.gz LJVFMRGPNZYFLN-LBPRGKRZSA-N 2 2 296.375 -1.343 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373283955 887726545 /nfs/dbraw/zinc/72/65/45/887726545.db2.gz YADNLWTXTGCFFU-RYUDHWBXSA-N 2 2 298.387 -1.417 20 0 CAADLP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373283955 887726555 /nfs/dbraw/zinc/72/65/55/887726555.db2.gz YADNLWTXTGCFFU-RYUDHWBXSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373283955 887726565 /nfs/dbraw/zinc/72/65/65/887726565.db2.gz YADNLWTXTGCFFU-RYUDHWBXSA-N 2 2 298.387 -1.417 20 0 CAADLP C[NH+](CC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373283955 887726582 /nfs/dbraw/zinc/72/65/82/887726582.db2.gz YADNLWTXTGCFFU-RYUDHWBXSA-N 2 2 298.387 -1.417 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373610621 887754532 /nfs/dbraw/zinc/75/45/32/887754532.db2.gz SWJQUJHYZPVCNQ-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373610621 887754542 /nfs/dbraw/zinc/75/45/42/887754542.db2.gz SWJQUJHYZPVCNQ-NEPJUHHUSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373610622 887755291 /nfs/dbraw/zinc/75/52/91/887755291.db2.gz SWJQUJHYZPVCNQ-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001373610622 887755300 /nfs/dbraw/zinc/75/53/00/887755300.db2.gz SWJQUJHYZPVCNQ-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001374480221 887785798 /nfs/dbraw/zinc/78/57/98/887785798.db2.gz QRPBKNPIFZYYPE-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001374480221 887785814 /nfs/dbraw/zinc/78/58/14/887785814.db2.gz QRPBKNPIFZYYPE-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374480221 887785826 /nfs/dbraw/zinc/78/58/26/887785826.db2.gz QRPBKNPIFZYYPE-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374480221 887785841 /nfs/dbraw/zinc/78/58/41/887785841.db2.gz QRPBKNPIFZYYPE-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001374480214 887787717 /nfs/dbraw/zinc/78/77/17/887787717.db2.gz QRPBKNPIFZYYPE-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001374480214 887787728 /nfs/dbraw/zinc/78/77/28/887787728.db2.gz QRPBKNPIFZYYPE-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374480214 887787744 /nfs/dbraw/zinc/78/77/44/887787744.db2.gz QRPBKNPIFZYYPE-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374480214 887787756 /nfs/dbraw/zinc/78/77/56/887787756.db2.gz QRPBKNPIFZYYPE-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)no1 ZINC001374623061 887815427 /nfs/dbraw/zinc/81/54/27/887815427.db2.gz IFUWIBTXRGASBJ-QMMMGPOBSA-N 2 2 299.331 -2.098 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001374633283 887819213 /nfs/dbraw/zinc/81/92/13/887819213.db2.gz MDBNPJDDGANUGA-QWRGUYRKSA-N 2 2 284.360 -1.200 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001374633270 887821120 /nfs/dbraw/zinc/82/11/20/887821120.db2.gz MDBNPJDDGANUGA-GHMZBOCLSA-N 2 2 284.360 -1.200 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001374633277 887821566 /nfs/dbraw/zinc/82/15/66/887821566.db2.gz MDBNPJDDGANUGA-MNOVXSKESA-N 2 2 284.360 -1.200 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001374658143 887826742 /nfs/dbraw/zinc/82/67/42/887826742.db2.gz KVJXONRVTVCMGP-IUCAKERBSA-N 2 2 283.332 -1.717 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001374663237 887827484 /nfs/dbraw/zinc/82/74/84/887827484.db2.gz YRPPAVJCHUFVLQ-RKDXNWHRSA-N 2 2 281.316 -2.093 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001374676737 887830747 /nfs/dbraw/zinc/83/07/47/887830747.db2.gz ISCRCLDLJCELGY-NXEZZACHSA-N 2 2 297.359 -1.538 20 0 CAADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001374678711 887831514 /nfs/dbraw/zinc/83/15/14/887831514.db2.gz UQFXPSGHQRXLJF-MNOVXSKESA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001374678711 887831528 /nfs/dbraw/zinc/83/15/28/887831528.db2.gz UQFXPSGHQRXLJF-MNOVXSKESA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001374678710 887832135 /nfs/dbraw/zinc/83/21/35/887832135.db2.gz UQFXPSGHQRXLJF-GHMZBOCLSA-N 2 2 297.359 -1.104 20 0 CAADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001374678710 887832144 /nfs/dbraw/zinc/83/21/44/887832144.db2.gz UQFXPSGHQRXLJF-GHMZBOCLSA-N 2 2 297.359 -1.104 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001374779424 887844758 /nfs/dbraw/zinc/84/47/58/887844758.db2.gz NWLPOOKISUINAZ-MRVPVSSYSA-N 2 2 283.332 -1.071 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374871434 887848717 /nfs/dbraw/zinc/84/87/17/887848717.db2.gz IXUITXYDSVOVHU-JQWIXIFHSA-N 2 2 298.387 -1.310 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374871434 887848729 /nfs/dbraw/zinc/84/87/29/887848729.db2.gz IXUITXYDSVOVHU-JQWIXIFHSA-N 2 2 298.387 -1.310 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001375558404 887883216 /nfs/dbraw/zinc/88/32/16/887883216.db2.gz SYLWTFLBSKTVNP-MGCOHNPYSA-N 2 2 279.344 -1.068 20 0 CAADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081693 887902438 /nfs/dbraw/zinc/90/24/38/887902438.db2.gz LWUUWUXPOMOPLC-ZWNOBZJWSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081693 887902448 /nfs/dbraw/zinc/90/24/48/887902448.db2.gz LWUUWUXPOMOPLC-ZWNOBZJWSA-N 2 2 282.344 -1.114 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376096595 887903814 /nfs/dbraw/zinc/90/38/14/887903814.db2.gz SNJUSOCELDBNRJ-ZDUSSCGKSA-N 2 2 282.344 -1.194 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376096595 887903821 /nfs/dbraw/zinc/90/38/21/887903821.db2.gz SNJUSOCELDBNRJ-ZDUSSCGKSA-N 2 2 282.344 -1.194 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376237004 887915533 /nfs/dbraw/zinc/91/55/33/887915533.db2.gz QYOZFJHNIQMVDV-RYUDHWBXSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001376237004 887915537 /nfs/dbraw/zinc/91/55/37/887915537.db2.gz QYOZFJHNIQMVDV-RYUDHWBXSA-N 2 2 285.388 -1.128 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376266973 887918212 /nfs/dbraw/zinc/91/82/12/887918212.db2.gz GBDNUIMEEGJTCN-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376266973 887918215 /nfs/dbraw/zinc/91/82/15/887918215.db2.gz GBDNUIMEEGJTCN-LLVKDONJSA-N 2 2 273.377 -1.128 20 0 CAADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376321395 887922532 /nfs/dbraw/zinc/92/25/32/887922532.db2.gz RWTDPGICBJXXJW-NWDGAFQWSA-N 2 2 298.387 -1.404 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001376523687 887939331 /nfs/dbraw/zinc/93/93/31/887939331.db2.gz SZGVBBGFYVFYNP-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001376523687 887939343 /nfs/dbraw/zinc/93/93/43/887939343.db2.gz SZGVBBGFYVFYNP-ZDUSSCGKSA-N 2 2 282.344 -1.182 20 0 CAADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001376754660 887956410 /nfs/dbraw/zinc/95/64/10/887956410.db2.gz MHFQTMHUKJHDHH-QMMMGPOBSA-N 2 2 283.332 -1.071 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001376887671 887967423 /nfs/dbraw/zinc/96/74/23/887967423.db2.gz QXYLNADHJHUJMG-BDAKNGLRSA-N 2 2 296.331 -1.439 20 0 CAADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376895614 887967616 /nfs/dbraw/zinc/96/76/16/887967616.db2.gz JKVYPUONQRXATB-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376895614 887967623 /nfs/dbraw/zinc/96/76/23/887967623.db2.gz JKVYPUONQRXATB-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001377137223 887976072 /nfs/dbraw/zinc/97/60/72/887976072.db2.gz DKJDLDOKAOLOSP-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001377137223 887976081 /nfs/dbraw/zinc/97/60/81/887976081.db2.gz DKJDLDOKAOLOSP-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001377137223 887976091 /nfs/dbraw/zinc/97/60/91/887976091.db2.gz DKJDLDOKAOLOSP-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001377137223 887976100 /nfs/dbraw/zinc/97/61/00/887976100.db2.gz DKJDLDOKAOLOSP-VXGBXAGGSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001377137217 887976225 /nfs/dbraw/zinc/97/62/25/887976225.db2.gz DKJDLDOKAOLOSP-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001377137217 887976230 /nfs/dbraw/zinc/97/62/30/887976230.db2.gz DKJDLDOKAOLOSP-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001377137217 887976234 /nfs/dbraw/zinc/97/62/34/887976234.db2.gz DKJDLDOKAOLOSP-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001377137217 887976243 /nfs/dbraw/zinc/97/62/43/887976243.db2.gz DKJDLDOKAOLOSP-RYUDHWBXSA-N 2 2 298.387 -1.404 20 0 CAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377205714 887983306 /nfs/dbraw/zinc/98/33/06/887983306.db2.gz LHPJPKBWFCGMSJ-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377205714 887983313 /nfs/dbraw/zinc/98/33/13/887983313.db2.gz LHPJPKBWFCGMSJ-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377205714 887983315 /nfs/dbraw/zinc/98/33/15/887983315.db2.gz LHPJPKBWFCGMSJ-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377205714 887983321 /nfs/dbraw/zinc/98/33/21/887983321.db2.gz LHPJPKBWFCGMSJ-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP COC[C@H](O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001377273476 887985307 /nfs/dbraw/zinc/98/53/07/887985307.db2.gz GBDRDSXAEIEAFH-LLVKDONJSA-N 2 2 270.333 -1.062 20 0 CAADLP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001377273476 887985312 /nfs/dbraw/zinc/98/53/12/887985312.db2.gz GBDRDSXAEIEAFH-LLVKDONJSA-N 2 2 270.333 -1.062 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001377932069 888022484 /nfs/dbraw/zinc/02/24/84/888022484.db2.gz JKGBQYASRLXQMN-LBPRGKRZSA-N 2 2 283.372 -1.110 20 0 CAADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001378123272 888038636 /nfs/dbraw/zinc/03/86/36/888038636.db2.gz PMKMWWANXSRFJZ-SNVBAGLBSA-N 2 2 298.391 -1.003 20 0 CAADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001378123272 888038647 /nfs/dbraw/zinc/03/86/47/888038647.db2.gz PMKMWWANXSRFJZ-SNVBAGLBSA-N 2 2 298.391 -1.003 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001378134412 888041047 /nfs/dbraw/zinc/04/10/47/888041047.db2.gz CQITWRSYAVDIGV-SNVBAGLBSA-N 2 2 299.375 -1.288 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001378134412 888041056 /nfs/dbraw/zinc/04/10/56/888041056.db2.gz CQITWRSYAVDIGV-SNVBAGLBSA-N 2 2 299.375 -1.288 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378134412 888041067 /nfs/dbraw/zinc/04/10/67/888041067.db2.gz CQITWRSYAVDIGV-SNVBAGLBSA-N 2 2 299.375 -1.288 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378134412 888041077 /nfs/dbraw/zinc/04/10/77/888041077.db2.gz CQITWRSYAVDIGV-SNVBAGLBSA-N 2 2 299.375 -1.288 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242088 888043783 /nfs/dbraw/zinc/04/37/83/888043783.db2.gz XOFVYLBTODOXFI-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242088 888043793 /nfs/dbraw/zinc/04/37/93/888043793.db2.gz XOFVYLBTODOXFI-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)C1 ZINC001378242088 888043804 /nfs/dbraw/zinc/04/38/04/888043804.db2.gz XOFVYLBTODOXFI-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)C1 ZINC001378242088 888043811 /nfs/dbraw/zinc/04/38/11/888043811.db2.gz XOFVYLBTODOXFI-WDEREUQCSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC(N)=O)C1 ZINC001378242056 888045914 /nfs/dbraw/zinc/04/59/14/888045914.db2.gz XOFVYLBTODOXFI-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC[N@@H+]1C ZINC001378288113 888048797 /nfs/dbraw/zinc/04/87/97/888048797.db2.gz YIXRHPPXBDZUMQ-VXGBXAGGSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001378344757 888050634 /nfs/dbraw/zinc/05/06/34/888050634.db2.gz ZADYZPLRLWTAFU-NSHDSACASA-N 2 2 273.377 -1.128 20 0 CAADLP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001378558036 888057829 /nfs/dbraw/zinc/05/78/29/888057829.db2.gz LWNLTCFVOPAMGP-VIFPVBQESA-N 2 2 299.375 -1.431 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001378709962 888065792 /nfs/dbraw/zinc/06/57/92/888065792.db2.gz HYWUCZQMZPUPTD-CNDDSTCGSA-N 2 2 291.355 -1.029 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001378709962 888065807 /nfs/dbraw/zinc/06/58/07/888065807.db2.gz HYWUCZQMZPUPTD-CNDDSTCGSA-N 2 2 291.355 -1.029 20 0 CAADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378756943 888068662 /nfs/dbraw/zinc/06/86/62/888068662.db2.gz QZVQAKOZAFIZOH-UWVGGRQHSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001378756948 888069282 /nfs/dbraw/zinc/06/92/82/888069282.db2.gz QZVQAKOZAFIZOH-ZJUUUORDSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001378756942 888070911 /nfs/dbraw/zinc/07/09/11/888070911.db2.gz QZVQAKOZAFIZOH-NXEZZACHSA-N 2 2 272.349 -1.761 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001379128188 888082986 /nfs/dbraw/zinc/08/29/86/888082986.db2.gz ALIZRUBHMSBRID-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001379128188 888083001 /nfs/dbraw/zinc/08/30/01/888083001.db2.gz ALIZRUBHMSBRID-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001379128188 888083017 /nfs/dbraw/zinc/08/30/17/888083017.db2.gz ALIZRUBHMSBRID-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001379128188 888083033 /nfs/dbraw/zinc/08/30/33/888083033.db2.gz ALIZRUBHMSBRID-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379191978 888098814 /nfs/dbraw/zinc/09/88/14/888098814.db2.gz UWWOWIRYSAHRHP-UWVGGRQHSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001379191978 888098833 /nfs/dbraw/zinc/09/88/33/888098833.db2.gz UWWOWIRYSAHRHP-UWVGGRQHSA-N 2 2 297.363 -2.129 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001379262071 888113498 /nfs/dbraw/zinc/11/34/98/888113498.db2.gz WBOOQLOYKWHGCB-PSASIEDQSA-N 2 2 283.332 -2.097 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379262511 888115648 /nfs/dbraw/zinc/11/56/48/888115648.db2.gz YREUKPHVDAFYHH-MNOVXSKESA-N 2 2 295.343 -2.082 20 0 CAADLP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001379290579 888121156 /nfs/dbraw/zinc/12/11/56/888121156.db2.gz KAWXKGLXFFVXEU-LLVKDONJSA-N 2 2 293.331 -1.722 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379444264 888146166 /nfs/dbraw/zinc/14/61/66/888146166.db2.gz YTTXGSDCWVTBIH-JTQLQIEISA-N 2 2 270.333 -1.588 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001379444266 888146357 /nfs/dbraw/zinc/14/63/57/888146357.db2.gz YTTXGSDCWVTBIH-SNVBAGLBSA-N 2 2 270.333 -1.588 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001379461917 888146458 /nfs/dbraw/zinc/14/64/58/888146458.db2.gz IWPKVRALUNVTEA-VHSXEESVSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001379461917 888146460 /nfs/dbraw/zinc/14/64/60/888146460.db2.gz IWPKVRALUNVTEA-VHSXEESVSA-N 2 2 297.363 -2.129 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379474335 888149013 /nfs/dbraw/zinc/14/90/13/888149013.db2.gz RQJUCMRACHLCFF-MNOVXSKESA-N 2 2 286.376 -1.717 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379474335 888149031 /nfs/dbraw/zinc/14/90/31/888149031.db2.gz RQJUCMRACHLCFF-MNOVXSKESA-N 2 2 286.376 -1.717 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379474339 888150587 /nfs/dbraw/zinc/15/05/87/888150587.db2.gz RQJUCMRACHLCFF-QWRGUYRKSA-N 2 2 286.376 -1.717 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379474339 888150597 /nfs/dbraw/zinc/15/05/97/888150597.db2.gz RQJUCMRACHLCFF-QWRGUYRKSA-N 2 2 286.376 -1.717 20 0 CAADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nncn1C)[NH+](C)C ZINC001379507158 888157426 /nfs/dbraw/zinc/15/74/26/888157426.db2.gz UOCQOKWVMBMHJI-QWRGUYRKSA-N 2 2 298.391 -1.278 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001379529908 888158923 /nfs/dbraw/zinc/15/89/23/888158923.db2.gz SBAZOYICJMWSTI-LLVKDONJSA-N 2 2 296.375 -1.522 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984717 888186272 /nfs/dbraw/zinc/18/62/72/888186272.db2.gz OFBJJBUIAMIEJQ-QWRGUYRKSA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379984717 888186279 /nfs/dbraw/zinc/18/62/79/888186279.db2.gz OFBJJBUIAMIEJQ-QWRGUYRKSA-N 2 2 297.359 -1.492 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380002724 888186878 /nfs/dbraw/zinc/18/68/78/888186878.db2.gz AZMKCLFYTXCCQQ-NXEZZACHSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380002724 888186884 /nfs/dbraw/zinc/18/68/84/888186884.db2.gz AZMKCLFYTXCCQQ-NXEZZACHSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380002731 888187434 /nfs/dbraw/zinc/18/74/34/888187434.db2.gz AZMKCLFYTXCCQQ-UWVGGRQHSA-N 2 2 299.375 -1.288 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380002731 888187441 /nfs/dbraw/zinc/18/74/41/888187441.db2.gz AZMKCLFYTXCCQQ-UWVGGRQHSA-N 2 2 299.375 -1.288 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380566816 888209059 /nfs/dbraw/zinc/20/90/59/888209059.db2.gz DEMNMKPIDPHNRQ-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380566816 888209068 /nfs/dbraw/zinc/20/90/68/888209068.db2.gz DEMNMKPIDPHNRQ-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP C[NH+](C)CCCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380623030 888220131 /nfs/dbraw/zinc/22/01/31/888220131.db2.gz LFOHTESAJKQQPC-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001380610859 888220265 /nfs/dbraw/zinc/22/02/65/888220265.db2.gz APGGHOBEWCLZOJ-QWRGUYRKSA-N 2 2 273.377 -1.130 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382177430 888286213 /nfs/dbraw/zinc/28/62/13/888286213.db2.gz BMANLILKLNJQFD-UWVGGRQHSA-N 2 2 272.349 -2.107 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382177430 888286230 /nfs/dbraw/zinc/28/62/30/888286230.db2.gz BMANLILKLNJQFD-UWVGGRQHSA-N 2 2 272.349 -2.107 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382187678 888296562 /nfs/dbraw/zinc/29/65/62/888296562.db2.gz UCWJKWNNTJUKBV-MNOVXSKESA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382187678 888296577 /nfs/dbraw/zinc/29/65/77/888296577.db2.gz UCWJKWNNTJUKBV-MNOVXSKESA-N 2 2 296.375 -1.524 20 0 CAADLP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001382212283 888305300 /nfs/dbraw/zinc/30/53/00/888305300.db2.gz OIWSMUHZODXOKJ-UWVGGRQHSA-N 2 2 295.343 -2.003 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001382226833 888308457 /nfs/dbraw/zinc/30/84/57/888308457.db2.gz XKRZCDUNDMBSGH-LLVKDONJSA-N 2 2 297.359 -1.654 20 0 CAADLP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001382231911 888309688 /nfs/dbraw/zinc/30/96/88/888309688.db2.gz CFVOUQQHIJAQOA-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001382239201 888310930 /nfs/dbraw/zinc/31/09/30/888310930.db2.gz TXEMHXNFVXJGIE-VHSXEESVSA-N 2 2 299.379 -1.711 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001382268064 888317255 /nfs/dbraw/zinc/31/72/55/888317255.db2.gz SJQLKVIRIIWPII-ONGXEEELSA-N 2 2 295.343 -2.082 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001382268061 888320309 /nfs/dbraw/zinc/32/03/09/888320309.db2.gz SJQLKVIRIIWPII-GXSJLCMTSA-N 2 2 295.343 -2.082 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382271731 888321712 /nfs/dbraw/zinc/32/17/12/888321712.db2.gz FCDARHDYYCVYKV-ZJUUUORDSA-N 2 2 297.359 -1.538 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001382272916 888325454 /nfs/dbraw/zinc/32/54/54/888325454.db2.gz HKEQEHTYBFDXHQ-UWVGGRQHSA-N 2 2 297.359 -1.707 20 0 CAADLP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001382293659 888333795 /nfs/dbraw/zinc/33/37/95/888333795.db2.gz VPZBZCQPMCGSAY-GHMZBOCLSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001382415364 888350814 /nfs/dbraw/zinc/35/08/14/888350814.db2.gz VGQPPGUSOZLKHH-WDEREUQCSA-N 2 2 297.359 -1.444 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001382415362 888353593 /nfs/dbraw/zinc/35/35/93/888353593.db2.gz VGQPPGUSOZLKHH-QWRGUYRKSA-N 2 2 297.359 -1.444 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382430370 888357840 /nfs/dbraw/zinc/35/78/40/888357840.db2.gz ZNXVXOCKDSKKKG-VIFPVBQESA-N 2 2 283.332 -1.893 20 0 CAADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)Cn1cc[nH+]c1 ZINC001382483873 888367731 /nfs/dbraw/zinc/36/77/31/888367731.db2.gz YJDRZFUZPFZBLY-LLVKDONJSA-N 2 2 270.333 -1.374 20 0 CAADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)Cn1cc[nH+]c1 ZINC001382483873 888367745 /nfs/dbraw/zinc/36/77/45/888367745.db2.gz YJDRZFUZPFZBLY-LLVKDONJSA-N 2 2 270.333 -1.374 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001390549621 888590318 /nfs/dbraw/zinc/59/03/18/888590318.db2.gz SHPJZYNCJIZXPF-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001390549621 888590324 /nfs/dbraw/zinc/59/03/24/888590324.db2.gz SHPJZYNCJIZXPF-WDEREUQCSA-N 2 2 284.360 -1.747 20 0 CAADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001390860745 888607307 /nfs/dbraw/zinc/60/73/07/888607307.db2.gz CWYSGJPJMUHSLI-UHFFFAOYSA-N 2 2 287.364 -1.431 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC(N)=O ZINC001390860745 888607296 /nfs/dbraw/zinc/60/72/96/888607296.db2.gz CWYSGJPJMUHSLI-UHFFFAOYSA-N 2 2 287.364 -1.431 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC(N)=O ZINC001390860745 888607299 /nfs/dbraw/zinc/60/72/99/888607299.db2.gz CWYSGJPJMUHSLI-UHFFFAOYSA-N 2 2 287.364 -1.431 20 0 CAADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001390860745 888607305 /nfs/dbraw/zinc/60/73/05/888607305.db2.gz CWYSGJPJMUHSLI-UHFFFAOYSA-N 2 2 287.364 -1.431 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392156261 888664737 /nfs/dbraw/zinc/66/47/37/888664737.db2.gz HHXAXTJXJDMXAT-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392158830 888665740 /nfs/dbraw/zinc/66/57/40/888665740.db2.gz JNGKCVAKTVKLGX-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001392386654 888690210 /nfs/dbraw/zinc/69/02/10/888690210.db2.gz CYPOPRJKGRPZBB-WDEREUQCSA-N 2 2 283.332 -1.270 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001392386654 888690214 /nfs/dbraw/zinc/69/02/14/888690214.db2.gz CYPOPRJKGRPZBB-WDEREUQCSA-N 2 2 283.332 -1.270 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001392409913 888701707 /nfs/dbraw/zinc/70/17/07/888701707.db2.gz NMTBTWKMDSJPGZ-BDAKNGLRSA-N 2 2 283.332 -1.847 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001392412282 888703006 /nfs/dbraw/zinc/70/30/06/888703006.db2.gz VGESSBOHRLMWRE-VHSXEESVSA-N 2 2 297.359 -1.504 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001392425619 888704771 /nfs/dbraw/zinc/70/47/71/888704771.db2.gz YPJNIXRKQYWTQY-SCZZXKLOSA-N 2 2 270.333 -1.292 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001392421958 888705963 /nfs/dbraw/zinc/70/59/63/888705963.db2.gz MRXZYSGWNXOPCY-PWSUYJOCSA-N 2 2 284.360 -1.200 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001392425613 888706059 /nfs/dbraw/zinc/70/60/59/888706059.db2.gz YPJNIXRKQYWTQY-PSASIEDQSA-N 2 2 270.333 -1.292 20 0 CAADLP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392426691 888706340 /nfs/dbraw/zinc/70/63/40/888706340.db2.gz LBVYUKIPLBEFOP-WDEREUQCSA-N 2 2 295.343 -1.820 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001392425624 888707577 /nfs/dbraw/zinc/70/75/77/888707577.db2.gz YPJNIXRKQYWTQY-WCBMZHEXSA-N 2 2 270.333 -1.292 20 0 CAADLP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001392426686 888707797 /nfs/dbraw/zinc/70/77/97/888707797.db2.gz LBVYUKIPLBEFOP-GHMZBOCLSA-N 2 2 295.343 -1.820 20 0 CAADLP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392463789 888712651 /nfs/dbraw/zinc/71/26/51/888712651.db2.gz BWIRBMRMMDHGHC-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392463789 888712664 /nfs/dbraw/zinc/71/26/64/888712664.db2.gz BWIRBMRMMDHGHC-GHMZBOCLSA-N 2 2 296.375 -1.260 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392627009 888727747 /nfs/dbraw/zinc/72/77/47/888727747.db2.gz DMYSSOKFLXROOU-VIFPVBQESA-N 2 2 296.331 -1.567 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001392759558 888735285 /nfs/dbraw/zinc/73/52/85/888735285.db2.gz HMUJLYVURLDXFY-RYUDHWBXSA-N 2 2 298.387 -1.453 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001392759558 888735292 /nfs/dbraw/zinc/73/52/92/888735292.db2.gz HMUJLYVURLDXFY-RYUDHWBXSA-N 2 2 298.387 -1.453 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242857 888764461 /nfs/dbraw/zinc/76/44/61/888764461.db2.gz NDFZFFBTMXJFMS-WCQYABFASA-N 2 2 289.351 -1.161 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242857 888764467 /nfs/dbraw/zinc/76/44/67/888764467.db2.gz NDFZFFBTMXJFMS-WCQYABFASA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393242857 888764470 /nfs/dbraw/zinc/76/44/70/888764470.db2.gz NDFZFFBTMXJFMS-WCQYABFASA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393242857 888764476 /nfs/dbraw/zinc/76/44/76/888764476.db2.gz NDFZFFBTMXJFMS-WCQYABFASA-N 2 2 289.351 -1.161 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242856 888764683 /nfs/dbraw/zinc/76/46/83/888764683.db2.gz NDFZFFBTMXJFMS-DGCLKSJQSA-N 2 2 289.351 -1.161 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCF)C2)C1 ZINC001393242856 888764685 /nfs/dbraw/zinc/76/46/85/888764685.db2.gz NDFZFFBTMXJFMS-DGCLKSJQSA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)C1 ZINC001393242856 888764689 /nfs/dbraw/zinc/76/46/89/888764689.db2.gz NDFZFFBTMXJFMS-DGCLKSJQSA-N 2 2 289.351 -1.161 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)C1 ZINC001393242856 888764694 /nfs/dbraw/zinc/76/46/94/888764694.db2.gz NDFZFFBTMXJFMS-DGCLKSJQSA-N 2 2 289.351 -1.161 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001393357666 888781899 /nfs/dbraw/zinc/78/18/99/888781899.db2.gz FLOIUXVZMQMAGH-SNVBAGLBSA-N 2 2 282.344 -1.265 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393582563 888796261 /nfs/dbraw/zinc/79/62/61/888796261.db2.gz IYYYOCQGXAZIAT-SNVBAGLBSA-N 2 2 295.343 -1.485 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001394579000 888844855 /nfs/dbraw/zinc/84/48/55/888844855.db2.gz NBLOGUYYOZZFIA-MNOVXSKESA-N 2 2 296.375 -1.226 20 0 CAADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001394579000 888844862 /nfs/dbraw/zinc/84/48/62/888844862.db2.gz NBLOGUYYOZZFIA-MNOVXSKESA-N 2 2 296.375 -1.226 20 0 CAADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001394587897 888850879 /nfs/dbraw/zinc/85/08/79/888850879.db2.gz BSTMWMUDKRRQNA-MWLCHTKSSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001394587897 888850888 /nfs/dbraw/zinc/85/08/88/888850888.db2.gz BSTMWMUDKRRQNA-MWLCHTKSSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001394587896 888851271 /nfs/dbraw/zinc/85/12/71/888851271.db2.gz BSTMWMUDKRRQNA-KOLCDFICSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001394587896 888851295 /nfs/dbraw/zinc/85/12/95/888851295.db2.gz BSTMWMUDKRRQNA-KOLCDFICSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001394587895 888853090 /nfs/dbraw/zinc/85/30/90/888853090.db2.gz BSTMWMUDKRRQNA-GXSJLCMTSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001394587895 888853103 /nfs/dbraw/zinc/85/31/03/888853103.db2.gz BSTMWMUDKRRQNA-GXSJLCMTSA-N 2 2 270.333 -1.210 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001394615089 888859480 /nfs/dbraw/zinc/85/94/80/888859480.db2.gz MLZIJBWJCCHFDR-WDEREUQCSA-N 2 2 297.359 -1.526 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001394613322 888860609 /nfs/dbraw/zinc/86/06/09/888860609.db2.gz AEAJTKOWVIKUBV-NSHDSACASA-N 2 2 284.364 -1.667 20 0 CAADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001394615538 888861501 /nfs/dbraw/zinc/86/15/01/888861501.db2.gz KBXHCMFEZKSNKX-NSHDSACASA-N 2 2 283.328 -1.308 20 0 CAADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCO)n1cc[nH+]c1 ZINC001394626580 888863308 /nfs/dbraw/zinc/86/33/08/888863308.db2.gz AQZQVYNNFTVEEB-QWRGUYRKSA-N 2 2 270.333 -1.107 20 0 CAADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCO)n1cc[nH+]c1 ZINC001394626578 888863416 /nfs/dbraw/zinc/86/34/16/888863416.db2.gz AQZQVYNNFTVEEB-MNOVXSKESA-N 2 2 270.333 -1.107 20 0 CAADLP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394641707 888868184 /nfs/dbraw/zinc/86/81/84/888868184.db2.gz GAHSXFALKMDTNN-BDAKNGLRSA-N 2 2 283.332 -1.717 20 0 CAADLP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394641713 888869334 /nfs/dbraw/zinc/86/93/34/888869334.db2.gz GAHSXFALKMDTNN-DTWKUNHWSA-N 2 2 283.332 -1.717 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001394659343 888877228 /nfs/dbraw/zinc/87/72/28/888877228.db2.gz QOMLNGQHBGIRQD-NXEZZACHSA-N 2 2 281.316 -2.162 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001394658289 888879299 /nfs/dbraw/zinc/87/92/99/888879299.db2.gz RTJUOHWDCRSNIQ-VIFPVBQESA-N 2 2 283.332 -2.095 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394766990 888897952 /nfs/dbraw/zinc/89/79/52/888897952.db2.gz WYPBMDSLPGZEBX-WDEREUQCSA-N 2 2 270.333 -1.327 20 0 CAADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394766985 888901094 /nfs/dbraw/zinc/90/10/94/888901094.db2.gz WYPBMDSLPGZEBX-QWRGUYRKSA-N 2 2 270.333 -1.327 20 0 CAADLP Cn1[nH]c(C[N@H+](C)CCNC(=O)CCC[NH+](C)C)nc1=O ZINC001399574915 889051737 /nfs/dbraw/zinc/05/17/37/889051737.db2.gz WTCKYJUJHPWRLE-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP Cn1[nH]c(C[N@@H+](C)CCNC(=O)CCC[NH+](C)C)nc1=O ZINC001399574915 889051748 /nfs/dbraw/zinc/05/17/48/889051748.db2.gz WTCKYJUJHPWRLE-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC001399560817 889052292 /nfs/dbraw/zinc/05/22/92/889052292.db2.gz OFWWANWQHUUHTF-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC001399560817 889052304 /nfs/dbraw/zinc/05/23/04/889052304.db2.gz OFWWANWQHUUHTF-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001399560817 889052318 /nfs/dbraw/zinc/05/23/18/889052318.db2.gz OFWWANWQHUUHTF-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)NC(N)=O ZINC001399560817 889052334 /nfs/dbraw/zinc/05/23/34/889052334.db2.gz OFWWANWQHUUHTF-JTQLQIEISA-N 2 2 299.375 -1.286 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001401550642 889152966 /nfs/dbraw/zinc/15/29/66/889152966.db2.gz YRORYWCBGBRUEN-MWLCHTKSSA-N 2 2 295.343 -2.003 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001401550640 889153904 /nfs/dbraw/zinc/15/39/04/889153904.db2.gz YRORYWCBGBRUEN-KOLCDFICSA-N 2 2 295.343 -2.003 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001401556881 889157777 /nfs/dbraw/zinc/15/77/77/889157777.db2.gz PMOSBWBUFNANPS-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401574319 889160327 /nfs/dbraw/zinc/16/03/27/889160327.db2.gz YNRZSJMPKDAVFE-SNVBAGLBSA-N 2 2 297.359 -1.537 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001401568278 889160632 /nfs/dbraw/zinc/16/06/32/889160632.db2.gz ZOMLVSPTMSPZJU-MWLCHTKSSA-N 2 2 270.333 -1.210 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001401568278 889160637 /nfs/dbraw/zinc/16/06/37/889160637.db2.gz ZOMLVSPTMSPZJU-MWLCHTKSSA-N 2 2 270.333 -1.210 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401572182 889161187 /nfs/dbraw/zinc/16/11/87/889161187.db2.gz UWZJCVOWTPOKKM-VIFPVBQESA-N 2 2 283.332 -1.927 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001401568210 889161364 /nfs/dbraw/zinc/16/13/64/889161364.db2.gz GQYNJJZPGYOWSM-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001401568205 889161433 /nfs/dbraw/zinc/16/14/33/889161433.db2.gz GQYNJJZPGYOWSM-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001401566678 889161506 /nfs/dbraw/zinc/16/15/06/889161506.db2.gz FSMAPAPVWYMBPI-RYUDHWBXSA-N 2 2 282.344 -1.014 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001401568213 889161551 /nfs/dbraw/zinc/16/15/51/889161551.db2.gz GQYNJJZPGYOWSM-WDEREUQCSA-N 2 2 295.343 -1.772 20 0 CAADLP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)nn1 ZINC001401575473 889164913 /nfs/dbraw/zinc/16/49/13/889164913.db2.gz QDJPVMYKVAHDTC-NSHDSACASA-N 2 2 293.331 -1.722 20 0 CAADLP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001401585174 889164946 /nfs/dbraw/zinc/16/49/46/889164946.db2.gz OPMYCXIMVZONPJ-QWRGUYRKSA-N 2 2 297.359 -1.707 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401585201 889164998 /nfs/dbraw/zinc/16/49/98/889164998.db2.gz YPWHGERYKYXIBK-SNVBAGLBSA-N 2 2 283.332 -1.893 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401616429 889171286 /nfs/dbraw/zinc/17/12/86/889171286.db2.gz DROJBDSUGIUUNM-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401616429 889171295 /nfs/dbraw/zinc/17/12/95/889171295.db2.gz DROJBDSUGIUUNM-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401718594 889178389 /nfs/dbraw/zinc/17/83/89/889178389.db2.gz QXJPYLVZZYTAOU-ONGXEEELSA-N 2 2 279.344 -1.055 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827839 889187750 /nfs/dbraw/zinc/18/77/50/889187750.db2.gz BHUSWLINRGHADJ-GHMZBOCLSA-N 2 2 284.360 -1.713 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001401827839 889187758 /nfs/dbraw/zinc/18/77/58/889187758.db2.gz BHUSWLINRGHADJ-GHMZBOCLSA-N 2 2 284.360 -1.713 20 0 CAADLP Cc1[nH+]ccn1CC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001402157294 889204201 /nfs/dbraw/zinc/20/42/01/889204201.db2.gz GZSIPMCEHVLIDJ-UHFFFAOYSA-N 2 2 295.387 -1.082 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001402294861 889221891 /nfs/dbraw/zinc/22/18/91/889221891.db2.gz NMSNBTPBGQSMGY-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001402294861 889221908 /nfs/dbraw/zinc/22/19/08/889221908.db2.gz NMSNBTPBGQSMGY-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP CC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001402393811 889235750 /nfs/dbraw/zinc/23/57/50/889235750.db2.gz URFYHQYAVKHYDE-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP CC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001402393811 889235761 /nfs/dbraw/zinc/23/57/61/889235761.db2.gz URFYHQYAVKHYDE-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@H]([NH2+]CCN(CCO)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001402464656 889240925 /nfs/dbraw/zinc/24/09/25/889240925.db2.gz ALEWRSHZXMNQSQ-JTQLQIEISA-N 2 2 297.359 -1.753 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869383 889265536 /nfs/dbraw/zinc/26/55/36/889265536.db2.gz OXYKEABBROPIDD-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869383 889265555 /nfs/dbraw/zinc/26/55/55/889265555.db2.gz OXYKEABBROPIDD-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869385 889265763 /nfs/dbraw/zinc/26/57/63/889265763.db2.gz OXYKEABBROPIDD-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnnn1C ZINC001402869385 889265776 /nfs/dbraw/zinc/26/57/76/889265776.db2.gz OXYKEABBROPIDD-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873980 889268928 /nfs/dbraw/zinc/26/89/28/889268928.db2.gz VXNXMCGMBQSHBF-MNOVXSKESA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nncn1C ZINC001402873980 889268944 /nfs/dbraw/zinc/26/89/44/889268944.db2.gz VXNXMCGMBQSHBF-MNOVXSKESA-N 2 2 296.375 -1.260 20 0 CAADLP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403149833 889288373 /nfs/dbraw/zinc/28/83/73/889288373.db2.gz XDSNFFOOJVMLMC-QWRGUYRKSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001403429299 889302310 /nfs/dbraw/zinc/30/23/10/889302310.db2.gz WNBIRTAGNTVUHH-WDEREUQCSA-N 2 2 295.343 -1.426 20 0 CAADLP C[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)C1CCC1 ZINC001403579796 889319705 /nfs/dbraw/zinc/31/97/05/889319705.db2.gz VXRYDHWTZRBRII-UHFFFAOYSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O)C1CCC1 ZINC001403579796 889319714 /nfs/dbraw/zinc/31/97/14/889319714.db2.gz VXRYDHWTZRBRII-UHFFFAOYSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)NC(N)=O ZINC001403579796 889319723 /nfs/dbraw/zinc/31/97/23/889319723.db2.gz VXRYDHWTZRBRII-UHFFFAOYSA-N 2 2 299.375 -1.286 20 0 CAADLP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)NC(N)=O ZINC001403579796 889319736 /nfs/dbraw/zinc/31/97/36/889319736.db2.gz VXRYDHWTZRBRII-UHFFFAOYSA-N 2 2 299.375 -1.286 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001403621532 889322763 /nfs/dbraw/zinc/32/27/63/889322763.db2.gz ASPPGVTWFXGDAD-UHFFFAOYSA-N 2 2 296.331 -1.566 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001403621532 889322757 /nfs/dbraw/zinc/32/27/57/889322757.db2.gz ASPPGVTWFXGDAD-UHFFFAOYSA-N 2 2 296.331 -1.566 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001403639738 889328069 /nfs/dbraw/zinc/32/80/69/889328069.db2.gz BJRVNOXBJWVOQO-VXGBXAGGSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001403639738 889328080 /nfs/dbraw/zinc/32/80/80/889328080.db2.gz BJRVNOXBJWVOQO-VXGBXAGGSA-N 2 2 296.375 -1.524 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001403658947 889334111 /nfs/dbraw/zinc/33/41/11/889334111.db2.gz CHXGXOORFDKMDI-WDEREUQCSA-N 2 2 282.344 -1.496 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668905 889341220 /nfs/dbraw/zinc/34/12/20/889341220.db2.gz VLPDRQKIWGLCEQ-IUCAKERBSA-N 2 2 274.321 -3.131 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001403668905 889341233 /nfs/dbraw/zinc/34/12/33/889341233.db2.gz VLPDRQKIWGLCEQ-IUCAKERBSA-N 2 2 274.321 -3.131 20 0 CAADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001403683353 889343763 /nfs/dbraw/zinc/34/37/63/889343763.db2.gz PAMAOMFXDWEHNT-VXGBXAGGSA-N 2 2 298.391 -1.278 20 0 CAADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001403697371 889347339 /nfs/dbraw/zinc/34/73/39/889347339.db2.gz HUHMVDQJAXUDKD-RYUDHWBXSA-N 2 2 298.391 -1.278 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001403694905 889349420 /nfs/dbraw/zinc/34/94/20/889349420.db2.gz DJLSJSQXMHPNGL-HBNTYKKESA-N 2 2 282.344 -1.417 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001403694902 889349464 /nfs/dbraw/zinc/34/94/64/889349464.db2.gz DJLSJSQXMHPNGL-GMTAPVOTSA-N 2 2 282.344 -1.417 20 0 CAADLP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001403715191 889355278 /nfs/dbraw/zinc/35/52/78/889355278.db2.gz BEFDVOGEQUGYQB-KOLCDFICSA-N 2 2 297.359 -1.707 20 0 CAADLP O=C(C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)NC1CC1 ZINC001403738348 889362209 /nfs/dbraw/zinc/36/22/09/889362209.db2.gz GRZVMBRRQPLUJY-GFCCVEGCSA-N 2 2 298.387 -1.573 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001403841672 889374375 /nfs/dbraw/zinc/37/43/75/889374375.db2.gz GPHWNACPCXLFJI-SNVBAGLBSA-N 2 2 283.332 -1.764 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001403841672 889374390 /nfs/dbraw/zinc/37/43/90/889374390.db2.gz GPHWNACPCXLFJI-SNVBAGLBSA-N 2 2 283.332 -1.764 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001403841670 889376586 /nfs/dbraw/zinc/37/65/86/889376586.db2.gz GPHWNACPCXLFJI-JTQLQIEISA-N 2 2 283.332 -1.764 20 0 CAADLP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001403841670 889376597 /nfs/dbraw/zinc/37/65/97/889376597.db2.gz GPHWNACPCXLFJI-JTQLQIEISA-N 2 2 283.332 -1.764 20 0 CAADLP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001403884135 889385632 /nfs/dbraw/zinc/38/56/32/889385632.db2.gz VWOGEBJFABEZSM-QWRGUYRKSA-N 2 2 295.343 -1.750 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001404188947 889399911 /nfs/dbraw/zinc/39/99/11/889399911.db2.gz GRPINWAAAGQWAG-LBPRGKRZSA-N 2 2 298.387 -1.368 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001404188947 889399922 /nfs/dbraw/zinc/39/99/22/889399922.db2.gz GRPINWAAAGQWAG-LBPRGKRZSA-N 2 2 298.387 -1.368 20 0 CAADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001404810888 889418459 /nfs/dbraw/zinc/41/84/59/889418459.db2.gz XWONMNSVSOUOCG-CYBMUJFWSA-N 2 2 295.387 -1.004 20 0 CAADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001405372282 889452738 /nfs/dbraw/zinc/45/27/38/889452738.db2.gz QDFVKNWFTGCLOJ-VIFPVBQESA-N 2 2 296.331 -1.438 20 0 CAADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001405372277 889452818 /nfs/dbraw/zinc/45/28/18/889452818.db2.gz QDFVKNWFTGCLOJ-SECBINFHSA-N 2 2 296.331 -1.438 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001405369386 889453316 /nfs/dbraw/zinc/45/33/16/889453316.db2.gz CONRPBNPMXOGDQ-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001405789048 889467123 /nfs/dbraw/zinc/46/71/23/889467123.db2.gz AILXYTIXVDWMMS-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001405789048 889467131 /nfs/dbraw/zinc/46/71/31/889467131.db2.gz AILXYTIXVDWMMS-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405875507 889471131 /nfs/dbraw/zinc/47/11/31/889471131.db2.gz UZUZYQQXMJBMNN-QMMMGPOBSA-N 2 2 296.331 -1.416 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001406278650 889507142 /nfs/dbraw/zinc/50/71/42/889507142.db2.gz UGEIHMQCXDNLPE-QWRGUYRKSA-N 2 2 295.343 -1.703 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406784340 889538412 /nfs/dbraw/zinc/53/84/12/889538412.db2.gz OGUCSRQAKVMLGT-NSHDSACASA-N 2 2 279.344 -1.068 20 0 CAADLP Cn1nnnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001406959046 889550111 /nfs/dbraw/zinc/55/01/11/889550111.db2.gz RIGSGIVLEKMGCW-UHFFFAOYSA-N 2 2 281.364 -1.100 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001407089792 889552309 /nfs/dbraw/zinc/55/23/09/889552309.db2.gz BRBWOVRHGNSEBH-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001407089792 889552313 /nfs/dbraw/zinc/55/23/13/889552313.db2.gz BRBWOVRHGNSEBH-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389807 889570069 /nfs/dbraw/zinc/57/00/69/889570069.db2.gz YYLAMSAJLQRWEL-WCQYABFASA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407389807 889570079 /nfs/dbraw/zinc/57/00/79/889570079.db2.gz YYLAMSAJLQRWEL-WCQYABFASA-N 2 2 282.344 -1.183 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407473189 889579605 /nfs/dbraw/zinc/57/96/05/889579605.db2.gz TWVOGDSGTDWXNY-LLVKDONJSA-N 2 2 271.361 -1.374 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001407671342 889588018 /nfs/dbraw/zinc/58/80/18/889588018.db2.gz JCBGITRGDJTOAN-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407845119 889592103 /nfs/dbraw/zinc/59/21/03/889592103.db2.gz CUNBRVFHMHXRTR-NSHDSACASA-N 2 2 295.343 -1.554 20 0 CAADLP O=C(NC1(CCO)C[NH+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001409697054 889640971 /nfs/dbraw/zinc/64/09/71/889640971.db2.gz IOTGNQPCCRIEIR-ZDUSSCGKSA-N 2 2 297.399 -1.127 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001410586209 889686933 /nfs/dbraw/zinc/68/69/33/889686933.db2.gz LQWLJTSNPSMLHI-MNOVXSKESA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001410586209 889686939 /nfs/dbraw/zinc/68/69/39/889686939.db2.gz LQWLJTSNPSMLHI-MNOVXSKESA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001410586214 889688472 /nfs/dbraw/zinc/68/84/72/889688472.db2.gz LQWLJTSNPSMLHI-QWRGUYRKSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001410586214 889688478 /nfs/dbraw/zinc/68/84/78/889688478.db2.gz LQWLJTSNPSMLHI-QWRGUYRKSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001410586205 889688505 /nfs/dbraw/zinc/68/85/05/889688505.db2.gz LQWLJTSNPSMLHI-GHMZBOCLSA-N 2 2 296.375 -1.524 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001410586205 889688513 /nfs/dbraw/zinc/68/85/13/889688513.db2.gz LQWLJTSNPSMLHI-GHMZBOCLSA-N 2 2 296.375 -1.524 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001410674205 889697398 /nfs/dbraw/zinc/69/73/98/889697398.db2.gz KAFBHNRAMZNMSO-GHMZBOCLSA-N 2 2 282.344 -1.496 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001410686973 889698436 /nfs/dbraw/zinc/69/84/36/889698436.db2.gz WIVVOXCOGAQIED-ZJUUUORDSA-N 2 2 272.349 -1.977 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001410686973 889698438 /nfs/dbraw/zinc/69/84/38/889698438.db2.gz WIVVOXCOGAQIED-ZJUUUORDSA-N 2 2 272.349 -1.977 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001410686970 889699077 /nfs/dbraw/zinc/69/90/77/889699077.db2.gz WIVVOXCOGAQIED-VHSXEESVSA-N 2 2 272.349 -1.977 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001410686970 889699088 /nfs/dbraw/zinc/69/90/88/889699088.db2.gz WIVVOXCOGAQIED-VHSXEESVSA-N 2 2 272.349 -1.977 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001410686959 889700074 /nfs/dbraw/zinc/70/00/74/889700074.db2.gz WIVVOXCOGAQIED-UWVGGRQHSA-N 2 2 272.349 -1.977 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001410686959 889700061 /nfs/dbraw/zinc/70/00/61/889700061.db2.gz WIVVOXCOGAQIED-UWVGGRQHSA-N 2 2 272.349 -1.977 20 0 CAADLP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001410735812 889711030 /nfs/dbraw/zinc/71/10/30/889711030.db2.gz VJVPBYHLHVLAPI-GHMZBOCLSA-N 2 2 297.359 -1.353 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001410735817 889711533 /nfs/dbraw/zinc/71/15/33/889711533.db2.gz VJVPBYHLHVLAPI-MNOVXSKESA-N 2 2 297.359 -1.353 20 0 CAADLP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001410735820 889711596 /nfs/dbraw/zinc/71/15/96/889711596.db2.gz VJVPBYHLHVLAPI-QWRGUYRKSA-N 2 2 297.359 -1.353 20 0 CAADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001410774240 889713216 /nfs/dbraw/zinc/71/32/16/889713216.db2.gz CTLILZZDFVMANZ-QWRGUYRKSA-N 2 2 284.360 -1.200 20 0 CAADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001410774245 889713315 /nfs/dbraw/zinc/71/33/15/889713315.db2.gz CTLILZZDFVMANZ-WDEREUQCSA-N 2 2 284.360 -1.200 20 0 CAADLP O=C(C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1)NC1CC1 ZINC001410814386 889718227 /nfs/dbraw/zinc/71/82/27/889718227.db2.gz GLPORCSVCCYEEZ-LLVKDONJSA-N 2 2 295.343 -1.772 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001410795331 889718887 /nfs/dbraw/zinc/71/88/87/889718887.db2.gz WQEVBDIGMHTWQL-LLVKDONJSA-N 2 2 297.359 -1.606 20 0 CAADLP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001410795348 889719116 /nfs/dbraw/zinc/71/91/16/889719116.db2.gz WQEVBDIGMHTWQL-NSHDSACASA-N 2 2 297.359 -1.606 20 0 CAADLP O=C(C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1)NC1CC1 ZINC001410814388 889719202 /nfs/dbraw/zinc/71/92/02/889719202.db2.gz GLPORCSVCCYEEZ-NSHDSACASA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001411183268 889744741 /nfs/dbraw/zinc/74/47/41/889744741.db2.gz FGDHJLRCXJFRDU-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001411183268 889744752 /nfs/dbraw/zinc/74/47/52/889744752.db2.gz FGDHJLRCXJFRDU-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC001413017387 889924737 /nfs/dbraw/zinc/92/47/37/889924737.db2.gz FYYKJGLGVYENDG-GRYCIOLGSA-N 2 2 290.360 -1.154 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC001413017387 889924746 /nfs/dbraw/zinc/92/47/46/889924746.db2.gz FYYKJGLGVYENDG-GRYCIOLGSA-N 2 2 290.360 -1.154 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001417779058 890171889 /nfs/dbraw/zinc/17/18/89/890171889.db2.gz SYLWTFLBSKTVNP-AOOOYVTPSA-N 2 2 279.344 -1.068 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210750 890196288 /nfs/dbraw/zinc/19/62/88/890196288.db2.gz HLRWAQHEGHYNHZ-UWVGGRQHSA-N 2 2 281.364 -1.101 20 0 CAADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001418210750 890196290 /nfs/dbraw/zinc/19/62/90/890196290.db2.gz HLRWAQHEGHYNHZ-UWVGGRQHSA-N 2 2 281.364 -1.101 20 0 CAADLP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418324054 890207313 /nfs/dbraw/zinc/20/73/13/890207313.db2.gz XDSNFFOOJVMLMC-WDEREUQCSA-N 2 2 270.333 -1.015 20 0 CAADLP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001418448322 890222636 /nfs/dbraw/zinc/22/26/36/890222636.db2.gz LHPJPKBWFCGMSJ-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001418448322 890222651 /nfs/dbraw/zinc/22/26/51/890222651.db2.gz LHPJPKBWFCGMSJ-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418448322 890222664 /nfs/dbraw/zinc/22/26/64/890222664.db2.gz LHPJPKBWFCGMSJ-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418448322 890222678 /nfs/dbraw/zinc/22/26/78/890222678.db2.gz LHPJPKBWFCGMSJ-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001418522985 890234446 /nfs/dbraw/zinc/23/44/46/890234446.db2.gz BONZXRADWFBIAS-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001418522985 890234391 /nfs/dbraw/zinc/23/43/91/890234391.db2.gz BONZXRADWFBIAS-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001418522985 890234411 /nfs/dbraw/zinc/23/44/11/890234411.db2.gz BONZXRADWFBIAS-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001418522985 890234430 /nfs/dbraw/zinc/23/44/30/890234430.db2.gz BONZXRADWFBIAS-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)NC(N)=O ZINC001418819150 890265578 /nfs/dbraw/zinc/26/55/78/890265578.db2.gz KVEQAOHNMLKIHZ-MRVPVSSYSA-N 2 2 296.331 -1.416 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001420131477 890396779 /nfs/dbraw/zinc/39/67/79/890396779.db2.gz APUGNQLNTYVOHF-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001420131477 890396794 /nfs/dbraw/zinc/39/67/94/890396794.db2.gz APUGNQLNTYVOHF-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001420142788 890398071 /nfs/dbraw/zinc/39/80/71/890398071.db2.gz ISCSCJKJWJYWFJ-NXEZZACHSA-N 2 2 295.343 -2.003 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001420131475 890400414 /nfs/dbraw/zinc/40/04/14/890400414.db2.gz APUGNQLNTYVOHF-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001420131475 890400423 /nfs/dbraw/zinc/40/04/23/890400423.db2.gz APUGNQLNTYVOHF-LLVKDONJSA-N 2 2 297.359 -1.503 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001420156258 890402948 /nfs/dbraw/zinc/40/29/48/890402948.db2.gz HPUYRINEEQVYLZ-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177378 890405830 /nfs/dbraw/zinc/40/58/30/890405830.db2.gz WVKFBVXNILNAPU-ZYHUDNBSSA-N 2 2 297.359 -1.022 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177378 890405837 /nfs/dbraw/zinc/40/58/37/890405837.db2.gz WVKFBVXNILNAPU-ZYHUDNBSSA-N 2 2 297.359 -1.022 20 0 CAADLP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001420177336 890407009 /nfs/dbraw/zinc/40/70/09/890407009.db2.gz JWIMIZZAADTXDA-QWRGUYRKSA-N 2 2 295.343 -1.750 20 0 CAADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177377 890407811 /nfs/dbraw/zinc/40/78/11/890407811.db2.gz WVKFBVXNILNAPU-PWSUYJOCSA-N 2 2 297.359 -1.022 20 0 CAADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177377 890407804 /nfs/dbraw/zinc/40/78/04/890407804.db2.gz WVKFBVXNILNAPU-PWSUYJOCSA-N 2 2 297.359 -1.022 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177375 890408505 /nfs/dbraw/zinc/40/85/05/890408505.db2.gz WVKFBVXNILNAPU-JQWIXIFHSA-N 2 2 297.359 -1.022 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001420177375 890408510 /nfs/dbraw/zinc/40/85/10/890408510.db2.gz WVKFBVXNILNAPU-JQWIXIFHSA-N 2 2 297.359 -1.022 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001420189507 890410233 /nfs/dbraw/zinc/41/02/33/890410233.db2.gz DWKYMEUDGWEDLC-GXSJLCMTSA-N 2 2 270.333 -1.590 20 0 CAADLP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001420201423 890415031 /nfs/dbraw/zinc/41/50/31/890415031.db2.gz DKPYZBKYKFIKRI-GHMZBOCLSA-N 2 2 270.333 -1.015 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC(N)=O ZINC001420341133 890433430 /nfs/dbraw/zinc/43/34/30/890433430.db2.gz NQUQMOIRGNABHC-UHFFFAOYSA-N 2 2 287.364 -1.429 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC(N)=O ZINC001420341133 890433437 /nfs/dbraw/zinc/43/34/37/890433437.db2.gz NQUQMOIRGNABHC-UHFFFAOYSA-N 2 2 287.364 -1.429 20 0 CAADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001420341133 890433444 /nfs/dbraw/zinc/43/34/44/890433444.db2.gz NQUQMOIRGNABHC-UHFFFAOYSA-N 2 2 287.364 -1.429 20 0 CAADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001420341133 890433451 /nfs/dbraw/zinc/43/34/51/890433451.db2.gz NQUQMOIRGNABHC-UHFFFAOYSA-N 2 2 287.364 -1.429 20 0 CAADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420405823 890435612 /nfs/dbraw/zinc/43/56/12/890435612.db2.gz RFTCVJNUJJURQB-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420405823 890435625 /nfs/dbraw/zinc/43/56/25/890435625.db2.gz RFTCVJNUJJURQB-JQWIXIFHSA-N 2 2 296.375 -1.260 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420406857 890441939 /nfs/dbraw/zinc/44/19/39/890441939.db2.gz XARKUARBTRYVRZ-WDEREUQCSA-N 2 2 286.376 -1.453 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420406857 890441942 /nfs/dbraw/zinc/44/19/42/890441942.db2.gz XARKUARBTRYVRZ-WDEREUQCSA-N 2 2 286.376 -1.453 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421388085 890503551 /nfs/dbraw/zinc/50/35/51/890503551.db2.gz LAQYPRMAXYDKHP-CQSZACIVSA-N 2 2 298.387 -1.619 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421388085 890503558 /nfs/dbraw/zinc/50/35/58/890503558.db2.gz LAQYPRMAXYDKHP-CQSZACIVSA-N 2 2 298.387 -1.619 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625645 890520946 /nfs/dbraw/zinc/52/09/46/890520946.db2.gz VDEZHDIJFFUITC-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625645 890520957 /nfs/dbraw/zinc/52/09/57/890520957.db2.gz VDEZHDIJFFUITC-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001421625645 890520968 /nfs/dbraw/zinc/52/09/68/890520968.db2.gz VDEZHDIJFFUITC-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001421625645 890520983 /nfs/dbraw/zinc/52/09/83/890520983.db2.gz VDEZHDIJFFUITC-BXUZGUMPSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625647 890521533 /nfs/dbraw/zinc/52/15/33/890521533.db2.gz VDEZHDIJFFUITC-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625647 890521544 /nfs/dbraw/zinc/52/15/44/890521544.db2.gz VDEZHDIJFFUITC-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001421625647 890521552 /nfs/dbraw/zinc/52/15/52/890521552.db2.gz VDEZHDIJFFUITC-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001421625647 890521565 /nfs/dbraw/zinc/52/15/65/890521565.db2.gz VDEZHDIJFFUITC-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625649 890522660 /nfs/dbraw/zinc/52/26/60/890522660.db2.gz VDEZHDIJFFUITC-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CC(N)=O)C2)C1 ZINC001421625649 890522667 /nfs/dbraw/zinc/52/26/67/890522667.db2.gz VDEZHDIJFFUITC-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CC(N)=O)C2)C1 ZINC001421625649 890522670 /nfs/dbraw/zinc/52/26/70/890522670.db2.gz VDEZHDIJFFUITC-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CC(N)=O)C2)C1 ZINC001421625649 890522675 /nfs/dbraw/zinc/52/26/75/890522675.db2.gz VDEZHDIJFFUITC-RISCZKNCSA-N 2 2 298.387 -1.634 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001421812389 890536865 /nfs/dbraw/zinc/53/68/65/890536865.db2.gz AJDAEKLQYWICSU-LLVKDONJSA-N 2 2 295.343 -1.485 20 0 CAADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1)C(N)=O ZINC001421825107 890536909 /nfs/dbraw/zinc/53/69/09/890536909.db2.gz JRPMDCKZNMDRRO-GHMZBOCLSA-N 2 2 295.343 -1.426 20 0 CAADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001421982074 890544159 /nfs/dbraw/zinc/54/41/59/890544159.db2.gz NRLANVZZXJETRL-ZDUSSCGKSA-N 2 2 282.344 -1.112 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001422355393 890580399 /nfs/dbraw/zinc/58/03/99/890580399.db2.gz YFBXATMEWGRIEH-SNVBAGLBSA-N 2 2 283.332 -1.914 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001422353978 890580629 /nfs/dbraw/zinc/58/06/29/890580629.db2.gz WRPNIMKYGOKXFB-UWVGGRQHSA-N 2 2 283.332 -1.786 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001422353980 890580835 /nfs/dbraw/zinc/58/08/35/890580835.db2.gz WRPNIMKYGOKXFB-VHSXEESVSA-N 2 2 283.332 -1.786 20 0 CAADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(N)=O ZINC001423190603 890635722 /nfs/dbraw/zinc/63/57/22/890635722.db2.gz WORNROSTVIAQMY-SECBINFHSA-N 2 2 296.331 -1.486 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001423246259 890651772 /nfs/dbraw/zinc/65/17/72/890651772.db2.gz NSWDSBBNNGOGLZ-UWVGGRQHSA-N 2 2 297.359 -1.707 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299811 890663459 /nfs/dbraw/zinc/66/34/59/890663459.db2.gz JUHBNEVSNKKCRX-NXEZZACHSA-N 2 2 288.348 -2.741 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001423299811 890663460 /nfs/dbraw/zinc/66/34/60/890663460.db2.gz JUHBNEVSNKKCRX-NXEZZACHSA-N 2 2 288.348 -2.741 20 0 CAADLP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423299115 890663519 /nfs/dbraw/zinc/66/35/19/890663519.db2.gz FEAQVTGGOXIVFT-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001423307606 890665083 /nfs/dbraw/zinc/66/50/83/890665083.db2.gz QMJFDMQBQIEGQM-GFCCVEGCSA-N 2 2 296.375 -1.522 20 0 CAADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001423307382 890665501 /nfs/dbraw/zinc/66/55/01/890665501.db2.gz HAOPFLTUXQDYNT-GHMZBOCLSA-N 2 2 297.359 -1.574 20 0 CAADLP C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001423465564 890677483 /nfs/dbraw/zinc/67/74/83/890677483.db2.gz KCOSKQSIIIIXSU-MNOVXSKESA-N 2 2 297.359 -1.272 20 0 CAADLP C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001423465567 890677845 /nfs/dbraw/zinc/67/78/45/890677845.db2.gz KCOSKQSIIIIXSU-QWRGUYRKSA-N 2 2 297.359 -1.272 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001423487249 890680631 /nfs/dbraw/zinc/68/06/31/890680631.db2.gz ZRODGTIMXZISFO-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001423479165 890680996 /nfs/dbraw/zinc/68/09/96/890680996.db2.gz LRNXSJBZLROJHC-PWSUYJOCSA-N 2 2 284.360 -1.248 20 0 CAADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001423773655 890699195 /nfs/dbraw/zinc/69/91/95/890699195.db2.gz LCNNQIRUIHVYKE-FZMZJTMJSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001423773655 890699200 /nfs/dbraw/zinc/69/92/00/890699200.db2.gz LCNNQIRUIHVYKE-FZMZJTMJSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001423773655 890699204 /nfs/dbraw/zinc/69/92/04/890699204.db2.gz LCNNQIRUIHVYKE-FZMZJTMJSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001423773655 890699208 /nfs/dbraw/zinc/69/92/08/890699208.db2.gz LCNNQIRUIHVYKE-FZMZJTMJSA-N 2 2 298.387 -1.491 20 0 CAADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423899591 890711307 /nfs/dbraw/zinc/71/13/07/890711307.db2.gz GFKUCAOZSLIHPC-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001423899591 890711321 /nfs/dbraw/zinc/71/13/21/890711321.db2.gz GFKUCAOZSLIHPC-UHFFFAOYSA-N 2 2 273.377 -1.127 20 0 CAADLP NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001424406237 890732867 /nfs/dbraw/zinc/73/28/67/890732867.db2.gz LCFKEHKREXTARS-CYBMUJFWSA-N 2 2 295.343 -1.689 20 0 CAADLP NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001424406246 890734642 /nfs/dbraw/zinc/73/46/42/890734642.db2.gz LCFKEHKREXTARS-ZDUSSCGKSA-N 2 2 295.343 -1.689 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424750450 890741771 /nfs/dbraw/zinc/74/17/71/890741771.db2.gz KRRSWYSEEAQLDD-UHFFFAOYSA-N 2 2 279.344 -1.068 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001425710518 890795456 /nfs/dbraw/zinc/79/54/56/890795456.db2.gz IWPKVRALUNVTEA-ZJUUUORDSA-N 2 2 297.363 -2.129 20 0 CAADLP Cn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001425710518 890795468 /nfs/dbraw/zinc/79/54/68/890795468.db2.gz IWPKVRALUNVTEA-ZJUUUORDSA-N 2 2 297.363 -2.129 20 0 CAADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425776884 890818396 /nfs/dbraw/zinc/81/83/96/890818396.db2.gz PNVQKOQHULUSOS-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425782688 890818421 /nfs/dbraw/zinc/81/84/21/890818421.db2.gz LATYQHWZOJWDRA-LLVKDONJSA-N 2 2 297.359 -1.606 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425789860 890822192 /nfs/dbraw/zinc/82/21/92/890822192.db2.gz HZNDSMFNSRRAOD-NWDGAFQWSA-N 2 2 298.387 -1.620 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425789860 890822211 /nfs/dbraw/zinc/82/22/11/890822211.db2.gz HZNDSMFNSRRAOD-NWDGAFQWSA-N 2 2 298.387 -1.620 20 0 CAADLP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001425829402 890827690 /nfs/dbraw/zinc/82/76/90/890827690.db2.gz SXKCBIWQAUNRIA-UWVGGRQHSA-N 2 2 283.332 -1.717 20 0 CAADLP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001425829397 890829053 /nfs/dbraw/zinc/82/90/53/890829053.db2.gz SXKCBIWQAUNRIA-NXEZZACHSA-N 2 2 283.332 -1.717 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001425836982 890830575 /nfs/dbraw/zinc/83/05/75/890830575.db2.gz IWGUQXICICFDSE-QWRGUYRKSA-N 2 2 296.375 -1.368 20 0 CAADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001425836982 890830584 /nfs/dbraw/zinc/83/05/84/890830584.db2.gz IWGUQXICICFDSE-QWRGUYRKSA-N 2 2 296.375 -1.368 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001425844918 890831830 /nfs/dbraw/zinc/83/18/30/890831830.db2.gz UFFTVMLQGFKICN-JTQLQIEISA-N 2 2 297.359 -1.584 20 0 CAADLP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001425846109 890832128 /nfs/dbraw/zinc/83/21/28/890832128.db2.gz IASLXKMJTQXNEE-MNOVXSKESA-N 2 2 295.343 -1.820 20 0 CAADLP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425854317 890833076 /nfs/dbraw/zinc/83/30/76/890833076.db2.gz ZOUAZWZCUMSJRF-JTQLQIEISA-N 2 2 293.331 -1.722 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425852883 890833190 /nfs/dbraw/zinc/83/31/90/890833190.db2.gz WVGQJQBEYJWKNV-NWDGAFQWSA-N 2 2 282.344 -1.014 20 0 CAADLP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001425846105 890833206 /nfs/dbraw/zinc/83/32/06/890833206.db2.gz IASLXKMJTQXNEE-GHMZBOCLSA-N 2 2 295.343 -1.820 20 0 CAADLP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001425854322 890833460 /nfs/dbraw/zinc/83/34/60/890833460.db2.gz ZOUAZWZCUMSJRF-SNVBAGLBSA-N 2 2 293.331 -1.722 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001426032432 890844332 /nfs/dbraw/zinc/84/43/32/890844332.db2.gz JRBUNSXUDHASQI-ONGXEEELSA-N 2 2 297.359 -1.518 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001426032432 890844340 /nfs/dbraw/zinc/84/43/40/890844340.db2.gz JRBUNSXUDHASQI-ONGXEEELSA-N 2 2 297.359 -1.518 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001426022377 890844483 /nfs/dbraw/zinc/84/44/83/890844483.db2.gz GFGFWTRGISTFBS-VHSXEESVSA-N 2 2 270.333 -1.258 20 0 CAADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001426032430 890845178 /nfs/dbraw/zinc/84/51/78/890845178.db2.gz JRBUNSXUDHASQI-KOLCDFICSA-N 2 2 297.359 -1.518 20 0 CAADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001426032430 890845189 /nfs/dbraw/zinc/84/51/89/890845189.db2.gz JRBUNSXUDHASQI-KOLCDFICSA-N 2 2 297.359 -1.518 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC001434478315 891120014 /nfs/dbraw/zinc/12/00/14/891120014.db2.gz RWEKQPIDERSSKH-RWMBFGLXSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC001434478315 891120018 /nfs/dbraw/zinc/12/00/18/891120018.db2.gz RWEKQPIDERSSKH-RWMBFGLXSA-N 2 2 276.377 -1.257 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001437235863 891171434 /nfs/dbraw/zinc/17/14/34/891171434.db2.gz KNUVNBJSBCFJAR-KOLCDFICSA-N 2 2 279.344 -1.055 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437810623 891193658 /nfs/dbraw/zinc/19/36/58/891193658.db2.gz BPRBLOHHWHSUAB-LBPRGKRZSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001437810623 891193663 /nfs/dbraw/zinc/19/36/63/891193663.db2.gz BPRBLOHHWHSUAB-LBPRGKRZSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001437810623 891193667 /nfs/dbraw/zinc/19/36/67/891193667.db2.gz BPRBLOHHWHSUAB-LBPRGKRZSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001437810623 891193672 /nfs/dbraw/zinc/19/36/72/891193672.db2.gz BPRBLOHHWHSUAB-LBPRGKRZSA-N 2 2 298.387 -1.227 20 0 CAADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001438923472 891235929 /nfs/dbraw/zinc/23/59/29/891235929.db2.gz SXZBUVSHHJXCNT-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001438923472 891235943 /nfs/dbraw/zinc/23/59/43/891235943.db2.gz SXZBUVSHHJXCNT-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001438992084 891259857 /nfs/dbraw/zinc/25/98/57/891259857.db2.gz HNENFVGZVQADCK-KOLCDFICSA-N 2 2 297.359 -1.457 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001438992084 891259874 /nfs/dbraw/zinc/25/98/74/891259874.db2.gz HNENFVGZVQADCK-KOLCDFICSA-N 2 2 297.359 -1.457 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001438992089 891260019 /nfs/dbraw/zinc/26/00/19/891260019.db2.gz HNENFVGZVQADCK-ONGXEEELSA-N 2 2 297.359 -1.457 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001438992089 891260036 /nfs/dbraw/zinc/26/00/36/891260036.db2.gz HNENFVGZVQADCK-ONGXEEELSA-N 2 2 297.359 -1.457 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439045950 891274342 /nfs/dbraw/zinc/27/43/42/891274342.db2.gz IYOWCWIWIRPXRJ-NSHDSACASA-N 2 2 297.359 -1.835 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439049121 891278104 /nfs/dbraw/zinc/27/81/04/891278104.db2.gz RLKFVYRPBMDCTA-GXSJLCMTSA-N 2 2 297.359 -1.836 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001439198083 891292856 /nfs/dbraw/zinc/29/28/56/891292856.db2.gz VLAINDJMXICUSC-UWVGGRQHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001439198083 891292870 /nfs/dbraw/zinc/29/28/70/891292870.db2.gz VLAINDJMXICUSC-UWVGGRQHSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001439196941 891293392 /nfs/dbraw/zinc/29/33/92/891293392.db2.gz BWIRBMRMMDHGHC-WDEREUQCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001439196941 891293406 /nfs/dbraw/zinc/29/34/06/891293406.db2.gz BWIRBMRMMDHGHC-WDEREUQCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005394 891340185 /nfs/dbraw/zinc/34/01/85/891340185.db2.gz GRFZAFDWYKHEEX-GXFFZTMASA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005394 891340205 /nfs/dbraw/zinc/34/02/05/891340205.db2.gz GRFZAFDWYKHEEX-GXFFZTMASA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005393 891341058 /nfs/dbraw/zinc/34/10/58/891341058.db2.gz GRFZAFDWYKHEEX-GWCFXTLKSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440005393 891341076 /nfs/dbraw/zinc/34/10/76/891341076.db2.gz GRFZAFDWYKHEEX-GWCFXTLKSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017437 891342853 /nfs/dbraw/zinc/34/28/53/891342853.db2.gz QKHJWMURELIEHG-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017437 891342869 /nfs/dbraw/zinc/34/28/69/891342869.db2.gz QKHJWMURELIEHG-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001440017437 891342885 /nfs/dbraw/zinc/34/28/85/891342885.db2.gz QKHJWMURELIEHG-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001440017437 891342900 /nfs/dbraw/zinc/34/29/00/891342900.db2.gz QKHJWMURELIEHG-FZMZJTMJSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017446 891343669 /nfs/dbraw/zinc/34/36/69/891343669.db2.gz QKHJWMURELIEHG-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001440017446 891343689 /nfs/dbraw/zinc/34/36/89/891343689.db2.gz QKHJWMURELIEHG-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001440017446 891343706 /nfs/dbraw/zinc/34/37/06/891343706.db2.gz QKHJWMURELIEHG-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001440017446 891343711 /nfs/dbraw/zinc/34/37/11/891343711.db2.gz QKHJWMURELIEHG-SMDDNHRTSA-N 2 2 298.387 -1.634 20 0 CAADLP C[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCCO)C2)CC1 ZINC001440067672 891349796 /nfs/dbraw/zinc/34/97/96/891349796.db2.gz BLIVTQBJOBXGIF-UHFFFAOYSA-N 2 2 285.388 -1.127 20 0 CAADLP COC[C@H](O)C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440069552 891353807 /nfs/dbraw/zinc/35/38/07/891353807.db2.gz PSPVYLKALQEWFC-LLVKDONJSA-N 2 2 289.376 -1.892 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001441378576 891411212 /nfs/dbraw/zinc/41/12/12/891411212.db2.gz KRRSWYSEEAQLDD-MGCOHNPYSA-N 2 2 279.344 -1.068 20 0 CAADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001441415932 891414345 /nfs/dbraw/zinc/41/43/45/891414345.db2.gz LLFGUZYDXAMDGK-MGCOHNPYSA-N 2 2 279.344 -1.055 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001441712558 891436206 /nfs/dbraw/zinc/43/62/06/891436206.db2.gz DPCHDFJDRYZKPF-WDEREUQCSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001441712529 891436551 /nfs/dbraw/zinc/43/65/51/891436551.db2.gz DPCHDFJDRYZKPF-GHMZBOCLSA-N 2 2 282.344 -1.496 20 0 CAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CCO)no1 ZINC001441719695 891441057 /nfs/dbraw/zinc/44/10/57/891441057.db2.gz MEWJEKCTOUVMDT-VIFPVBQESA-N 2 2 286.332 -1.591 20 0 CAADLP C[C@H]([NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001441726666 891441294 /nfs/dbraw/zinc/44/12/94/891441294.db2.gz VHPOUNNKFDDUTQ-UWVGGRQHSA-N 2 2 283.332 -1.786 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001441753792 891444785 /nfs/dbraw/zinc/44/47/85/891444785.db2.gz WDEOHZXPAHQSPT-VIFPVBQESA-N 2 2 285.352 -2.272 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001441750871 891444921 /nfs/dbraw/zinc/44/49/21/891444921.db2.gz NDAMALDGUSPXKA-GHMZBOCLSA-N 2 2 295.343 -1.703 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780627 891450526 /nfs/dbraw/zinc/45/05/26/891450526.db2.gz FBQFJMKHLQOWKG-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780627 891450530 /nfs/dbraw/zinc/45/05/30/891450530.db2.gz FBQFJMKHLQOWKG-ZYHUDNBSSA-N 2 2 296.375 -1.260 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441783235 891451105 /nfs/dbraw/zinc/45/11/05/891451105.db2.gz BGZWRCXEOCXZCD-QWRGUYRKSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441783235 891451111 /nfs/dbraw/zinc/45/11/11/891451111.db2.gz BGZWRCXEOCXZCD-QWRGUYRKSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441783233 891451162 /nfs/dbraw/zinc/45/11/62/891451162.db2.gz BGZWRCXEOCXZCD-MNOVXSKESA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441783233 891451166 /nfs/dbraw/zinc/45/11/66/891451166.db2.gz BGZWRCXEOCXZCD-MNOVXSKESA-N 2 2 296.375 -1.667 20 0 CAADLP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001441781637 891452275 /nfs/dbraw/zinc/45/22/75/891452275.db2.gz GBCZOVMLUAXNAD-UWVGGRQHSA-N 2 2 297.359 -1.836 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780623 891452387 /nfs/dbraw/zinc/45/23/87/891452387.db2.gz FBQFJMKHLQOWKG-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cn(C)nn1 ZINC001441780623 891452393 /nfs/dbraw/zinc/45/23/93/891452393.db2.gz FBQFJMKHLQOWKG-PWSUYJOCSA-N 2 2 296.375 -1.260 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441783236 891452524 /nfs/dbraw/zinc/45/25/24/891452524.db2.gz BGZWRCXEOCXZCD-WDEREUQCSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1cnnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441783236 891452529 /nfs/dbraw/zinc/45/25/29/891452529.db2.gz BGZWRCXEOCXZCD-WDEREUQCSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441791064 891454630 /nfs/dbraw/zinc/45/46/30/891454630.db2.gz KSGQWHWSIWBLAB-JTQLQIEISA-N 2 2 297.363 -2.127 20 0 CAADLP CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001442008942 891475062 /nfs/dbraw/zinc/47/50/62/891475062.db2.gz BOBBHMBJFWAIQW-GHMZBOCLSA-N 2 2 297.359 -1.375 20 0 CAADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442374641 891490356 /nfs/dbraw/zinc/49/03/56/891490356.db2.gz LLVFFDNWEDZFEY-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001442374641 891490369 /nfs/dbraw/zinc/49/03/69/891490369.db2.gz LLVFFDNWEDZFEY-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001442374641 891490379 /nfs/dbraw/zinc/49/03/79/891490379.db2.gz LLVFFDNWEDZFEY-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001442374641 891490387 /nfs/dbraw/zinc/49/03/87/891490387.db2.gz LLVFFDNWEDZFEY-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001442599194 891500871 /nfs/dbraw/zinc/50/08/71/891500871.db2.gz MCXZNQXACCBMIJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)[C@@H](C)C(N)=O)C1 ZINC001442599194 891500880 /nfs/dbraw/zinc/50/08/80/891500880.db2.gz MCXZNQXACCBMIJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001442599194 891500885 /nfs/dbraw/zinc/50/08/85/891500885.db2.gz MCXZNQXACCBMIJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001442599194 891500896 /nfs/dbraw/zinc/50/08/96/891500896.db2.gz MCXZNQXACCBMIJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001443562394 891530195 /nfs/dbraw/zinc/53/01/95/891530195.db2.gz ZZIPFBFFIRWYJB-LBPRGKRZSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC(OCC(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001443621848 891534624 /nfs/dbraw/zinc/53/46/24/891534624.db2.gz KIFLAKLGOYFXJU-UHFFFAOYSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444697861 891587048 /nfs/dbraw/zinc/58/70/48/891587048.db2.gz ZYPIKBBKXLHTJB-QMMMGPOBSA-N 2 2 296.331 -1.416 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001445145580 891602205 /nfs/dbraw/zinc/60/22/05/891602205.db2.gz CYPOPRJKGRPZBB-QWRGUYRKSA-N 2 2 283.332 -1.270 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001445145580 891602211 /nfs/dbraw/zinc/60/22/11/891602211.db2.gz CYPOPRJKGRPZBB-QWRGUYRKSA-N 2 2 283.332 -1.270 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445216159 891618051 /nfs/dbraw/zinc/61/80/51/891618051.db2.gz ZKDJTIRSNKYEBK-QWRGUYRKSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445216159 891618056 /nfs/dbraw/zinc/61/80/56/891618056.db2.gz ZKDJTIRSNKYEBK-QWRGUYRKSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445215585 891618435 /nfs/dbraw/zinc/61/84/35/891618435.db2.gz ZKDJTIRSNKYEBK-GHMZBOCLSA-N 2 2 295.343 -1.703 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445215585 891618440 /nfs/dbraw/zinc/61/84/40/891618440.db2.gz ZKDJTIRSNKYEBK-GHMZBOCLSA-N 2 2 295.343 -1.703 20 0 CAADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001445248033 891623531 /nfs/dbraw/zinc/62/35/31/891623531.db2.gz HNLIAHPCNQHFNQ-NXEZZACHSA-N 2 2 283.332 -1.614 20 0 CAADLP O=C(C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1)NC1CC1 ZINC001445255318 891625423 /nfs/dbraw/zinc/62/54/23/891625423.db2.gz OBIFDKAXTRNIGZ-LLVKDONJSA-N 2 2 295.343 -1.703 20 0 CAADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001445248043 891626037 /nfs/dbraw/zinc/62/60/37/891626037.db2.gz HNLIAHPCNQHFNQ-VHSXEESVSA-N 2 2 283.332 -1.614 20 0 CAADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445305895 891628256 /nfs/dbraw/zinc/62/82/56/891628256.db2.gz LAQDDTBMEXIFON-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445305895 891628265 /nfs/dbraw/zinc/62/82/65/891628265.db2.gz LAQDDTBMEXIFON-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445357631 891634222 /nfs/dbraw/zinc/63/42/22/891634222.db2.gz VLAINDJMXICUSC-ZJUUUORDSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445357631 891634227 /nfs/dbraw/zinc/63/42/27/891634227.db2.gz VLAINDJMXICUSC-ZJUUUORDSA-N 2 2 296.375 -1.203 20 0 CAADLP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001445472374 891638021 /nfs/dbraw/zinc/63/80/21/891638021.db2.gz HWESWEYYRDZDKS-MRVPVSSYSA-N 2 2 296.331 -1.748 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001446780788 891690848 /nfs/dbraw/zinc/69/08/48/891690848.db2.gz BNHTUHIVNXLJQG-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001446780788 891690859 /nfs/dbraw/zinc/69/08/59/891690859.db2.gz BNHTUHIVNXLJQG-CYBMUJFWSA-N 2 2 282.344 -1.112 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446808615 891694523 /nfs/dbraw/zinc/69/45/23/891694523.db2.gz UXXRMKCJFXYCMJ-CYBMUJFWSA-N 2 2 282.344 -1.492 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446808615 891694529 /nfs/dbraw/zinc/69/45/29/891694529.db2.gz UXXRMKCJFXYCMJ-CYBMUJFWSA-N 2 2 282.344 -1.492 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446865810 891699436 /nfs/dbraw/zinc/69/94/36/891699436.db2.gz LGPYNJXTKPKUFQ-LLVKDONJSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001446865811 891701056 /nfs/dbraw/zinc/70/10/56/891701056.db2.gz LGPYNJXTKPKUFQ-NSHDSACASA-N 2 2 285.388 -1.128 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001447050149 891709379 /nfs/dbraw/zinc/70/93/79/891709379.db2.gz FHVSYTWWVHIJAK-SNVBAGLBSA-N 2 2 297.359 -1.503 20 0 CAADLP NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001447440678 891726059 /nfs/dbraw/zinc/72/60/59/891726059.db2.gz FIUYEZORWOZVAZ-ZDUSSCGKSA-N 2 2 295.343 -1.619 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001447480089 891727889 /nfs/dbraw/zinc/72/78/89/891727889.db2.gz YVOJUAPBWGZFII-AWEZNQCLSA-N 2 2 296.371 -1.102 20 0 CAADLP NC(=O)C[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001447595924 891731818 /nfs/dbraw/zinc/73/18/18/891731818.db2.gz BRIRVSFIGONPMR-UHFFFAOYSA-N 2 2 295.343 -1.619 20 0 CAADLP NC(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001447622518 891734081 /nfs/dbraw/zinc/73/40/81/891734081.db2.gz MKFPDXPNIRVFQV-UHFFFAOYSA-N 2 2 295.343 -1.689 20 0 CAADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001448902778 891806399 /nfs/dbraw/zinc/80/63/99/891806399.db2.gz FPURUKBVBAXEGD-VHSXEESVSA-N 2 2 283.332 -1.614 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448923873 891812693 /nfs/dbraw/zinc/81/26/93/891812693.db2.gz LZKRTPNHSPWJMO-ONGXEEELSA-N 2 2 270.333 -1.353 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448923873 891812699 /nfs/dbraw/zinc/81/26/99/891812699.db2.gz LZKRTPNHSPWJMO-ONGXEEELSA-N 2 2 270.333 -1.353 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001448952693 891814426 /nfs/dbraw/zinc/81/44/26/891814426.db2.gz OOABDGHREDBRFZ-MNOVXSKESA-N 2 2 277.340 -1.257 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCF)C1 ZINC001448952693 891814441 /nfs/dbraw/zinc/81/44/41/891814441.db2.gz OOABDGHREDBRFZ-MNOVXSKESA-N 2 2 277.340 -1.257 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001449166547 891839641 /nfs/dbraw/zinc/83/96/41/891839641.db2.gz XLJIIABMKIFPCW-KOLCDFICSA-N 2 2 297.359 -1.755 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001451518086 891917477 /nfs/dbraw/zinc/91/74/77/891917477.db2.gz GSXCAGBMGXWVRX-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001458013258 892116436 /nfs/dbraw/zinc/11/64/36/892116436.db2.gz IZPFRNZJUWYWIT-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP C[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)N1CC[NH+](C)CC1 ZINC001461178333 892157355 /nfs/dbraw/zinc/15/73/55/892157355.db2.gz MFPVNGQSESOTPO-LLVKDONJSA-N 2 2 295.391 -1.511 20 0 CAADLP C[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)N1CC[NH+](C)CC1 ZINC001461178355 892157622 /nfs/dbraw/zinc/15/76/22/892157622.db2.gz MFPVNGQSESOTPO-NSHDSACASA-N 2 2 295.391 -1.511 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001479418342 892476171 /nfs/dbraw/zinc/47/61/71/892476171.db2.gz GZPYFCRPKIRVAZ-MGCOHNPYSA-N 2 2 265.317 -1.147 20 0 CAADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(N)=O ZINC001479817283 892486955 /nfs/dbraw/zinc/48/69/55/892486955.db2.gz QTLSYBVTIRVYDU-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(N)=O ZINC001479817283 892486959 /nfs/dbraw/zinc/48/69/59/892486959.db2.gz QTLSYBVTIRVYDU-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001480674245 892541543 /nfs/dbraw/zinc/54/15/43/892541543.db2.gz MKYSZDGBXCQRLG-JTQLQIEISA-N 2 2 279.344 -1.114 20 0 CAADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851711 892548654 /nfs/dbraw/zinc/54/86/54/892548654.db2.gz FCRWISMJJYUGOY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851711 892548657 /nfs/dbraw/zinc/54/86/57/892548657.db2.gz FCRWISMJJYUGOY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851711 892548661 /nfs/dbraw/zinc/54/86/61/892548661.db2.gz FCRWISMJJYUGOY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCNC1=O ZINC001480851711 892548666 /nfs/dbraw/zinc/54/86/66/892548666.db2.gz FCRWISMJJYUGOY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC001480908123 892557957 /nfs/dbraw/zinc/55/79/57/892557957.db2.gz PBJFMQJRECVXAG-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC001480908123 892557964 /nfs/dbraw/zinc/55/79/64/892557964.db2.gz PBJFMQJRECVXAG-UHFFFAOYSA-N 2 2 299.375 -1.429 20 0 CAADLP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1nc(=O)n(C)[nH]1 ZINC001480997843 892569018 /nfs/dbraw/zinc/56/90/18/892569018.db2.gz NFTXLDILEXHZKK-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1nc(=O)n(C)[nH]1 ZINC001480997843 892569027 /nfs/dbraw/zinc/56/90/27/892569027.db2.gz NFTXLDILEXHZKK-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CC(N)=O ZINC001481019134 892575105 /nfs/dbraw/zinc/57/51/05/892575105.db2.gz XJHMGDNZROHLLN-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CC(N)=O ZINC001481019134 892575114 /nfs/dbraw/zinc/57/51/14/892575114.db2.gz XJHMGDNZROHLLN-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)CC(N)=O ZINC001481019134 892575127 /nfs/dbraw/zinc/57/51/27/892575127.db2.gz XJHMGDNZROHLLN-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)CC(N)=O ZINC001481019134 892575132 /nfs/dbraw/zinc/57/51/32/892575132.db2.gz XJHMGDNZROHLLN-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001481261611 892589488 /nfs/dbraw/zinc/58/94/88/892589488.db2.gz NVFPSGMPQARRPB-UHFFFAOYSA-N 2 2 267.333 -1.114 20 0 CAADLP CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CCC[NH+](C)C ZINC001481272394 892595455 /nfs/dbraw/zinc/59/54/55/892595455.db2.gz FQQJMNALNGKQOP-UHFFFAOYSA-N 2 2 298.391 -1.002 20 0 CAADLP COC[C@H](O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001481322689 892598611 /nfs/dbraw/zinc/59/86/11/892598611.db2.gz JRHDGUVFDJRRQV-LLVKDONJSA-N 2 2 270.333 -1.062 20 0 CAADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001481303992 892598772 /nfs/dbraw/zinc/59/87/72/892598772.db2.gz FDTZWWVQJIFMFZ-LLVKDONJSA-N 2 2 279.344 -1.101 20 0 CAADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001481669715 892620353 /nfs/dbraw/zinc/62/03/53/892620353.db2.gz RUKHUPSRWBPHPT-UHFFFAOYSA-N 2 2 299.375 -1.431 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001481669715 892620356 /nfs/dbraw/zinc/62/03/56/892620356.db2.gz RUKHUPSRWBPHPT-UHFFFAOYSA-N 2 2 299.375 -1.431 20 0 CAADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(N)=O)c[nH+]1 ZINC001482740520 892682177 /nfs/dbraw/zinc/68/21/77/892682177.db2.gz AZPYBPOLVNVXJC-SNVBAGLBSA-N 2 2 297.359 -1.521 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001482743889 892682356 /nfs/dbraw/zinc/68/23/56/892682356.db2.gz LHRMWGSPWCHTOE-WDEREUQCSA-N 2 2 282.344 -1.496 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482743795 892682723 /nfs/dbraw/zinc/68/27/23/892682723.db2.gz JMFRMTPUFVVPBU-VXGBXAGGSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001482743888 892682912 /nfs/dbraw/zinc/68/29/12/892682912.db2.gz LHRMWGSPWCHTOE-QWRGUYRKSA-N 2 2 282.344 -1.496 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482740746 892683016 /nfs/dbraw/zinc/68/30/16/892683016.db2.gz CLQUMSGZAUMNTD-VIFPVBQESA-N 2 2 291.311 -1.272 20 0 CAADLP O=C(NC[C@H](O)C[NH2+]CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482743886 892683067 /nfs/dbraw/zinc/68/30/67/892683067.db2.gz LHRMWGSPWCHTOE-GHMZBOCLSA-N 2 2 282.344 -1.496 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001482785445 892701212 /nfs/dbraw/zinc/70/12/12/892701212.db2.gz JBVAOLCTGZWBHS-VIFPVBQESA-N 2 2 269.305 -2.485 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001482788989 892706159 /nfs/dbraw/zinc/70/61/59/892706159.db2.gz RMWGZTMUQUAKRP-DTWKUNHWSA-N 2 2 283.332 -1.799 20 0 CAADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001482791970 892706830 /nfs/dbraw/zinc/70/68/30/892706830.db2.gz FTOJCUWINLKWQB-NSHDSACASA-N 2 2 296.375 -1.224 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482798340 892710253 /nfs/dbraw/zinc/71/02/53/892710253.db2.gz BZECDZMHPMODSQ-JTQLQIEISA-N 2 2 283.332 -1.962 20 0 CAADLP NC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001483100429 892730033 /nfs/dbraw/zinc/73/00/33/892730033.db2.gz HCBWHBGJTXUTJK-OWOJBTEDSA-N 2 2 294.315 -1.660 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424299 892765239 /nfs/dbraw/zinc/76/52/39/892765239.db2.gz POBIEKGXBKVDOJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CC(N)=O)C1 ZINC001483424299 892765246 /nfs/dbraw/zinc/76/52/46/892765246.db2.gz POBIEKGXBKVDOJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)C1 ZINC001483424299 892765249 /nfs/dbraw/zinc/76/52/49/892765249.db2.gz POBIEKGXBKVDOJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)C1 ZINC001483424299 892765255 /nfs/dbraw/zinc/76/52/55/892765255.db2.gz POBIEKGXBKVDOJ-QWRGUYRKSA-N 2 2 286.376 -1.371 20 0 CAADLP O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)CC[NH2+]CCO ZINC001484488460 892866669 /nfs/dbraw/zinc/86/66/69/892866669.db2.gz ZBDNZWCWEOBFDX-LBPRGKRZSA-N 2 2 296.371 -1.152 20 0 CAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001484502121 892871039 /nfs/dbraw/zinc/87/10/39/892871039.db2.gz RBSUUAYKBUOVRS-LLVKDONJSA-N 2 2 295.343 -1.818 20 0 CAADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001484502122 892872582 /nfs/dbraw/zinc/87/25/82/892872582.db2.gz RBSUUAYKBUOVRS-NSHDSACASA-N 2 2 295.343 -1.818 20 0 CAADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485701318 892943725 /nfs/dbraw/zinc/94/37/25/892943725.db2.gz YRUFELJFKUIPBG-KYZUINATSA-N 2 2 265.317 -1.078 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486005395 892979836 /nfs/dbraw/zinc/97/98/36/892979836.db2.gz UKUFTDNAFIDRGJ-HBNTYKKESA-N 2 2 282.344 -1.038 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486005395 892979851 /nfs/dbraw/zinc/97/98/51/892979851.db2.gz UKUFTDNAFIDRGJ-HBNTYKKESA-N 2 2 282.344 -1.038 20 0 CAADLP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001486011061 892984300 /nfs/dbraw/zinc/98/43/00/892984300.db2.gz PPZQTAPVYRTSGM-QWRGUYRKSA-N 2 2 282.344 -1.496 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001486057506 893000410 /nfs/dbraw/zinc/00/04/10/893000410.db2.gz LRAKHEHUZBJFFM-SNVBAGLBSA-N 2 2 270.333 -1.588 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC001486055086 893001352 /nfs/dbraw/zinc/00/13/52/893001352.db2.gz CCXCZGHPLMUDFL-SCZZXKLOSA-N 2 2 270.333 -1.292 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001486061306 893007162 /nfs/dbraw/zinc/00/71/62/893007162.db2.gz KXTPEFYFWVESLY-JQWIXIFHSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001486061306 893007181 /nfs/dbraw/zinc/00/71/81/893007181.db2.gz KXTPEFYFWVESLY-JQWIXIFHSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001486061308 893007538 /nfs/dbraw/zinc/00/75/38/893007538.db2.gz KXTPEFYFWVESLY-ZYHUDNBSSA-N 2 2 296.375 -1.667 20 0 CAADLP Cn1ncc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001486061308 893007558 /nfs/dbraw/zinc/00/75/58/893007558.db2.gz KXTPEFYFWVESLY-ZYHUDNBSSA-N 2 2 296.375 -1.667 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001486065739 893008877 /nfs/dbraw/zinc/00/88/77/893008877.db2.gz LONAHHZXIJTUCH-GFCCVEGCSA-N 2 2 292.343 -1.154 20 0 CAADLP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001486289515 893041685 /nfs/dbraw/zinc/04/16/85/893041685.db2.gz BZHCZURBSKXIFD-SNVBAGLBSA-N 2 2 297.359 -1.753 20 0 CAADLP CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001486307227 893044522 /nfs/dbraw/zinc/04/45/22/893044522.db2.gz OLNCTVZBIKIGGE-ZJUUUORDSA-N 2 2 297.359 -1.375 20 0 CAADLP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001486320552 893054566 /nfs/dbraw/zinc/05/45/66/893054566.db2.gz VCTAHKZONQLYLP-UWVGGRQHSA-N 2 2 283.332 -1.834 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001488078173 893141306 /nfs/dbraw/zinc/14/13/06/893141306.db2.gz PHVXZPYDFARDJP-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC001488086140 893145397 /nfs/dbraw/zinc/14/53/97/893145397.db2.gz XQMZLGLYXGIFRG-NSHDSACASA-N 2 2 297.359 -1.572 20 0 CAADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001488860845 893171807 /nfs/dbraw/zinc/17/18/07/893171807.db2.gz NINLYNXTFNHWEL-KYZUINATSA-N 2 2 265.317 -1.078 20 0 CAADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491065951 893233067 /nfs/dbraw/zinc/23/30/67/893233067.db2.gz NTHBIGIEDHGQCQ-DTORHVGOSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001491567189 893294965 /nfs/dbraw/zinc/29/49/65/893294965.db2.gz DGVPEEQDBCCCHH-SECBINFHSA-N 2 2 284.364 -1.346 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001491590119 893298195 /nfs/dbraw/zinc/29/81/95/893298195.db2.gz MGSILTYUSVBJMQ-HTQZYQBOSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001491590126 893300311 /nfs/dbraw/zinc/30/03/11/893300311.db2.gz MGSILTYUSVBJMQ-YUMQZZPRSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492220193 893332725 /nfs/dbraw/zinc/33/27/25/893332725.db2.gz FOKDWXPAFJQTSO-VHSXEESVSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492220193 893332742 /nfs/dbraw/zinc/33/27/42/893332742.db2.gz FOKDWXPAFJQTSO-VHSXEESVSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492220193 893332755 /nfs/dbraw/zinc/33/27/55/893332755.db2.gz FOKDWXPAFJQTSO-VHSXEESVSA-N 2 2 272.349 -1.761 20 0 CAADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492220193 893332772 /nfs/dbraw/zinc/33/27/72/893332772.db2.gz FOKDWXPAFJQTSO-VHSXEESVSA-N 2 2 272.349 -1.761 20 0 CAADLP CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)C[NH+]1CCCC1 ZINC001493793977 893417844 /nfs/dbraw/zinc/41/78/44/893417844.db2.gz QEBMXWWNDUQKEV-UHFFFAOYSA-N 2 2 296.375 -1.248 20 0 CAADLP CC[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001494614068 893451623 /nfs/dbraw/zinc/45/16/23/893451623.db2.gz CFYIXZAWQNEXCB-JTQLQIEISA-N 2 2 256.350 -1.140 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nnnn1C ZINC001495813417 893492165 /nfs/dbraw/zinc/49/21/65/893492165.db2.gz LQSAJRRWKYPNIE-JTQLQIEISA-N 2 2 292.347 -1.051 20 0 CAADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496207132 893513522 /nfs/dbraw/zinc/51/35/22/893513522.db2.gz NMQYEOGMVBJSBK-SECBINFHSA-N 2 2 267.333 -1.116 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961075 893563684 /nfs/dbraw/zinc/56/36/84/893563684.db2.gz MFNXZHDUKASNSO-NWDGAFQWSA-N 2 2 298.343 -1.428 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961075 893563703 /nfs/dbraw/zinc/56/37/03/893563703.db2.gz MFNXZHDUKASNSO-NWDGAFQWSA-N 2 2 298.343 -1.428 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961077 893564199 /nfs/dbraw/zinc/56/41/99/893564199.db2.gz MFNXZHDUKASNSO-RYUDHWBXSA-N 2 2 298.343 -1.428 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccon2)C1 ZINC001496961077 893564218 /nfs/dbraw/zinc/56/42/18/893564218.db2.gz MFNXZHDUKASNSO-RYUDHWBXSA-N 2 2 298.343 -1.428 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001496990212 893571588 /nfs/dbraw/zinc/57/15/88/893571588.db2.gz KSFISYITEBIKGB-SCZZXKLOSA-N 2 2 283.332 -1.717 20 0 CAADLP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001496990212 893571606 /nfs/dbraw/zinc/57/16/06/893571606.db2.gz KSFISYITEBIKGB-SCZZXKLOSA-N 2 2 283.332 -1.717 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001496990211 893574676 /nfs/dbraw/zinc/57/46/76/893574676.db2.gz KSFISYITEBIKGB-PSASIEDQSA-N 2 2 283.332 -1.717 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001496990211 893574683 /nfs/dbraw/zinc/57/46/83/893574683.db2.gz KSFISYITEBIKGB-PSASIEDQSA-N 2 2 283.332 -1.717 20 0 CAADLP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497009961 893582084 /nfs/dbraw/zinc/58/20/84/893582084.db2.gz JMCKSLOQIYJYPD-ONGXEEELSA-N 2 2 295.343 -2.003 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497009960 893582452 /nfs/dbraw/zinc/58/24/52/893582452.db2.gz JMCKSLOQIYJYPD-MWLCHTKSSA-N 2 2 295.343 -2.003 20 0 CAADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001497027391 893585557 /nfs/dbraw/zinc/58/55/57/893585557.db2.gz DUROEBPVZPYSPQ-WDEREUQCSA-N 2 2 297.359 -1.526 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001497027388 893586323 /nfs/dbraw/zinc/58/63/23/893586323.db2.gz DUROEBPVZPYSPQ-GHMZBOCLSA-N 2 2 297.359 -1.526 20 0 CAADLP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497064268 893596347 /nfs/dbraw/zinc/59/63/47/893596347.db2.gz MYYAKVNRJRWJCZ-JTQLQIEISA-N 2 2 283.332 -1.845 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001497067397 893596396 /nfs/dbraw/zinc/59/63/96/893596396.db2.gz GBXOYFASNAXWEO-WPRPVWTQSA-N 2 2 283.332 -1.860 20 0 CAADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001497067397 893596410 /nfs/dbraw/zinc/59/64/10/893596410.db2.gz GBXOYFASNAXWEO-WPRPVWTQSA-N 2 2 283.332 -1.860 20 0 CAADLP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497064276 893597632 /nfs/dbraw/zinc/59/76/32/893597632.db2.gz MYYAKVNRJRWJCZ-SNVBAGLBSA-N 2 2 283.332 -1.845 20 0 CAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497065232 893599214 /nfs/dbraw/zinc/59/92/14/893599214.db2.gz TUIQNDUEJHMXPK-NSHDSACASA-N 2 2 297.359 -1.503 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001497082038 893601160 /nfs/dbraw/zinc/60/11/60/893601160.db2.gz VMRCGDAJSQNIBY-JTQLQIEISA-N 2 2 295.343 -1.749 20 0 CAADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497082422 893601746 /nfs/dbraw/zinc/60/17/46/893601746.db2.gz XSKZAWRVLRWDQX-RKDXNWHRSA-N 2 2 256.306 -1.600 20 0 CAADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497082418 893601993 /nfs/dbraw/zinc/60/19/93/893601993.db2.gz XSKZAWRVLRWDQX-DTWKUNHWSA-N 2 2 256.306 -1.600 20 0 CAADLP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497079814 893602295 /nfs/dbraw/zinc/60/22/95/893602295.db2.gz GASIRIWRPXJHFT-SECBINFHSA-N 2 2 283.332 -1.893 20 0 CAADLP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497080598 893602636 /nfs/dbraw/zinc/60/26/36/893602636.db2.gz NHEUDDDHRATWQX-JTQLQIEISA-N 2 2 297.359 -1.503 20 0 CAADLP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497128439 893607432 /nfs/dbraw/zinc/60/74/32/893607432.db2.gz ZWUQSCNQCLVEQR-QWRGUYRKSA-N 2 2 270.333 -1.015 20 0 CAADLP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001497126709 893608073 /nfs/dbraw/zinc/60/80/73/893608073.db2.gz OVKDBZHOEVCBAC-RKDXNWHRSA-N 2 2 269.305 -2.176 20 0 CAADLP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497128438 893608426 /nfs/dbraw/zinc/60/84/26/893608426.db2.gz ZWUQSCNQCLVEQR-MNOVXSKESA-N 2 2 270.333 -1.015 20 0 CAADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497126299 893608630 /nfs/dbraw/zinc/60/86/30/893608630.db2.gz LTJJSHTVVVSVHW-LLVKDONJSA-N 2 2 297.359 -1.572 20 0 CAADLP C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001497126706 893609242 /nfs/dbraw/zinc/60/92/42/893609242.db2.gz OVKDBZHOEVCBAC-DTWKUNHWSA-N 2 2 269.305 -2.176 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497798710 893634365 /nfs/dbraw/zinc/63/43/65/893634365.db2.gz GBEBXLMSSOGFPH-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497798710 893634374 /nfs/dbraw/zinc/63/43/74/893634374.db2.gz GBEBXLMSSOGFPH-GHMZBOCLSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498025419 893648389 /nfs/dbraw/zinc/64/83/89/893648389.db2.gz GBEBXLMSSOGFPH-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498025419 893648400 /nfs/dbraw/zinc/64/84/00/893648400.db2.gz GBEBXLMSSOGFPH-WDEREUQCSA-N 2 2 286.376 -1.501 20 0 CAADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498148921 893661047 /nfs/dbraw/zinc/66/10/47/893661047.db2.gz XJWHOQSLSPWDEO-YUMQZZPRSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001498207126 893665153 /nfs/dbraw/zinc/66/51/53/893665153.db2.gz KMCBLFKEZIUBIO-QMMMGPOBSA-N 2 2 282.304 -1.828 20 0 CAADLP C[C@@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001498401077 893680017 /nfs/dbraw/zinc/68/00/17/893680017.db2.gz WASZYBOBHKTGNT-JTQLQIEISA-N 2 2 298.391 -1.003 20 0 CAADLP C[C@@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001498401077 893680022 /nfs/dbraw/zinc/68/00/22/893680022.db2.gz WASZYBOBHKTGNT-JTQLQIEISA-N 2 2 298.391 -1.003 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1CCO ZINC001499082168 893705647 /nfs/dbraw/zinc/70/56/47/893705647.db2.gz PJGXNWAMMMGMRP-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1CCO ZINC001499082168 893705655 /nfs/dbraw/zinc/70/56/55/893705655.db2.gz PJGXNWAMMMGMRP-LBPRGKRZSA-N 2 2 271.361 -1.109 20 0 CAADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001500692733 893746764 /nfs/dbraw/zinc/74/67/64/893746764.db2.gz LCNNQIRUIHVYKE-RISCZKNCSA-N 2 2 298.387 -1.491 20 0 CAADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001500692733 893746774 /nfs/dbraw/zinc/74/67/74/893746774.db2.gz LCNNQIRUIHVYKE-RISCZKNCSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001500692733 893746782 /nfs/dbraw/zinc/74/67/82/893746782.db2.gz LCNNQIRUIHVYKE-RISCZKNCSA-N 2 2 298.387 -1.491 20 0 CAADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001500692733 893746791 /nfs/dbraw/zinc/74/67/91/893746791.db2.gz LCNNQIRUIHVYKE-RISCZKNCSA-N 2 2 298.387 -1.491 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001500837525 893766390 /nfs/dbraw/zinc/76/63/90/893766390.db2.gz XTYFKJSEZIVXIR-IJLUTSLNSA-N 2 2 285.388 -1.130 20 0 CAADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500837525 893766405 /nfs/dbraw/zinc/76/64/05/893766405.db2.gz XTYFKJSEZIVXIR-IJLUTSLNSA-N 2 2 285.388 -1.130 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+]CCO ZINC001501506146 893814487 /nfs/dbraw/zinc/81/44/87/893814487.db2.gz NGKMKZIHGZSPNP-UHFFFAOYSA-N 2 2 270.333 -1.635 20 0 CAADLP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](CC(N)=O)C1 ZINC001506649785 893936301 /nfs/dbraw/zinc/93/63/01/893936301.db2.gz KIAHDUXBVQHOQZ-SECBINFHSA-N 2 2 256.350 -1.140 20 0 CAADLP NC(=O)C[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507202953 893992465 /nfs/dbraw/zinc/99/24/65/893992465.db2.gz PTVHCUOQVJDGNW-SECBINFHSA-N 2 2 291.311 -1.272 20 0 CAADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507219747 894001327 /nfs/dbraw/zinc/00/13/27/894001327.db2.gz FXQBGLZWQIIDET-WDEREUQCSA-N 2 2 270.333 -1.279 20 0 CAADLP Cn1ncnc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001507230694 894008990 /nfs/dbraw/zinc/00/89/90/894008990.db2.gz COXISCMUSCKNJF-SNVBAGLBSA-N 2 2 284.364 -1.667 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001507242065 894016250 /nfs/dbraw/zinc/01/62/50/894016250.db2.gz VQNNNTQFPORTDK-IVZWLZJFSA-N 2 2 295.343 -1.924 20 0 CAADLP COCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001507252343 894029298 /nfs/dbraw/zinc/02/92/98/894029298.db2.gz JFFRUOGBXLNKBP-SNVBAGLBSA-N 2 2 270.333 -1.324 20 0 CAADLP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507267939 894032591 /nfs/dbraw/zinc/03/25/91/894032591.db2.gz QVUAHLHKNRHKHI-LLVKDONJSA-N 2 2 292.343 -1.117 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001507266971 894035436 /nfs/dbraw/zinc/03/54/36/894035436.db2.gz JWCNQXRIUWFCBG-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CN(C)CC[N@@H+]1C ZINC001515355951 894185709 /nfs/dbraw/zinc/18/57/09/894185709.db2.gz AALIYUVOLSSJJG-YNEHKIRRSA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1CN(C)CC[N@H+]1C ZINC001515355951 894185718 /nfs/dbraw/zinc/18/57/18/894185718.db2.gz AALIYUVOLSSJJG-YNEHKIRRSA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CN(C)CC[N@@H+]1C ZINC001515355944 894186087 /nfs/dbraw/zinc/18/60/87/894186087.db2.gz AALIYUVOLSSJJG-RWMBFGLXSA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1CN(C)CC[N@H+]1C ZINC001515355944 894186099 /nfs/dbraw/zinc/18/60/99/894186099.db2.gz AALIYUVOLSSJJG-RWMBFGLXSA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515355946 894186742 /nfs/dbraw/zinc/18/67/42/894186742.db2.gz AALIYUVOLSSJJG-XQQFMLRXSA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1CN(C)CC[N@H+]1C ZINC001515355946 894186753 /nfs/dbraw/zinc/18/67/53/894186753.db2.gz AALIYUVOLSSJJG-XQQFMLRXSA-N 2 2 283.420 -1.360 20 0 CAADLP C[C@H](NC(=O)C[C@@H](O)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001521477540 894209456 /nfs/dbraw/zinc/20/94/56/894209456.db2.gz RXQZGVMOMVVANK-GARJFASQSA-N 2 2 259.350 -1.079 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001522101641 894217469 /nfs/dbraw/zinc/21/74/69/894217469.db2.gz PXHKJJROCMRGIK-CDLYGTGVSA-N 2 2 250.302 -1.028 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001522638349 894243095 /nfs/dbraw/zinc/24/30/95/894243095.db2.gz FYDTZZJIUZAFFF-GDNZZTSVSA-N 3 2 252.362 -1.009 20 0 CAADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](O)C[NH3+] ZINC001522771733 894252947 /nfs/dbraw/zinc/25/29/47/894252947.db2.gz DHKYIVHSJUTGAA-QWRGUYRKSA-N 2 2 259.350 -1.077 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548554508 894486391 /nfs/dbraw/zinc/48/63/91/894486391.db2.gz VSYMGQCAHGAPFK-VXGBXAGGSA-N 2 2 270.377 -1.273 20 0 CAADLP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001548568520 894489155 /nfs/dbraw/zinc/48/91/55/894489155.db2.gz HPWRTNRUZWOCCJ-STQMWFEESA-N 2 2 282.388 -1.177 20 0 CAADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623704 894489318 /nfs/dbraw/zinc/48/93/18/894489318.db2.gz MOPYJSANZXKPQW-STQMWFEESA-N 2 2 282.388 -1.489 20 0 CAADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623704 894489324 /nfs/dbraw/zinc/48/93/24/894489324.db2.gz MOPYJSANZXKPQW-STQMWFEESA-N 2 2 282.388 -1.489 20 0 CAADLP CC1(C)CN(C(=O)CN2CC[NH2+]CC2=O)CC2(C[NH2+]C2)O1 ZINC001548575863 894489863 /nfs/dbraw/zinc/48/98/63/894489863.db2.gz MJLVIJWVEUSUNI-UHFFFAOYSA-N 2 2 296.371 -1.602 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623701 894490003 /nfs/dbraw/zinc/49/00/03/894490003.db2.gz MOPYJSANZXKPQW-CHWSQXEVSA-N 2 2 282.388 -1.489 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CCO)CC1 ZINC001548623701 894490007 /nfs/dbraw/zinc/49/00/07/894490007.db2.gz MOPYJSANZXKPQW-CHWSQXEVSA-N 2 2 282.388 -1.489 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574158 894490039 /nfs/dbraw/zinc/49/00/39/894490039.db2.gz AYBPBRBBEFEPNY-NSHDSACASA-N 2 2 284.360 -2.009 20 0 CAADLP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001548568518 894490049 /nfs/dbraw/zinc/49/00/49/894490049.db2.gz HPWRTNRUZWOCCJ-OLZOCXBDSA-N 2 2 282.388 -1.177 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548688645 894493418 /nfs/dbraw/zinc/49/34/18/894493418.db2.gz DYLBJGYSAVSHKA-RDBSUJKOSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548688645 894493430 /nfs/dbraw/zinc/49/34/30/894493430.db2.gz DYLBJGYSAVSHKA-RDBSUJKOSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548688642 894494928 /nfs/dbraw/zinc/49/49/28/894494928.db2.gz DYLBJGYSAVSHKA-HZSPNIEDSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548688642 894494933 /nfs/dbraw/zinc/49/49/33/894494933.db2.gz DYLBJGYSAVSHKA-HZSPNIEDSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001548716167 894497023 /nfs/dbraw/zinc/49/70/23/894497023.db2.gz IEXHKZVULJROKR-MGPQQGTHSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001548716167 894497033 /nfs/dbraw/zinc/49/70/33/894497033.db2.gz IEXHKZVULJROKR-MGPQQGTHSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548716167 894497042 /nfs/dbraw/zinc/49/70/42/894497042.db2.gz IEXHKZVULJROKR-MGPQQGTHSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548716167 894497047 /nfs/dbraw/zinc/49/70/47/894497047.db2.gz IEXHKZVULJROKR-MGPQQGTHSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001548716164 894497573 /nfs/dbraw/zinc/49/75/73/894497573.db2.gz IEXHKZVULJROKR-MCIONIFRSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001548716164 894497581 /nfs/dbraw/zinc/49/75/81/894497581.db2.gz IEXHKZVULJROKR-MCIONIFRSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548716164 894497589 /nfs/dbraw/zinc/49/75/89/894497589.db2.gz IEXHKZVULJROKR-MCIONIFRSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548716164 894497596 /nfs/dbraw/zinc/49/75/96/894497596.db2.gz IEXHKZVULJROKR-MCIONIFRSA-N 2 2 296.415 -1.100 20 0 CAADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)C[C@H]1CO ZINC001548730982 894499764 /nfs/dbraw/zinc/49/97/64/894499764.db2.gz UBVBOOMILAAXEV-AGIUHOORSA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)C[C@H]1CO ZINC001548730982 894499768 /nfs/dbraw/zinc/49/97/68/894499768.db2.gz UBVBOOMILAAXEV-AGIUHOORSA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001548730982 894499772 /nfs/dbraw/zinc/49/97/72/894499772.db2.gz UBVBOOMILAAXEV-AGIUHOORSA-N 2 2 282.388 -1.490 20 0 CAADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001548730982 894499775 /nfs/dbraw/zinc/49/97/75/894499775.db2.gz UBVBOOMILAAXEV-AGIUHOORSA-N 2 2 282.388 -1.490 20 0 CAADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC001549043872 894507687 /nfs/dbraw/zinc/50/76/87/894507687.db2.gz REHGZOHOTYUWCU-MNOVXSKESA-N 2 2 279.344 -1.119 20 0 CAADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC001549043874 894507856 /nfs/dbraw/zinc/50/78/56/894507856.db2.gz REHGZOHOTYUWCU-QWRGUYRKSA-N 2 2 279.344 -1.119 20 0 CAADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3OCC[C@H]3[NH3+])C2)CC1 ZINC001550115780 894529244 /nfs/dbraw/zinc/52/92/44/894529244.db2.gz FXEPSMFFNDMNCC-JHJVBQTASA-N 2 2 282.388 -1.049 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550084115 894529302 /nfs/dbraw/zinc/52/93/02/894529302.db2.gz HMZLYYITRBWIQT-NSHDSACASA-N 2 2 280.372 -1.076 20 0 CAADLP C[C@@H](C(=O)NC12CC(C[NH3+])(C1)C2)N1CC[NH2+]CC1=O ZINC001550118414 894531727 /nfs/dbraw/zinc/53/17/27/894531727.db2.gz VUKOHIKZFWOZKD-ALXWSUNGSA-N 2 2 266.345 -1.196 20 0 CAADLP C[C@H](C(=O)NC12CC(C[NH3+])(C1)C2)N1CC[NH2+]CC1=O ZINC001550118415 894532474 /nfs/dbraw/zinc/53/24/74/894532474.db2.gz VUKOHIKZFWOZKD-UHEGKEBESA-N 2 2 266.345 -1.196 20 0 CAADLP CO[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC001550192255 894533485 /nfs/dbraw/zinc/53/34/85/894533485.db2.gz FWQWVINTXCIQJC-VXGBXAGGSA-N 2 2 270.377 -1.192 20 0 CAADLP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)C1 ZINC001550192253 894533572 /nfs/dbraw/zinc/53/35/72/894533572.db2.gz FWQWVINTXCIQJC-RYUDHWBXSA-N 2 2 270.377 -1.192 20 0 CAADLP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC001550116743 894533589 /nfs/dbraw/zinc/53/35/89/894533589.db2.gz RJKGJUISIIWERY-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP O=C(N1CC[NH+](CCO)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202126 894547286 /nfs/dbraw/zinc/54/72/86/894547286.db2.gz ABKKKENQFRWWOI-DGCLKSJQSA-N 2 2 269.345 -1.641 20 0 CAADLP O=C(N1CC[NH+](CCO)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202128 894547539 /nfs/dbraw/zinc/54/75/39/894547539.db2.gz ABKKKENQFRWWOI-YPMHNXCESA-N 2 2 269.345 -1.641 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552203595 894551047 /nfs/dbraw/zinc/55/10/47/894551047.db2.gz GRMTVMDSDLJZFO-DMDPSCGWSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552203595 894551057 /nfs/dbraw/zinc/55/10/57/894551057.db2.gz GRMTVMDSDLJZFO-DMDPSCGWSA-N 2 2 269.345 -1.331 20 0 CAADLP O=C([C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC001553405009 894559066 /nfs/dbraw/zinc/55/90/66/894559066.db2.gz CLWQVVKVSPVFFO-GRYCIOLGSA-N 2 2 269.345 -1.358 20 0 CAADLP C[N@@H+]1CC[C@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@H]2C1 ZINC001553365959 894560152 /nfs/dbraw/zinc/56/01/52/894560152.db2.gz NUGDAYSGSFOPOR-XVKPBYJWSA-N 2 2 251.294 -1.321 20 0 CAADLP C[N@H+]1CC[C@]2(C(=O)Nc3nn[nH]n3)C[NH2+]C[C@H]2C1 ZINC001553365959 894560155 /nfs/dbraw/zinc/56/01/55/894560155.db2.gz NUGDAYSGSFOPOR-XVKPBYJWSA-N 2 2 251.294 -1.321 20 0 CAADLP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC001553405013 894561112 /nfs/dbraw/zinc/56/11/12/894561112.db2.gz CLWQVVKVSPVFFO-SRVKXCTJSA-N 2 2 269.345 -1.358 20 0 CAADLP [NH3+]CCNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553344749 894562281 /nfs/dbraw/zinc/56/22/81/894562281.db2.gz QZROTJKCLDAUKQ-GHMZBOCLSA-N 2 2 257.334 -1.059 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553408982 894564358 /nfs/dbraw/zinc/56/43/58/894564358.db2.gz KJZWGESVWXDDJK-RHYQMDGZSA-N 2 2 269.345 -1.047 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553408982 894564368 /nfs/dbraw/zinc/56/43/68/894564368.db2.gz KJZWGESVWXDDJK-RHYQMDGZSA-N 2 2 269.345 -1.047 20 0 CAADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)O1 ZINC000094565147 230166664 /nfs/dbraw/zinc/16/66/64/230166664.db2.gz RFQXXBRUMSQOMW-MNOVXSKESA-N 2 2 257.334 -1.371 20 0 CAADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000128889381 230175186 /nfs/dbraw/zinc/17/51/86/230175186.db2.gz SOFWMUZEYUWVKA-NSHDSACASA-N 2 2 257.334 -1.499 20 0 CAADLP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000128845342 230175542 /nfs/dbraw/zinc/17/55/42/230175542.db2.gz OMZVZDWHMGITGU-LLVKDONJSA-N 2 2 257.334 -1.187 20 0 CAADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000167696263 230186268 /nfs/dbraw/zinc/18/62/68/230186268.db2.gz ZTBUMDZHPJHEEA-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000248966818 230219260 /nfs/dbraw/zinc/21/92/60/230219260.db2.gz RXJLEWQIDPUKIY-NEPJUHHUSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000248966818 230219263 /nfs/dbraw/zinc/21/92/63/230219263.db2.gz RXJLEWQIDPUKIY-NEPJUHHUSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000261929429 230221633 /nfs/dbraw/zinc/22/16/33/230221633.db2.gz ZQTHNVRJQLWCMY-LBPRGKRZSA-N 2 2 254.334 -1.385 20 0 CAADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000261929429 230221639 /nfs/dbraw/zinc/22/16/39/230221639.db2.gz ZQTHNVRJQLWCMY-LBPRGKRZSA-N 2 2 254.334 -1.385 20 0 CAADLP C[C@H]([NH3+])CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261897378 230220566 /nfs/dbraw/zinc/22/05/66/230220566.db2.gz UPVRCKCVBFUETC-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262271800 230225802 /nfs/dbraw/zinc/22/58/02/230225802.db2.gz KNMQVVTZXDKZPH-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000419724942 230254480 /nfs/dbraw/zinc/25/44/80/230254480.db2.gz QUKFXXMCDQMAEV-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419856018 230257047 /nfs/dbraw/zinc/25/70/47/230257047.db2.gz DSQFFPVQRJUUSF-GFCCVEGCSA-N 2 2 298.387 -1.370 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423588755 230273096 /nfs/dbraw/zinc/27/30/96/230273096.db2.gz BFTYRULQNOJUFE-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423729455 230279457 /nfs/dbraw/zinc/27/94/57/230279457.db2.gz XEFVCLCSSXJGCV-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000424164216 230279727 /nfs/dbraw/zinc/27/97/27/230279727.db2.gz YQNVJFNPHDCJBD-VHSXEESVSA-N 2 2 270.333 -2.102 20 0 CAADLP [NH3+]CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430769423 230307099 /nfs/dbraw/zinc/30/70/99/230307099.db2.gz UYGJFYMRHYMKRD-JTQLQIEISA-N 2 2 270.333 -2.006 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000430735209 230307732 /nfs/dbraw/zinc/30/77/32/230307732.db2.gz PNYQOILUYZMBAA-LLVKDONJSA-N 2 2 266.345 -1.275 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000430735209 230307736 /nfs/dbraw/zinc/30/77/36/230307736.db2.gz PNYQOILUYZMBAA-LLVKDONJSA-N 2 2 266.345 -1.275 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430890423 230310975 /nfs/dbraw/zinc/31/09/75/230310975.db2.gz SVHBAJFIAXFNDT-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430890423 230310978 /nfs/dbraw/zinc/31/09/78/230310978.db2.gz SVHBAJFIAXFNDT-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[C@H]([NH3+])CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431062534 230310997 /nfs/dbraw/zinc/31/09/97/230310997.db2.gz RAWSYSPSUNCYLC-JTQLQIEISA-N 2 2 272.349 -1.712 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430882838 230311938 /nfs/dbraw/zinc/31/19/38/230311938.db2.gz NGCIGKILLZXYKO-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430882838 230311942 /nfs/dbraw/zinc/31/19/42/230311942.db2.gz NGCIGKILLZXYKO-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP CCS(=O)(=O)NCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430640244 230308831 /nfs/dbraw/zinc/30/88/31/230308831.db2.gz QODOQBUFCSATRR-UHFFFAOYSA-N 2 2 292.405 -1.711 20 0 CAADLP CCS(=O)(=O)NCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430640244 230308838 /nfs/dbraw/zinc/30/88/38/230308838.db2.gz QODOQBUFCSATRR-UHFFFAOYSA-N 2 2 292.405 -1.711 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430892126 230312776 /nfs/dbraw/zinc/31/27/76/230312776.db2.gz AXWRUWHIKHXYJZ-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430892126 230312781 /nfs/dbraw/zinc/31/27/81/230312781.db2.gz AXWRUWHIKHXYJZ-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]([NH3+])CCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000434686712 230318935 /nfs/dbraw/zinc/31/89/35/230318935.db2.gz AXJPCRJDUOJLDP-NSHDSACASA-N 2 2 286.376 -1.322 20 0 CAADLP C[C@@]1(F)C[NH2+]CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000449573410 230344518 /nfs/dbraw/zinc/34/45/18/230344518.db2.gz SFAUDZWQDQUBID-GFCCVEGCSA-N 2 2 272.324 -1.422 20 0 CAADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000459891256 230351260 /nfs/dbraw/zinc/35/12/60/230351260.db2.gz ANVYZNUOBIZCEG-UHFFFAOYSA-N 2 2 256.350 -1.220 20 0 CAADLP C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000479292911 230354979 /nfs/dbraw/zinc/35/49/79/230354979.db2.gz BUJRDOPKFQKTNS-NNYUYHANSA-N 2 2 271.361 -1.065 20 0 CAADLP C[NH+]1CCN(CCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431003524 529770830 /nfs/dbraw/zinc/77/08/30/529770830.db2.gz GUWKCNQCJZPOHH-UHFFFAOYSA-N 2 2 297.403 -1.828 20 0 CAADLP CN1CC[NH+](CCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431003524 529770832 /nfs/dbraw/zinc/77/08/32/529770832.db2.gz GUWKCNQCJZPOHH-UHFFFAOYSA-N 2 2 297.403 -1.828 20 0 CAADLP C[NH+]1CCN(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000431000978 529771743 /nfs/dbraw/zinc/77/17/43/529771743.db2.gz HTHLQBPULPKROU-UHFFFAOYSA-N 2 2 283.376 -2.218 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000344652960 529781533 /nfs/dbraw/zinc/78/15/33/529781533.db2.gz GESHCURANMVDQO-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000344652960 529781535 /nfs/dbraw/zinc/78/15/35/529781535.db2.gz GESHCURANMVDQO-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)C1 ZINC000344652960 529781537 /nfs/dbraw/zinc/78/15/37/529781537.db2.gz GESHCURANMVDQO-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)C1 ZINC000344652960 529781539 /nfs/dbraw/zinc/78/15/39/529781539.db2.gz GESHCURANMVDQO-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000344652968 529787185 /nfs/dbraw/zinc/78/71/85/529787185.db2.gz GESHCURANMVDQO-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000344652968 529787186 /nfs/dbraw/zinc/78/71/86/529787186.db2.gz GESHCURANMVDQO-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)C1 ZINC000344652968 529787187 /nfs/dbraw/zinc/78/71/87/529787187.db2.gz GESHCURANMVDQO-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)C1 ZINC000344652968 529787188 /nfs/dbraw/zinc/78/71/88/529787188.db2.gz GESHCURANMVDQO-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000154942106 529787244 /nfs/dbraw/zinc/78/72/44/529787244.db2.gz RMQVXEKYQZMKDE-NSHDSACASA-N 2 2 257.334 -1.547 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000154942106 529787245 /nfs/dbraw/zinc/78/72/45/529787245.db2.gz RMQVXEKYQZMKDE-NSHDSACASA-N 2 2 257.334 -1.547 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000174380994 529787595 /nfs/dbraw/zinc/78/75/95/529787595.db2.gz JYGWBPSDYMLTJJ-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000174380994 529787596 /nfs/dbraw/zinc/78/75/96/529787596.db2.gz JYGWBPSDYMLTJJ-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419295601 529788922 /nfs/dbraw/zinc/78/89/22/529788922.db2.gz CKPUPRJDWMSMJU-LLVKDONJSA-N 2 2 298.387 -1.356 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000419295601 529788923 /nfs/dbraw/zinc/78/89/23/529788923.db2.gz CKPUPRJDWMSMJU-LLVKDONJSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174392475 529789685 /nfs/dbraw/zinc/78/96/85/529789685.db2.gz NZDUFALUKRFQDJ-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174392475 529789686 /nfs/dbraw/zinc/78/96/86/529789686.db2.gz NZDUFALUKRFQDJ-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174392475 529789687 /nfs/dbraw/zinc/78/96/87/529789687.db2.gz NZDUFALUKRFQDJ-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174392475 529789688 /nfs/dbraw/zinc/78/96/88/529789688.db2.gz NZDUFALUKRFQDJ-MNOVXSKESA-N 2 2 257.334 -1.236 20 0 CAADLP CN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000352696328 529827711 /nfs/dbraw/zinc/82/77/11/529827711.db2.gz JLNVVVCYVFOSNF-NSHDSACASA-N 2 2 268.361 -1.077 20 0 CAADLP CN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000352696328 529827713 /nfs/dbraw/zinc/82/77/13/529827713.db2.gz JLNVVVCYVFOSNF-NSHDSACASA-N 2 2 268.361 -1.077 20 0 CAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261790067 529852329 /nfs/dbraw/zinc/85/23/29/529852329.db2.gz GBWBVRCOBZTUGU-JTQLQIEISA-N 2 2 258.366 -1.158 20 0 CAADLP C[N@H+](CC(N)=O)C[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261790067 529852330 /nfs/dbraw/zinc/85/23/30/529852330.db2.gz GBWBVRCOBZTUGU-JTQLQIEISA-N 2 2 258.366 -1.158 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424195520 529911246 /nfs/dbraw/zinc/91/12/46/529911246.db2.gz TUCSHRKAORVGME-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000424197810 529911322 /nfs/dbraw/zinc/91/13/22/529911322.db2.gz XDZOYADPWWUZSJ-LLVKDONJSA-N 2 2 257.334 -1.235 20 0 CAADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000178985659 529924650 /nfs/dbraw/zinc/92/46/50/529924650.db2.gz VPBUXEBBDBYTMO-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000178985659 529924651 /nfs/dbraw/zinc/92/46/51/529924651.db2.gz VPBUXEBBDBYTMO-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[NH2+]CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178803585 529956702 /nfs/dbraw/zinc/95/67/02/529956702.db2.gz CLEUOGDNKOFNJV-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP C[NH2+]CCC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000262405469 529959322 /nfs/dbraw/zinc/95/93/22/529959322.db2.gz PYELCDAMOKWWCZ-UHFFFAOYSA-N 2 2 272.349 -1.840 20 0 CAADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430961680 529993193 /nfs/dbraw/zinc/99/31/93/529993193.db2.gz AAXGUFXUATYDAB-JTQLQIEISA-N 2 2 254.334 -1.514 20 0 CAADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430961680 529993194 /nfs/dbraw/zinc/99/31/94/529993194.db2.gz AAXGUFXUATYDAB-JTQLQIEISA-N 2 2 254.334 -1.514 20 0 CAADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430961681 530005286 /nfs/dbraw/zinc/00/52/86/530005286.db2.gz AAXGUFXUATYDAB-SNVBAGLBSA-N 2 2 254.334 -1.514 20 0 CAADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430961681 530005288 /nfs/dbraw/zinc/00/52/88/530005288.db2.gz AAXGUFXUATYDAB-SNVBAGLBSA-N 2 2 254.334 -1.514 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423665248 530066124 /nfs/dbraw/zinc/06/61/24/530066124.db2.gz JGUJVKRQYUHGGR-SNVBAGLBSA-N 2 2 254.334 -1.290 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423646414 530066303 /nfs/dbraw/zinc/06/63/03/530066303.db2.gz PLUKVPQTJKVWSH-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CCO)CC2)CC1 ZINC000429686120 530067051 /nfs/dbraw/zinc/06/70/51/530067051.db2.gz RCZKTCFNPWLAQS-UHFFFAOYSA-N 2 2 284.404 -1.240 20 0 CAADLP C[NH+]1CCN(C(=O)CCN2CC[NH+](CCO)CC2)CC1 ZINC000429686120 530067052 /nfs/dbraw/zinc/06/70/52/530067052.db2.gz RCZKTCFNPWLAQS-UHFFFAOYSA-N 2 2 284.404 -1.240 20 0 CAADLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000178700831 530067687 /nfs/dbraw/zinc/06/76/87/530067687.db2.gz HDZUZFOUFDUMGX-SNVBAGLBSA-N 2 2 286.401 -1.071 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000479258669 290753718 /nfs/dbraw/zinc/75/37/18/290753718.db2.gz JWEQMGPSEHGTCE-LOWDOPEQSA-N 2 2 283.372 -1.112 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000673531846 545594777 /nfs/dbraw/zinc/59/47/77/545594777.db2.gz OOYKGBBLMBJGRP-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000673531846 545594780 /nfs/dbraw/zinc/59/47/80/545594780.db2.gz OOYKGBBLMBJGRP-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000673514411 545595601 /nfs/dbraw/zinc/59/56/01/545595601.db2.gz GAEXEDWMIJDCKU-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CC[C@H](O)C3)C2)C1 ZINC000673514411 545595604 /nfs/dbraw/zinc/59/56/04/545595604.db2.gz GAEXEDWMIJDCKU-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000673514412 545595496 /nfs/dbraw/zinc/59/54/96/545595496.db2.gz GAEXEDWMIJDCKU-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000673514412 545595501 /nfs/dbraw/zinc/59/55/01/545595501.db2.gz GAEXEDWMIJDCKU-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000673514412 545595506 /nfs/dbraw/zinc/59/55/06/545595506.db2.gz GAEXEDWMIJDCKU-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000673514412 545595511 /nfs/dbraw/zinc/59/55/11/545595511.db2.gz GAEXEDWMIJDCKU-UPJWGTAASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000673514411 545595608 /nfs/dbraw/zinc/59/56/08/545595608.db2.gz GAEXEDWMIJDCKU-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000673514411 545595612 /nfs/dbraw/zinc/59/56/12/545595612.db2.gz GAEXEDWMIJDCKU-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000674289309 545597442 /nfs/dbraw/zinc/59/74/42/545597442.db2.gz DMLXMTMDVNQUMK-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP C[C@@H](CC[N@H+]1C[C@H](O)C[C@H](O)C1)[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000676253193 545602990 /nfs/dbraw/zinc/60/29/90/545602990.db2.gz YVUNEWBIMZXWHH-PDWCTOEPSA-N 2 2 288.388 -1.380 20 0 CAADLP C[C@@H](CC[N@@H+]1C[C@H](O)C[C@H](O)C1)[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000676253193 545602993 /nfs/dbraw/zinc/60/29/93/545602993.db2.gz YVUNEWBIMZXWHH-PDWCTOEPSA-N 2 2 288.388 -1.380 20 0 CAADLP C[C@@H](CC[NH+]1C[C@H](O)C[C@H](O)C1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000676253193 545602996 /nfs/dbraw/zinc/60/29/96/545602996.db2.gz YVUNEWBIMZXWHH-PDWCTOEPSA-N 2 2 288.388 -1.380 20 0 CAADLP C[C@@H](CC[NH+]1C[C@H](O)C[C@H](O)C1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000676253193 545602998 /nfs/dbraw/zinc/60/29/98/545602998.db2.gz YVUNEWBIMZXWHH-PDWCTOEPSA-N 2 2 288.388 -1.380 20 0 CAADLP COC(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000496322658 291174392 /nfs/dbraw/zinc/17/43/92/291174392.db2.gz JBVAPVQGNFTPFX-VIFPVBQESA-N 2 2 258.322 -1.214 20 0 CAADLP COC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000496322658 291174393 /nfs/dbraw/zinc/17/43/93/291174393.db2.gz JBVAPVQGNFTPFX-VIFPVBQESA-N 2 2 258.322 -1.214 20 0 CAADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423602929 283591546 /nfs/dbraw/zinc/59/15/46/283591546.db2.gz HQYQEAREBYOXDR-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001192580733 781948702 /nfs/dbraw/zinc/94/87/02/781948702.db2.gz MJBPHMOBRMGRNK-GHMZBOCLSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001192580733 781948710 /nfs/dbraw/zinc/94/87/10/781948710.db2.gz MJBPHMOBRMGRNK-GHMZBOCLSA-N 2 2 282.344 -1.114 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639541 781952512 /nfs/dbraw/zinc/95/25/12/781952512.db2.gz CNMHINWTEDUUKB-HBNTYKKESA-N 2 2 282.344 -1.116 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639541 781952523 /nfs/dbraw/zinc/95/25/23/781952523.db2.gz CNMHINWTEDUUKB-HBNTYKKESA-N 2 2 282.344 -1.116 20 0 CAADLP C[C@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]C1 ZINC000574275458 335005893 /nfs/dbraw/zinc/00/58/93/335005893.db2.gz FUNARFSLUGLMDX-QWRGUYRKSA-N 2 2 268.361 -1.078 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)CN1CCOCC1)C1CC1 ZINC000583934841 372763697 /nfs/dbraw/zinc/76/36/97/372763697.db2.gz XYYOPZWGHAIUKY-JSGCOSHPSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)CN1CCOCC1)C1CC1 ZINC000583934841 372763701 /nfs/dbraw/zinc/76/37/01/372763701.db2.gz XYYOPZWGHAIUKY-JSGCOSHPSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)CN1CCOCC1)C1CC1 ZINC000583934842 372764557 /nfs/dbraw/zinc/76/45/57/372764557.db2.gz XYYOPZWGHAIUKY-OCCSQVGLSA-N 2 2 287.404 -1.276 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)CN1CCOCC1)C1CC1 ZINC000583934842 372764563 /nfs/dbraw/zinc/76/45/63/372764563.db2.gz XYYOPZWGHAIUKY-OCCSQVGLSA-N 2 2 287.404 -1.276 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643590187 372778684 /nfs/dbraw/zinc/77/86/84/372778684.db2.gz BZBJRDCHTCNRMI-NWDGAFQWSA-N 2 2 280.372 -1.029 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643590189 372780162 /nfs/dbraw/zinc/78/01/62/372780162.db2.gz BZBJRDCHTCNRMI-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000036192959 372781417 /nfs/dbraw/zinc/78/14/17/372781417.db2.gz QFNHMDPDDWTFLA-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP O[C@@H]1CC[N@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000624681104 372783075 /nfs/dbraw/zinc/78/30/75/372783075.db2.gz QBQXMQZZMABIQO-SECBINFHSA-N 2 2 265.317 -1.128 20 0 CAADLP O[C@@H]1CC[N@@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000624681104 372783077 /nfs/dbraw/zinc/78/30/77/372783077.db2.gz QBQXMQZZMABIQO-SECBINFHSA-N 2 2 265.317 -1.128 20 0 CAADLP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@H+](C)CCO1 ZINC000624051405 372823350 /nfs/dbraw/zinc/82/33/50/372823350.db2.gz BRYZWHXEYIUDCY-RNFRBKRXSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000624051405 372823360 /nfs/dbraw/zinc/82/33/60/372823360.db2.gz BRYZWHXEYIUDCY-RNFRBKRXSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000624051406 372824353 /nfs/dbraw/zinc/82/43/53/372824353.db2.gz BRYZWHXEYIUDCY-RQJHMYQMSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000624051406 372824361 /nfs/dbraw/zinc/82/43/61/372824361.db2.gz BRYZWHXEYIUDCY-RQJHMYQMSA-N 2 2 253.310 -1.750 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399868303 372801023 /nfs/dbraw/zinc/80/10/23/372801023.db2.gz BBGOLCFXJSJJBK-RYUDHWBXSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](O)C1 ZINC000399868303 372801029 /nfs/dbraw/zinc/80/10/29/372801029.db2.gz BBGOLCFXJSJJBK-RYUDHWBXSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399868303 372801039 /nfs/dbraw/zinc/80/10/39/372801039.db2.gz BBGOLCFXJSJJBK-RYUDHWBXSA-N 2 2 262.350 -1.381 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000399868303 372801047 /nfs/dbraw/zinc/80/10/47/372801047.db2.gz BBGOLCFXJSJJBK-RYUDHWBXSA-N 2 2 262.350 -1.381 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H](C[NH3+])C1 ZINC000123161128 372807615 /nfs/dbraw/zinc/80/76/15/372807615.db2.gz JSYRDMCFIZYNLL-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H](C[NH3+])C1 ZINC000123161128 372807622 /nfs/dbraw/zinc/80/76/22/372807622.db2.gz JSYRDMCFIZYNLL-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000642728596 372808021 /nfs/dbraw/zinc/80/80/21/372808021.db2.gz KFMCOXVHBVGTAI-GRYCIOLGSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642728596 372808028 /nfs/dbraw/zinc/80/80/28/372808028.db2.gz KFMCOXVHBVGTAI-GRYCIOLGSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@](C[NH3+])(NC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000237625091 372808788 /nfs/dbraw/zinc/80/87/88/372808788.db2.gz PFYBSMMHJSTDQI-LBPRGKRZSA-N 2 2 254.334 -1.338 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000642728647 372810258 /nfs/dbraw/zinc/81/02/58/372810258.db2.gz PDVMULYLUVIIHR-SDDRHHMPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000642728647 372810259 /nfs/dbraw/zinc/81/02/59/372810259.db2.gz PDVMULYLUVIIHR-SDDRHHMPSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000642728650 372810388 /nfs/dbraw/zinc/81/03/88/372810388.db2.gz PDVMULYLUVIIHR-UTUOFQBUSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000642728650 372810389 /nfs/dbraw/zinc/81/03/89/372810389.db2.gz PDVMULYLUVIIHR-UTUOFQBUSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000642728646 372810478 /nfs/dbraw/zinc/81/04/78/372810478.db2.gz PDVMULYLUVIIHR-QJPTWQEYSA-N 2 2 298.387 -1.358 20 0 CAADLP C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000642728646 372810480 /nfs/dbraw/zinc/81/04/80/372810480.db2.gz PDVMULYLUVIIHR-QJPTWQEYSA-N 2 2 298.387 -1.358 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000238107182 372812550 /nfs/dbraw/zinc/81/25/50/372812550.db2.gz QPOBDNSVPQPPMA-NSHDSACASA-N 2 2 268.361 -1.076 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCCN1CC[NH2+]CC1 ZINC000238106725 372812806 /nfs/dbraw/zinc/81/28/06/372812806.db2.gz AKQMHZTWLSYXGZ-UHFFFAOYSA-N 2 2 269.349 -2.560 20 0 CAADLP C[C@@H]1C[N@H+](CCO)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624266129 372846108 /nfs/dbraw/zinc/84/61/08/372846108.db2.gz GQXTWBLLNXJWOT-SSDOTTSWSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@@H]1C[N@@H+](CCO)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624266129 372846118 /nfs/dbraw/zinc/84/61/18/372846118.db2.gz GQXTWBLLNXJWOT-SSDOTTSWSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@H]1C[N@H+](CCO)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624266130 372847879 /nfs/dbraw/zinc/84/78/79/372847879.db2.gz GQXTWBLLNXJWOT-ZETCQYMHSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@H]1C[N@@H+](CCO)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624266130 372847885 /nfs/dbraw/zinc/84/78/85/372847885.db2.gz GQXTWBLLNXJWOT-ZETCQYMHSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@H]1C[N@H+](CCNc2nc(N)[nH+]c(N)n2)[C@@H](C)CO1 ZINC000624392523 372856729 /nfs/dbraw/zinc/85/67/29/372856729.db2.gz SUDPGBGWBQWLGZ-YUMQZZPRSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@H]1C[N@@H+](CCNc2nc(N)[nH+]c(N)n2)[C@@H](C)CO1 ZINC000624392523 372856737 /nfs/dbraw/zinc/85/67/37/372856737.db2.gz SUDPGBGWBQWLGZ-YUMQZZPRSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@@H]1C[N@H+](CCNc2nc(N)[nH+]c(N)n2)[C@@H](C)CO1 ZINC000624392521 372857763 /nfs/dbraw/zinc/85/77/63/372857763.db2.gz SUDPGBGWBQWLGZ-JGVFFNPUSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@@H]1C[N@@H+](CCNc2nc(N)[nH+]c(N)n2)[C@@H](C)CO1 ZINC000624392521 372857769 /nfs/dbraw/zinc/85/77/69/372857769.db2.gz SUDPGBGWBQWLGZ-JGVFFNPUSA-N 2 2 267.337 -1.360 20 0 CAADLP NC(=O)NC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600751771 372892976 /nfs/dbraw/zinc/89/29/76/372892976.db2.gz FVMIKNPUMXQKHJ-VIFPVBQESA-N 2 2 285.348 -1.499 20 0 CAADLP NC(=O)NC(=O)CC[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600751771 372892981 /nfs/dbraw/zinc/89/29/81/372892981.db2.gz FVMIKNPUMXQKHJ-VIFPVBQESA-N 2 2 285.348 -1.499 20 0 CAADLP CN(C)S(=O)(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600711633 372893110 /nfs/dbraw/zinc/89/31/10/372893110.db2.gz SYIBLJKWABWQSD-NXEZZACHSA-N 2 2 290.389 -1.878 20 0 CAADLP CN(C)S(=O)(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600711633 372893116 /nfs/dbraw/zinc/89/31/16/372893116.db2.gz SYIBLJKWABWQSD-NXEZZACHSA-N 2 2 290.389 -1.878 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869770 372883540 /nfs/dbraw/zinc/88/35/40/372883540.db2.gz GYXNZWQGOVKWGT-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625869770 372883553 /nfs/dbraw/zinc/88/35/53/372883553.db2.gz GYXNZWQGOVKWGT-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625869770 372883560 /nfs/dbraw/zinc/88/35/60/372883560.db2.gz GYXNZWQGOVKWGT-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625869770 372883568 /nfs/dbraw/zinc/88/35/68/372883568.db2.gz GYXNZWQGOVKWGT-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP [NH3+]C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCCO1 ZINC000518531859 372884072 /nfs/dbraw/zinc/88/40/72/372884072.db2.gz FFWKIHYJGMZXRR-SNVBAGLBSA-N 2 2 270.333 -2.006 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCCO1 ZINC000518531858 372884321 /nfs/dbraw/zinc/88/43/21/372884321.db2.gz FFWKIHYJGMZXRR-JTQLQIEISA-N 2 2 270.333 -2.006 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634765697 372886405 /nfs/dbraw/zinc/88/64/05/372886405.db2.gz ZQPBYIGNJIPQMO-MFKMUULPSA-N 2 2 266.345 -1.324 20 0 CAADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000518532011 372886540 /nfs/dbraw/zinc/88/65/40/372886540.db2.gz NPPBAPCRWFYRFL-ZJUUUORDSA-N 2 2 254.334 -1.338 20 0 CAADLP COCC(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000518530748 372886663 /nfs/dbraw/zinc/88/66/63/372886663.db2.gz CVHQESYUASWBMP-JTQLQIEISA-N 2 2 272.349 -1.808 20 0 CAADLP COCC(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000518530748 372886669 /nfs/dbraw/zinc/88/66/69/372886669.db2.gz CVHQESYUASWBMP-JTQLQIEISA-N 2 2 272.349 -1.808 20 0 CAADLP CN1CC[C@@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000116351110 372915373 /nfs/dbraw/zinc/91/53/73/372915373.db2.gz VNVPLVAQQREXCP-LLVKDONJSA-N 2 2 268.361 -1.077 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000642925868 372925831 /nfs/dbraw/zinc/92/58/31/372925831.db2.gz BWLCFROZYGSFKG-UHFFFAOYSA-N 2 2 298.387 -1.356 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000087083651 372952875 /nfs/dbraw/zinc/95/28/75/372952875.db2.gz HZPLNMQSXUXBHQ-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000087083651 372952878 /nfs/dbraw/zinc/95/28/78/372952878.db2.gz HZPLNMQSXUXBHQ-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000427603535 372933283 /nfs/dbraw/zinc/93/32/83/372933283.db2.gz VHMOORIEGWXNCJ-VHSXEESVSA-N 2 2 254.334 -1.468 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081255245 372949318 /nfs/dbraw/zinc/94/93/18/372949318.db2.gz BOPMELCTOYWMSM-GFCCVEGCSA-N 2 2 298.387 -1.451 20 0 CAADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081255245 372949322 /nfs/dbraw/zinc/94/93/22/372949322.db2.gz BOPMELCTOYWMSM-GFCCVEGCSA-N 2 2 298.387 -1.451 20 0 CAADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000270901785 372962193 /nfs/dbraw/zinc/96/21/93/372962193.db2.gz REMNEVCHPRXFJW-LLVKDONJSA-N 2 2 277.328 -1.166 20 0 CAADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000270901785 372962202 /nfs/dbraw/zinc/96/22/02/372962202.db2.gz REMNEVCHPRXFJW-LLVKDONJSA-N 2 2 277.328 -1.166 20 0 CAADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000270901787 372962859 /nfs/dbraw/zinc/96/28/59/372962859.db2.gz REMNEVCHPRXFJW-NSHDSACASA-N 2 2 277.328 -1.166 20 0 CAADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000270901787 372962861 /nfs/dbraw/zinc/96/28/61/372962861.db2.gz REMNEVCHPRXFJW-NSHDSACASA-N 2 2 277.328 -1.166 20 0 CAADLP Cn1cnc2c1c(=O)n(CCC[N@H+](C)CC[NH3+])c(=O)n2C ZINC000569697538 372966671 /nfs/dbraw/zinc/96/66/71/372966671.db2.gz ROCKONJZXQNVAD-UHFFFAOYSA-N 2 2 294.359 -1.286 20 0 CAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC[NH3+])c(=O)n2C ZINC000569697538 372966680 /nfs/dbraw/zinc/96/66/80/372966680.db2.gz ROCKONJZXQNVAD-UHFFFAOYSA-N 2 2 294.359 -1.286 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643894 372999576 /nfs/dbraw/zinc/99/95/76/372999576.db2.gz BUSRCIAJDAQCSW-VXGBXAGGSA-N 3 2 295.387 -1.948 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCN2C1=O ZINC000570643894 372999581 /nfs/dbraw/zinc/99/95/81/372999581.db2.gz BUSRCIAJDAQCSW-VXGBXAGGSA-N 3 2 295.387 -1.948 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000570632929 372999875 /nfs/dbraw/zinc/99/98/75/372999875.db2.gz LMCWKDUIALKLOG-VIFPVBQESA-N 2 2 259.306 -1.675 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000570632929 372999882 /nfs/dbraw/zinc/99/98/82/372999882.db2.gz LMCWKDUIALKLOG-VIFPVBQESA-N 2 2 259.306 -1.675 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)COC2C[NH2+]C2)CCO1 ZINC000570804502 373001727 /nfs/dbraw/zinc/00/17/27/373001727.db2.gz XKYNSZZXHVHRLM-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2C[NH2+]C2)CCO1 ZINC000570804502 373001737 /nfs/dbraw/zinc/00/17/37/373001737.db2.gz XKYNSZZXHVHRLM-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158294070 373003965 /nfs/dbraw/zinc/00/39/65/373003965.db2.gz INNVBPYKQOIJLF-ZDUSSCGKSA-N 2 2 266.345 -1.370 20 0 CAADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000572659690 373004274 /nfs/dbraw/zinc/00/42/74/373004274.db2.gz NEUDKEFAMWSSGJ-UHFFFAOYSA-N 2 2 279.344 -1.018 20 0 CAADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(CC(N)=O)C(=O)C1 ZINC000572659690 373004279 /nfs/dbraw/zinc/00/42/79/373004279.db2.gz NEUDKEFAMWSSGJ-UHFFFAOYSA-N 2 2 279.344 -1.018 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000569763203 372982719 /nfs/dbraw/zinc/98/27/19/372982719.db2.gz BPGVGYLGJWMTGF-NEPJUHHUSA-N 2 2 271.361 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000569763203 372982725 /nfs/dbraw/zinc/98/27/25/372982725.db2.gz BPGVGYLGJWMTGF-NEPJUHHUSA-N 2 2 271.361 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000569763206 372983775 /nfs/dbraw/zinc/98/37/75/372983775.db2.gz BPGVGYLGJWMTGF-VXGBXAGGSA-N 2 2 271.361 -1.565 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000569763206 372983776 /nfs/dbraw/zinc/98/37/76/372983776.db2.gz BPGVGYLGJWMTGF-VXGBXAGGSA-N 2 2 271.361 -1.565 20 0 CAADLP CC(C)[NH2+]CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000151849011 372985947 /nfs/dbraw/zinc/98/59/47/372985947.db2.gz JSRMOAYQEUDKAU-UHFFFAOYSA-N 2 2 256.350 -1.078 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000565303479 373028834 /nfs/dbraw/zinc/02/88/34/373028834.db2.gz VLPWJSYNADJJTM-NWDGAFQWSA-N 2 2 280.372 -1.078 20 0 CAADLP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CCO ZINC000624123940 373020184 /nfs/dbraw/zinc/02/01/84/373020184.db2.gz UCWBFUZLTWVHRW-ZETCQYMHSA-N 2 2 253.310 -1.800 20 0 CAADLP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CCO ZINC000624123940 373020188 /nfs/dbraw/zinc/02/01/88/373020188.db2.gz UCWBFUZLTWVHRW-ZETCQYMHSA-N 2 2 253.310 -1.800 20 0 CAADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197639 373067973 /nfs/dbraw/zinc/06/79/73/373067973.db2.gz FUIKXCXVUMKFPR-NWDGAFQWSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197639 373067983 /nfs/dbraw/zinc/06/79/83/373067983.db2.gz FUIKXCXVUMKFPR-NWDGAFQWSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197638 373068025 /nfs/dbraw/zinc/06/80/25/373068025.db2.gz FUIKXCXVUMKFPR-NEPJUHHUSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000592197638 373068033 /nfs/dbraw/zinc/06/80/33/373068033.db2.gz FUIKXCXVUMKFPR-NEPJUHHUSA-N 2 2 299.371 -1.384 20 0 CAADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000592546441 373075390 /nfs/dbraw/zinc/07/53/90/373075390.db2.gz AGDKWXWKAUVVMX-SNVBAGLBSA-N 2 2 298.343 -2.218 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592960186 373084326 /nfs/dbraw/zinc/08/43/26/373084326.db2.gz ZPSJODLGYAWTIB-QJPTWQEYSA-N 2 2 299.371 -1.066 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CCCC(=O)NC(N)=O)CC1=O ZINC000593052619 373086626 /nfs/dbraw/zinc/08/66/26/373086626.db2.gz RLPHTXDRJABLDH-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CCCC(=O)NC(N)=O)CC1=O ZINC000593052619 373086640 /nfs/dbraw/zinc/08/66/40/373086640.db2.gz RLPHTXDRJABLDH-UHFFFAOYSA-N 2 2 299.375 -1.333 20 0 CAADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052370 373088159 /nfs/dbraw/zinc/08/81/59/373088159.db2.gz QLMUIFRQGLGYQS-ZDUSSCGKSA-N 2 2 287.360 -1.384 20 0 CAADLP COC(=O)[C@@](C)(O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052370 373088160 /nfs/dbraw/zinc/08/81/60/373088160.db2.gz QLMUIFRQGLGYQS-ZDUSSCGKSA-N 2 2 287.360 -1.384 20 0 CAADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000595669944 373117467 /nfs/dbraw/zinc/11/74/67/373117467.db2.gz QULYEZXXEMLDAZ-CMPLNLGQSA-N 2 2 285.344 -1.320 20 0 CAADLP Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000594701875 373102052 /nfs/dbraw/zinc/10/20/52/373102052.db2.gz PLZXHNKTHJWFBA-ZJUUUORDSA-N 2 2 291.359 -1.006 20 0 CAADLP Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000594701875 373102063 /nfs/dbraw/zinc/10/20/63/373102063.db2.gz PLZXHNKTHJWFBA-ZJUUUORDSA-N 2 2 291.359 -1.006 20 0 CAADLP Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000594701873 373102469 /nfs/dbraw/zinc/10/24/69/373102469.db2.gz PLZXHNKTHJWFBA-VHSXEESVSA-N 2 2 291.359 -1.006 20 0 CAADLP Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000594701873 373102485 /nfs/dbraw/zinc/10/24/85/373102485.db2.gz PLZXHNKTHJWFBA-VHSXEESVSA-N 2 2 291.359 -1.006 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875731 373104980 /nfs/dbraw/zinc/10/49/80/373104980.db2.gz WIKCVDBAUBETKL-SRVKXCTJSA-N 2 2 298.387 -1.229 20 0 CAADLP COCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875731 373104991 /nfs/dbraw/zinc/10/49/91/373104991.db2.gz WIKCVDBAUBETKL-SRVKXCTJSA-N 2 2 298.387 -1.229 20 0 CAADLP CNS(=O)(=O)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875145 373105058 /nfs/dbraw/zinc/10/50/58/373105058.db2.gz XXZCBSMHCPHSCI-NXEZZACHSA-N 2 2 290.389 -1.831 20 0 CAADLP CNS(=O)(=O)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875145 373105063 /nfs/dbraw/zinc/10/50/63/373105063.db2.gz XXZCBSMHCPHSCI-NXEZZACHSA-N 2 2 290.389 -1.831 20 0 CAADLP CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876399 373105502 /nfs/dbraw/zinc/10/55/02/373105502.db2.gz XMCPNHXVPVNKEW-MXWKQRLJSA-N 2 2 266.345 -1.149 20 0 CAADLP CCN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000594876399 373105503 /nfs/dbraw/zinc/10/55/03/373105503.db2.gz XMCPNHXVPVNKEW-MXWKQRLJSA-N 2 2 266.345 -1.149 20 0 CAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CCN2C1=O ZINC000594881526 373108077 /nfs/dbraw/zinc/10/80/77/373108077.db2.gz ZFAXFBVKPPPYFT-YIZRAAEISA-N 2 2 288.298 -1.246 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874170 373109536 /nfs/dbraw/zinc/10/95/36/373109536.db2.gz LPQNVJHPIXRKMG-VHSXEESVSA-N 2 2 252.318 -1.491 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC3CC3)CCN2C1=O ZINC000594874170 373109542 /nfs/dbraw/zinc/10/95/42/373109542.db2.gz LPQNVJHPIXRKMG-VHSXEESVSA-N 2 2 252.318 -1.491 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874585 373110366 /nfs/dbraw/zinc/11/03/66/373110366.db2.gz GDHCBPXDRVUWIP-CIUDSAMLSA-N 2 2 283.332 -1.926 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874585 373110373 /nfs/dbraw/zinc/11/03/73/373110373.db2.gz GDHCBPXDRVUWIP-CIUDSAMLSA-N 2 2 283.332 -1.926 20 0 CAADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000592431529 373072905 /nfs/dbraw/zinc/07/29/05/373072905.db2.gz ZXXJHZPECQDEAB-BJDJZHNGSA-N 2 2 290.360 -1.420 20 0 CAADLP COC(=O)CCN1CC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595890409 373120743 /nfs/dbraw/zinc/12/07/43/373120743.db2.gz DAMJKRUZTMNQFF-NXEZZACHSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)CCN1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000595890409 373120746 /nfs/dbraw/zinc/12/07/46/373120746.db2.gz DAMJKRUZTMNQFF-NXEZZACHSA-N 2 2 273.333 -1.598 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893107 373120935 /nfs/dbraw/zinc/12/09/35/373120935.db2.gz PFGQZABDYLLOTL-WDEREUQCSA-N 2 2 297.355 -1.129 20 0 CAADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893107 373120937 /nfs/dbraw/zinc/12/09/37/373120937.db2.gz PFGQZABDYLLOTL-WDEREUQCSA-N 2 2 297.355 -1.129 20 0 CAADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902206 373122456 /nfs/dbraw/zinc/12/24/56/373122456.db2.gz MJGBYKYJYHNPGP-SECBINFHSA-N 2 2 272.349 -1.075 20 0 CAADLP CNC(=O)NC(=O)CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000595901539 373122588 /nfs/dbraw/zinc/12/25/88/373122588.db2.gz FLCARHRGCRQNIB-QMMMGPOBSA-N 2 2 262.310 -2.554 20 0 CAADLP CNC(=O)NC(=O)CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000595901539 373122598 /nfs/dbraw/zinc/12/25/98/373122598.db2.gz FLCARHRGCRQNIB-QMMMGPOBSA-N 2 2 262.310 -2.554 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902207 373123238 /nfs/dbraw/zinc/12/32/38/373123238.db2.gz MJGBYKYJYHNPGP-VIFPVBQESA-N 2 2 272.349 -1.075 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902688 373123258 /nfs/dbraw/zinc/12/32/58/373123258.db2.gz GCZXHRMSAHTVJO-GRYCIOLGSA-N 3 2 280.372 -1.249 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902688 373123262 /nfs/dbraw/zinc/12/32/62/373123262.db2.gz GCZXHRMSAHTVJO-GRYCIOLGSA-N 3 2 280.372 -1.249 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902690 373123409 /nfs/dbraw/zinc/12/34/09/373123409.db2.gz GCZXHRMSAHTVJO-QJPTWQEYSA-N 3 2 280.372 -1.249 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902690 373123414 /nfs/dbraw/zinc/12/34/14/373123414.db2.gz GCZXHRMSAHTVJO-QJPTWQEYSA-N 3 2 280.372 -1.249 20 0 CAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1C ZINC000595957537 373124815 /nfs/dbraw/zinc/12/48/15/373124815.db2.gz VVJURUOJPXZJRE-JTQLQIEISA-N 2 2 285.344 -1.584 20 0 CAADLP COC(=O)CC[N@H+]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1C ZINC000595957537 373124827 /nfs/dbraw/zinc/12/48/27/373124827.db2.gz VVJURUOJPXZJRE-JTQLQIEISA-N 2 2 285.344 -1.584 20 0 CAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C ZINC000595957538 373125826 /nfs/dbraw/zinc/12/58/26/373125826.db2.gz VVJURUOJPXZJRE-SNVBAGLBSA-N 2 2 285.344 -1.584 20 0 CAADLP COC(=O)CC[N@H+]1CCN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C ZINC000595957538 373125834 /nfs/dbraw/zinc/12/58/34/373125834.db2.gz VVJURUOJPXZJRE-SNVBAGLBSA-N 2 2 285.344 -1.584 20 0 CAADLP COc1c(N)[nH+]cnc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596013644 373129976 /nfs/dbraw/zinc/12/99/76/373129976.db2.gz ISPIRHRBCVRTGB-JGVFFNPUSA-N 2 2 278.316 -1.184 20 0 CAADLP COc1c(N)nc[nH+]c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596013644 373129983 /nfs/dbraw/zinc/12/99/83/373129983.db2.gz ISPIRHRBCVRTGB-JGVFFNPUSA-N 2 2 278.316 -1.184 20 0 CAADLP COC(=O)CNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910161 373216723 /nfs/dbraw/zinc/21/67/23/373216723.db2.gz LARNATPRBWTCIK-GUBZILKMSA-N 2 2 255.318 -1.185 20 0 CAADLP COC(=O)CCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603833387 373217226 /nfs/dbraw/zinc/21/72/26/373217226.db2.gz JUKJLBLZAQIQNX-NXEZZACHSA-N 2 2 255.318 -1.183 20 0 CAADLP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000563109515 373218203 /nfs/dbraw/zinc/21/82/03/373218203.db2.gz JMBZSTZBBAVOCX-NXEZZACHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000563109521 373218695 /nfs/dbraw/zinc/21/86/95/373218695.db2.gz JMBZSTZBBAVOCX-UWVGGRQHSA-N 2 2 254.334 -1.325 20 0 CAADLP OC[C@@H](C[NH+]1CCCC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000567873469 373220838 /nfs/dbraw/zinc/22/08/38/373220838.db2.gz WPVWRIHHKJZGAY-ZIAGYGMSSA-N 2 2 287.404 -1.274 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313626155 373221416 /nfs/dbraw/zinc/22/14/16/373221416.db2.gz LGCHTGVUYFJZSP-OLZOCXBDSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313626155 373221418 /nfs/dbraw/zinc/22/14/18/373221418.db2.gz LGCHTGVUYFJZSP-OLZOCXBDSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313626155 373221421 /nfs/dbraw/zinc/22/14/21/373221421.db2.gz LGCHTGVUYFJZSP-OLZOCXBDSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313626155 373221423 /nfs/dbraw/zinc/22/14/23/373221423.db2.gz LGCHTGVUYFJZSP-OLZOCXBDSA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313626161 373222353 /nfs/dbraw/zinc/22/23/53/373222353.db2.gz LGCHTGVUYFJZSP-STQMWFEESA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313626161 373222361 /nfs/dbraw/zinc/22/23/61/373222361.db2.gz LGCHTGVUYFJZSP-STQMWFEESA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313626161 373222365 /nfs/dbraw/zinc/22/23/65/373222365.db2.gz LGCHTGVUYFJZSP-STQMWFEESA-N 2 2 276.377 -1.255 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313626161 373222370 /nfs/dbraw/zinc/22/23/70/373222370.db2.gz LGCHTGVUYFJZSP-STQMWFEESA-N 2 2 276.377 -1.255 20 0 CAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563139700 373222689 /nfs/dbraw/zinc/22/26/89/373222689.db2.gz BRFRDQKMJJDXFO-NZEXEKPDSA-N 2 2 276.377 -1.212 20 0 CAADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563139700 373222692 /nfs/dbraw/zinc/22/26/92/373222692.db2.gz BRFRDQKMJJDXFO-NZEXEKPDSA-N 2 2 276.377 -1.212 20 0 CAADLP C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567829759 373185617 /nfs/dbraw/zinc/18/56/17/373185617.db2.gz NADHFBWCWGIUPY-RKDXNWHRSA-N 2 2 278.378 -1.975 20 0 CAADLP C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567829759 373185620 /nfs/dbraw/zinc/18/56/20/373185620.db2.gz NADHFBWCWGIUPY-RKDXNWHRSA-N 2 2 278.378 -1.975 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NS(N)(=O)=O)C2)CC1 ZINC000602283978 373196824 /nfs/dbraw/zinc/19/68/24/373196824.db2.gz ZUDMGRIVYQJHMP-VIFPVBQESA-N 2 2 262.379 -1.052 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@H](NS(N)(=O)=O)C2)CC1 ZINC000602283978 373196830 /nfs/dbraw/zinc/19/68/30/373196830.db2.gz ZUDMGRIVYQJHMP-VIFPVBQESA-N 2 2 262.379 -1.052 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)CC1 ZINC000602200189 373197473 /nfs/dbraw/zinc/19/74/73/373197473.db2.gz GNFAKCNJDJVTSV-NSHDSACASA-N 2 2 293.375 -1.042 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)CC1 ZINC000602200189 373197482 /nfs/dbraw/zinc/19/74/82/373197482.db2.gz GNFAKCNJDJVTSV-NSHDSACASA-N 2 2 293.375 -1.042 20 0 CAADLP COC(=O)c1cnn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000602435733 373197950 /nfs/dbraw/zinc/19/79/50/373197950.db2.gz SYJFBNSZUVYIQK-LLVKDONJSA-N 2 2 295.343 -1.229 20 0 CAADLP COC(=O)c1cnn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000602435733 373197963 /nfs/dbraw/zinc/19/79/63/373197963.db2.gz SYJFBNSZUVYIQK-LLVKDONJSA-N 2 2 295.343 -1.229 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889892 373205293 /nfs/dbraw/zinc/20/52/93/373205293.db2.gz FSWNZXOPDYFLDO-BXKDBHETSA-N 2 2 272.349 -1.042 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889892 373205299 /nfs/dbraw/zinc/20/52/99/373205299.db2.gz FSWNZXOPDYFLDO-BXKDBHETSA-N 2 2 272.349 -1.042 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889895 373207118 /nfs/dbraw/zinc/20/71/18/373207118.db2.gz FSWNZXOPDYFLDO-SKDRFNHKSA-N 2 2 272.349 -1.042 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889895 373207124 /nfs/dbraw/zinc/20/71/24/373207124.db2.gz FSWNZXOPDYFLDO-SKDRFNHKSA-N 2 2 272.349 -1.042 20 0 CAADLP CC(C)[C@@H](CNc1nc(N)[nH+]c(N)n1)[NH+]1CCOCC1 ZINC000623832390 373242987 /nfs/dbraw/zinc/24/29/87/373242987.db2.gz YSUAKPGORADKAF-SECBINFHSA-N 2 2 281.364 -1.113 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000637439651 373254947 /nfs/dbraw/zinc/25/49/47/373254947.db2.gz BDKSOLHIZZHKMW-VXGBXAGGSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000637439651 373254958 /nfs/dbraw/zinc/25/49/58/373254958.db2.gz BDKSOLHIZZHKMW-VXGBXAGGSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637439651 373254965 /nfs/dbraw/zinc/25/49/65/373254965.db2.gz BDKSOLHIZZHKMW-VXGBXAGGSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637439651 373254972 /nfs/dbraw/zinc/25/49/72/373254972.db2.gz BDKSOLHIZZHKMW-VXGBXAGGSA-N 2 2 286.376 -1.317 20 0 CAADLP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976752 373255639 /nfs/dbraw/zinc/25/56/39/373255639.db2.gz XCBGSIYZRBJWIA-NWDGAFQWSA-N 2 2 269.345 -1.092 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637440644 373256372 /nfs/dbraw/zinc/25/63/72/373256372.db2.gz OUGPTQVRIACASD-YNEHKIRRSA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000637440644 373256381 /nfs/dbraw/zinc/25/63/81/373256381.db2.gz OUGPTQVRIACASD-YNEHKIRRSA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000637440644 373256385 /nfs/dbraw/zinc/25/63/85/373256385.db2.gz OUGPTQVRIACASD-YNEHKIRRSA-N 2 2 298.387 -1.223 20 0 CAADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000637440644 373256393 /nfs/dbraw/zinc/25/63/93/373256393.db2.gz OUGPTQVRIACASD-YNEHKIRRSA-N 2 2 298.387 -1.223 20 0 CAADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442737 373258711 /nfs/dbraw/zinc/25/87/11/373258711.db2.gz IZEHRTNDVKKKMD-WCQYABFASA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442737 373258716 /nfs/dbraw/zinc/25/87/16/373258716.db2.gz IZEHRTNDVKKKMD-WCQYABFASA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442737 373258723 /nfs/dbraw/zinc/25/87/23/373258723.db2.gz IZEHRTNDVKKKMD-WCQYABFASA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442737 373258727 /nfs/dbraw/zinc/25/87/27/373258727.db2.gz IZEHRTNDVKKKMD-WCQYABFASA-N 2 2 286.376 -1.317 20 0 CAADLP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000637443135 373258966 /nfs/dbraw/zinc/25/89/66/373258966.db2.gz KOTCQCYZQPGELW-GFCCVEGCSA-N 2 2 288.392 -1.070 20 0 CAADLP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000637443135 373258972 /nfs/dbraw/zinc/25/89/72/373258972.db2.gz KOTCQCYZQPGELW-GFCCVEGCSA-N 2 2 288.392 -1.070 20 0 CAADLP CC[NH+](CCO)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443135 373258975 /nfs/dbraw/zinc/25/89/75/373258975.db2.gz KOTCQCYZQPGELW-GFCCVEGCSA-N 2 2 288.392 -1.070 20 0 CAADLP CC[NH+](CCO)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443135 373258979 /nfs/dbraw/zinc/25/89/79/373258979.db2.gz KOTCQCYZQPGELW-GFCCVEGCSA-N 2 2 288.392 -1.070 20 0 CAADLP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442738 373259071 /nfs/dbraw/zinc/25/90/71/373259071.db2.gz IZEHRTNDVKKKMD-YPMHNXCESA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442738 373259075 /nfs/dbraw/zinc/25/90/75/373259075.db2.gz IZEHRTNDVKKKMD-YPMHNXCESA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637442738 373259080 /nfs/dbraw/zinc/25/90/80/373259080.db2.gz IZEHRTNDVKKKMD-YPMHNXCESA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@](O)(CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637442738 373259084 /nfs/dbraw/zinc/25/90/84/373259084.db2.gz IZEHRTNDVKKKMD-YPMHNXCESA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443275 373259386 /nfs/dbraw/zinc/25/93/86/373259386.db2.gz LPRWFVJFBHNEMX-WCQYABFASA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443275 373259388 /nfs/dbraw/zinc/25/93/88/373259388.db2.gz LPRWFVJFBHNEMX-WCQYABFASA-N 2 2 288.392 -1.071 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C[C@@H]1O ZINC000637443758 373259444 /nfs/dbraw/zinc/25/94/44/373259444.db2.gz ZMHVAXALWQQOGH-WOPDTQHZSA-N 2 2 286.376 -1.367 20 0 CAADLP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)C[C@@H]1O ZINC000637443758 373259448 /nfs/dbraw/zinc/25/94/48/373259448.db2.gz ZMHVAXALWQQOGH-WOPDTQHZSA-N 2 2 286.376 -1.367 20 0 CAADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442736 373259550 /nfs/dbraw/zinc/25/95/50/373259550.db2.gz IZEHRTNDVKKKMD-DGCLKSJQSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442736 373259553 /nfs/dbraw/zinc/25/95/53/373259553.db2.gz IZEHRTNDVKKKMD-DGCLKSJQSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637442736 373259557 /nfs/dbraw/zinc/25/95/57/373259557.db2.gz IZEHRTNDVKKKMD-DGCLKSJQSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@@](O)(CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637442736 373259560 /nfs/dbraw/zinc/25/95/60/373259560.db2.gz IZEHRTNDVKKKMD-DGCLKSJQSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442735 373259575 /nfs/dbraw/zinc/25/95/75/373259575.db2.gz IZEHRTNDVKKKMD-AAEUAGOBSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442735 373259580 /nfs/dbraw/zinc/25/95/80/373259580.db2.gz IZEHRTNDVKKKMD-AAEUAGOBSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442735 373259583 /nfs/dbraw/zinc/25/95/83/373259583.db2.gz IZEHRTNDVKKKMD-AAEUAGOBSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+]1CC[C@](O)(CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442735 373259584 /nfs/dbraw/zinc/25/95/84/373259584.db2.gz IZEHRTNDVKKKMD-AAEUAGOBSA-N 2 2 286.376 -1.317 20 0 CAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCC[NH+]1CCOCC1 ZINC000337594843 373263904 /nfs/dbraw/zinc/26/39/04/373263904.db2.gz FFYNTVUESLJHKZ-ZDUSSCGKSA-N 2 2 288.392 -1.070 20 0 CAADLP O=C(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000311265740 373295703 /nfs/dbraw/zinc/29/57/03/373295703.db2.gz HBDWCJLREREQSX-GFCCVEGCSA-N 2 2 271.361 -1.109 20 0 CAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCO)CC1 ZINC000311571249 373298491 /nfs/dbraw/zinc/29/84/91/373298491.db2.gz AFZPYWGCVZSKPH-NSHDSACASA-N 2 2 293.389 -2.086 20 0 CAADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487523 373299449 /nfs/dbraw/zinc/29/94/49/373299449.db2.gz ZUGYJEIKLRIFIA-CQSZACIVSA-N 2 2 280.372 -1.028 20 0 CAADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487523 373299456 /nfs/dbraw/zinc/29/94/56/373299456.db2.gz ZUGYJEIKLRIFIA-CQSZACIVSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487523 373299462 /nfs/dbraw/zinc/29/94/62/373299462.db2.gz ZUGYJEIKLRIFIA-CQSZACIVSA-N 2 2 280.372 -1.028 20 0 CAADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000366487523 373299467 /nfs/dbraw/zinc/29/94/67/373299467.db2.gz ZUGYJEIKLRIFIA-CQSZACIVSA-N 2 2 280.372 -1.028 20 0 CAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCO)CC1 ZINC000311571248 373300255 /nfs/dbraw/zinc/30/02/55/373300255.db2.gz AFZPYWGCVZSKPH-LLVKDONJSA-N 2 2 293.389 -2.086 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638055749 373373863 /nfs/dbraw/zinc/37/38/63/373373863.db2.gz IPNFZERYCWIENB-WDEREUQCSA-N 2 2 257.334 -1.107 20 0 CAADLP C[C@@H](C(=O)NCCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638046918 373374485 /nfs/dbraw/zinc/37/44/85/373374485.db2.gz GVDICRYEIPUPRU-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638068502 373375749 /nfs/dbraw/zinc/37/57/49/373375749.db2.gz CDVDUTOJYCOVFV-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638069618 373376601 /nfs/dbraw/zinc/37/66/01/373376601.db2.gz LLSGDBACDQWULW-CQSZACIVSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638069655 373377121 /nfs/dbraw/zinc/37/71/21/373377121.db2.gz LSIVHYHGHVYWDL-OUAUKWLOSA-N 2 2 257.334 -1.061 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638056894 373377664 /nfs/dbraw/zinc/37/76/64/373377664.db2.gz OGWOHKZYLWSAOX-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000637798599 373350545 /nfs/dbraw/zinc/35/05/45/373350545.db2.gz MJAGSKQOEJDMBF-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637801733 373352029 /nfs/dbraw/zinc/35/20/29/373352029.db2.gz MUQKSJMGZQGDOU-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)NCCCN1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637798169 373352314 /nfs/dbraw/zinc/35/23/14/373352314.db2.gz MSOKFJJPTLACES-GFCCVEGCSA-N 2 2 297.403 -1.782 20 0 CAADLP C[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637803716 373352421 /nfs/dbraw/zinc/35/24/21/373352421.db2.gz GWXFSMCVSTUMJO-UWVGGRQHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637814912 373354830 /nfs/dbraw/zinc/35/48/30/373354830.db2.gz QZVJYTGELFFAMM-GHMZBOCLSA-N 2 2 268.361 -1.078 20 0 CAADLP C[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637810205 373354918 /nfs/dbraw/zinc/35/49/18/373354918.db2.gz JZELKZWWKPXMNE-JTQLQIEISA-N 2 2 297.359 -2.645 20 0 CAADLP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637821639 373355110 /nfs/dbraw/zinc/35/51/10/373355110.db2.gz DHEOQFZDIZOIHA-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842788 373356017 /nfs/dbraw/zinc/35/60/17/373356017.db2.gz RYYLNZIXUJUJMW-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637858051 373356257 /nfs/dbraw/zinc/35/62/57/373356257.db2.gz UIBYPCJNGOAUDD-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637867183 373356783 /nfs/dbraw/zinc/35/67/83/373356783.db2.gz SLDPGICNRAPEAG-HBNTYKKESA-N 2 2 284.360 -1.619 20 0 CAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000637867181 373356944 /nfs/dbraw/zinc/35/69/44/373356944.db2.gz SLDPGICNRAPEAG-DCAQKATOSA-N 2 2 284.360 -1.619 20 0 CAADLP C[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637854306 373357163 /nfs/dbraw/zinc/35/71/63/373357163.db2.gz GIINZWNYZKYTOU-SCZZXKLOSA-N 2 2 254.334 -1.340 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000637864054 373357222 /nfs/dbraw/zinc/35/72/22/373357222.db2.gz KXHJACLDKMMDTL-LLVKDONJSA-N 3 2 255.366 -2.007 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000637864054 373357225 /nfs/dbraw/zinc/35/72/25/373357225.db2.gz KXHJACLDKMMDTL-LLVKDONJSA-N 3 2 255.366 -2.007 20 0 CAADLP C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637865055 373357290 /nfs/dbraw/zinc/35/72/90/373357290.db2.gz ZMYNPDMGBJDTTI-WDEREUQCSA-N 2 2 283.376 -2.092 20 0 CAADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637847416 373357393 /nfs/dbraw/zinc/35/73/93/373357393.db2.gz NPUCFBOTOFQHBM-ZJUUUORDSA-N 2 2 256.350 -1.094 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842793 373357547 /nfs/dbraw/zinc/35/75/47/373357547.db2.gz RYYLNZIXUJUJMW-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637858049 373357727 /nfs/dbraw/zinc/35/77/27/373357727.db2.gz UIBYPCJNGOAUDD-NXEZZACHSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637867180 373357904 /nfs/dbraw/zinc/35/79/04/373357904.db2.gz SLDPGICNRAPEAG-AXFHLTTASA-N 2 2 284.360 -1.619 20 0 CAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CCO1 ZINC000637867182 373357928 /nfs/dbraw/zinc/35/79/28/373357928.db2.gz SLDPGICNRAPEAG-GARJFASQSA-N 2 2 284.360 -1.619 20 0 CAADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637835684 373357962 /nfs/dbraw/zinc/35/79/62/373357962.db2.gz PYCKKUBCJRMBFD-WDEREUQCSA-N 2 2 268.361 -1.125 20 0 CAADLP C[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637835538 373358072 /nfs/dbraw/zinc/35/80/72/373358072.db2.gz HLMVZQYGDSRZSE-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638070049 373379046 /nfs/dbraw/zinc/37/90/46/373379046.db2.gz OTKNXGMCXHMVNH-UHFFFAOYSA-N 2 2 297.403 -1.828 20 0 CAADLP C[C@@]1(C(=O)NCC[NH+]2CCOCC2)C[NH2+]CCO1 ZINC000638047637 373373557 /nfs/dbraw/zinc/37/35/57/373373557.db2.gz ISLLKJVMEWCXOB-LBPRGKRZSA-N 2 2 257.334 -1.187 20 0 CAADLP C[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)N1CC[NH2+]CC1=O ZINC000638253078 373403223 /nfs/dbraw/zinc/40/32/23/373403223.db2.gz HUXLRICJLHRTRB-ZWNOBZJWSA-N 2 2 286.351 -1.033 20 0 CAADLP C[C@H](C(=O)N(C)C1CC([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638255768 373403471 /nfs/dbraw/zinc/40/34/71/373403471.db2.gz MJRMXPIUDVGQAZ-XNWIYYODSA-N 2 2 254.334 -1.245 20 0 CAADLP C[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1=O ZINC000638245323 373404078 /nfs/dbraw/zinc/40/40/78/373404078.db2.gz OTOFACCRHAMNQA-REIXXSIJSA-N 2 2 252.318 -1.859 20 0 CAADLP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638236026 373404190 /nfs/dbraw/zinc/40/41/90/373404190.db2.gz UEBFIPPHNFQXJR-AEJSXWLSSA-N 2 2 254.334 -1.245 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N1CC[NH2+]CC1=O ZINC000638246319 373404379 /nfs/dbraw/zinc/40/43/79/373404379.db2.gz BJQOFUALIWTBNB-GUBZILKMSA-N 2 2 272.324 -1.377 20 0 CAADLP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)N1CC[NH2+]CC1=O ZINC000638256506 373404405 /nfs/dbraw/zinc/40/44/05/373404405.db2.gz RKHNIGDGNULBDP-JGVFFNPUSA-N 2 2 278.303 -1.095 20 0 CAADLP C[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1=O ZINC000638264713 373404442 /nfs/dbraw/zinc/40/44/42/373404442.db2.gz JSTRJPCDDYILLC-GHMZBOCLSA-N 2 2 284.360 -1.699 20 0 CAADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)N1CC[NH2+]CC1=O ZINC000638276995 373406939 /nfs/dbraw/zinc/40/69/39/373406939.db2.gz WBBIIBPBUWLLPS-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](C(=O)NCC[N@@H+]1CCCOCC1)N1CC[NH2+]CC1=O ZINC000638295468 373408045 /nfs/dbraw/zinc/40/80/45/373408045.db2.gz UUJTUTUXVRTUBQ-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H](C(=O)NCC[N@H+]1CCCOCC1)N1CC[NH2+]CC1=O ZINC000638295468 373408053 /nfs/dbraw/zinc/40/80/53/373408053.db2.gz UUJTUTUXVRTUBQ-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)N1CC[NH2+]CC1=O ZINC000638295469 373409157 /nfs/dbraw/zinc/40/91/57/373409157.db2.gz UUJTUTUXVRTUBQ-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)N1CC[NH2+]CC1=O ZINC000638295469 373409162 /nfs/dbraw/zinc/40/91/62/373409162.db2.gz UUJTUTUXVRTUBQ-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H](C(=O)NCCOCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638290474 373409453 /nfs/dbraw/zinc/40/94/53/373409453.db2.gz GWBURQQJGGIKSC-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638407496 373419673 /nfs/dbraw/zinc/41/96/73/373419673.db2.gz AJDXNJJKACKNNR-UHFFFAOYSA-N 3 2 285.436 -1.109 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638407496 373419681 /nfs/dbraw/zinc/41/96/81/373419681.db2.gz AJDXNJJKACKNNR-UHFFFAOYSA-N 3 2 285.436 -1.109 20 0 CAADLP CCO[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000638389980 373420047 /nfs/dbraw/zinc/42/00/47/373420047.db2.gz JVQKFMKPXMKOTQ-QJPTWQEYSA-N 2 2 298.387 -1.371 20 0 CAADLP O=C(CN1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638413717 373421224 /nfs/dbraw/zinc/42/12/24/373421224.db2.gz DOCUNKPBJGTGQL-ZDUSSCGKSA-N 2 2 282.388 -1.175 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000638444879 373422670 /nfs/dbraw/zinc/42/26/70/373422670.db2.gz BTMLRGKCYWSNHB-IJLUTSLNSA-N 2 2 271.361 -1.125 20 0 CAADLP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638431840 373422756 /nfs/dbraw/zinc/42/27/56/373422756.db2.gz VHUTWPHZHRYSJX-IVZWLZJFSA-N 2 2 272.324 -1.296 20 0 CAADLP C[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1=O ZINC000638426541 373422796 /nfs/dbraw/zinc/42/27/96/373422796.db2.gz DJJOBABCWAKIKG-JBLZRFIASA-N 2 2 266.345 -1.325 20 0 CAADLP C[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638435033 373422954 /nfs/dbraw/zinc/42/29/54/373422954.db2.gz AMIDCOITLZUDID-SKDRFNHKSA-N 2 2 254.334 -1.325 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(O)C[NH2+]C1 ZINC000638444987 373423009 /nfs/dbraw/zinc/42/30/09/373423009.db2.gz DGFWBZFSAJSNGQ-JTQLQIEISA-N 2 2 273.333 -2.528 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000638444881 373423171 /nfs/dbraw/zinc/42/31/71/373423171.db2.gz BTMLRGKCYWSNHB-TUAOUCFPSA-N 2 2 271.361 -1.125 20 0 CAADLP C[C@H](C(=O)N1CC2CC1(C[NH3+])C2)N1CC[NH2+]CC1=O ZINC000638417707 373423553 /nfs/dbraw/zinc/42/35/53/373423553.db2.gz JEIBSQCHYIPZIG-TTXORMCVSA-N 2 2 266.345 -1.244 20 0 CAADLP C[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638435029 373423603 /nfs/dbraw/zinc/42/36/03/373423603.db2.gz AMIDCOITLZUDID-CABZTGNLSA-N 2 2 254.334 -1.325 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000638446941 373424533 /nfs/dbraw/zinc/42/45/33/373424533.db2.gz XCRGREGODZCKPG-WDEREUQCSA-N 2 2 289.401 -1.200 20 0 CAADLP CC[NH2+][C@H](C)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000638081855 373379522 /nfs/dbraw/zinc/37/95/22/373379522.db2.gz DHNPXJMNVATGOW-LLVKDONJSA-N 2 2 286.376 -1.451 20 0 CAADLP C[C@H](C(=O)NC[C@H](C)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638080183 373379842 /nfs/dbraw/zinc/37/98/42/373379842.db2.gz LNXWDRHBKMFASW-VHSXEESVSA-N 2 2 256.350 -1.127 20 0 CAADLP [NH3+][C@@H]1CC=C(C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000638085414 373379917 /nfs/dbraw/zinc/37/99/17/373379917.db2.gz YZGYNCPGRHSCCI-GFCCVEGCSA-N 2 2 296.371 -1.402 20 0 CAADLP COCC[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638091431 373380968 /nfs/dbraw/zinc/38/09/68/373380968.db2.gz NYQTUTVUQUZEEL-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638091431 373380981 /nfs/dbraw/zinc/38/09/81/373380981.db2.gz NYQTUTVUQUZEEL-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638089549 373381492 /nfs/dbraw/zinc/38/14/92/373381492.db2.gz BEYLJHYERRJJSM-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638089549 373381501 /nfs/dbraw/zinc/38/15/01/373381501.db2.gz BEYLJHYERRJJSM-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091254 373381958 /nfs/dbraw/zinc/38/19/58/373381958.db2.gz SBVZHQUWMWNYNY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091254 373381963 /nfs/dbraw/zinc/38/19/63/373381963.db2.gz SBVZHQUWMWNYNY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091253 373382661 /nfs/dbraw/zinc/38/26/61/373382661.db2.gz SBVZHQUWMWNYNY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638091253 373382667 /nfs/dbraw/zinc/38/26/67/373382667.db2.gz SBVZHQUWMWNYNY-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638089482 373382776 /nfs/dbraw/zinc/38/27/76/373382776.db2.gz AHOGAYXCRWEBHB-OUAUKWLOSA-N 2 2 257.334 -1.061 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638089482 373382781 /nfs/dbraw/zinc/38/27/81/373382781.db2.gz AHOGAYXCRWEBHB-OUAUKWLOSA-N 2 2 257.334 -1.061 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098515 373384268 /nfs/dbraw/zinc/38/42/68/373384268.db2.gz BGFJZTDMJMJFHO-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638098515 373384276 /nfs/dbraw/zinc/38/42/76/373384276.db2.gz BGFJZTDMJMJFHO-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCc1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000638114407 373384611 /nfs/dbraw/zinc/38/46/11/373384611.db2.gz IXZFFRBQCMWQEC-QMMMGPOBSA-N 2 2 251.290 -1.154 20 0 CAADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638100477 373384693 /nfs/dbraw/zinc/38/46/93/373384693.db2.gz ZJGVXXCBWSEPJQ-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638100477 373384700 /nfs/dbraw/zinc/38/47/00/373384700.db2.gz ZJGVXXCBWSEPJQ-NEPJUHHUSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](C(=O)NCc1[nH+]ccn1C)N1CC[NH2+]CC1=O ZINC000638102519 373384885 /nfs/dbraw/zinc/38/48/85/373384885.db2.gz IHKGYRLWVLENBA-SECBINFHSA-N 2 2 265.317 -1.143 20 0 CAADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638100479 373385276 /nfs/dbraw/zinc/38/52/76/373385276.db2.gz ZJGVXXCBWSEPJQ-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638100479 373385281 /nfs/dbraw/zinc/38/52/81/373385281.db2.gz ZJGVXXCBWSEPJQ-RYUDHWBXSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000638113934 373386016 /nfs/dbraw/zinc/38/60/16/373386016.db2.gz RBXMHWPRENYUGU-VIFPVBQESA-N 2 2 265.317 -1.111 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN1CC[NH2+]CC1 ZINC000638141374 373387400 /nfs/dbraw/zinc/38/74/00/373387400.db2.gz TUMKQFIXUTWSND-CYBMUJFWSA-N 2 2 283.420 -1.356 20 0 CAADLP C[C@H](C(=O)NC[C@H]([NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638155714 373392683 /nfs/dbraw/zinc/39/26/83/373392683.db2.gz YAMALEABKKYTAQ-SCZZXKLOSA-N 2 2 254.334 -1.340 20 0 CAADLP C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638173540 373394167 /nfs/dbraw/zinc/39/41/67/373394167.db2.gz YKSQALZVUOPUGV-UWVGGRQHSA-N 2 2 270.333 -2.007 20 0 CAADLP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638181896 373395987 /nfs/dbraw/zinc/39/59/87/373395987.db2.gz ZGLFQZCWZIBVKN-VWYCJHECSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N1CCC[N@H+](C)CC1)N1CC[NH2+]CC1=O ZINC000638168443 373396191 /nfs/dbraw/zinc/39/61/91/373396191.db2.gz FPQTYNVMCPQSRT-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H](C(=O)N1CCC[N@@H+](C)CC1)N1CC[NH2+]CC1=O ZINC000638168443 373396195 /nfs/dbraw/zinc/39/61/95/373396195.db2.gz FPQTYNVMCPQSRT-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638213116 373397942 /nfs/dbraw/zinc/39/79/42/373397942.db2.gz DYXCYWCPRFBKAP-MXWKQRLJSA-N 2 2 266.345 -1.516 20 0 CAADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638202874 373398785 /nfs/dbraw/zinc/39/87/85/373398785.db2.gz RPHYQNMRVLSLAL-OUAUKWLOSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638202871 373398831 /nfs/dbraw/zinc/39/88/31/373398831.db2.gz RPHYQNMRVLSLAL-GMTAPVOTSA-N 2 2 268.361 -1.079 20 0 CAADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638223619 373400801 /nfs/dbraw/zinc/40/08/01/373400801.db2.gz XMFZFZQYFSTCHS-VWYCJHECSA-N 2 2 286.351 -1.035 20 0 CAADLP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)C[NH2+]CCO1 ZINC000638228043 373400846 /nfs/dbraw/zinc/40/08/46/373400846.db2.gz WIOBANSEPUFDPH-GFCCVEGCSA-N 2 2 257.334 -1.499 20 0 CAADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CC[NH2+]CC1=O ZINC000638227870 373400926 /nfs/dbraw/zinc/40/09/26/373400926.db2.gz BOSCAOUNIBONOS-WOPDTQHZSA-N 2 2 296.371 -1.604 20 0 CAADLP C[NH2+]CCOCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638574357 373439032 /nfs/dbraw/zinc/43/90/32/373439032.db2.gz CUMCACZDDQUVSD-SNVBAGLBSA-N 2 2 272.349 -1.841 20 0 CAADLP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638594854 373441237 /nfs/dbraw/zinc/44/12/37/373441237.db2.gz SVQJZNGWHZVGJJ-LLVKDONJSA-N 2 2 286.376 -1.499 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638608552 373441585 /nfs/dbraw/zinc/44/15/85/373441585.db2.gz BOXSKHKQHAYXAD-LOWVWBTDSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638608552 373441597 /nfs/dbraw/zinc/44/15/97/373441597.db2.gz BOXSKHKQHAYXAD-LOWVWBTDSA-N 2 2 269.345 -1.331 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638609201 373442138 /nfs/dbraw/zinc/44/21/38/373442138.db2.gz FMEIVJRFUAVJMK-PWSUYJOCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638609201 373442150 /nfs/dbraw/zinc/44/21/50/373442150.db2.gz FMEIVJRFUAVJMK-PWSUYJOCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638609101 373442996 /nfs/dbraw/zinc/44/29/96/373442996.db2.gz DSGAJVDPKIRNDE-QWRGUYRKSA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638609101 373443004 /nfs/dbraw/zinc/44/30/04/373443004.db2.gz DSGAJVDPKIRNDE-QWRGUYRKSA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000638609919 373443022 /nfs/dbraw/zinc/44/30/22/373443022.db2.gz HQEPKBLLOITYNJ-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H](C(=O)NC[C@H]1COCCN1C)N1CC[NH2+]CC1=O ZINC000638608811 373443554 /nfs/dbraw/zinc/44/35/54/373443554.db2.gz BXGMJQIAVGRAOS-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638608811 373443558 /nfs/dbraw/zinc/44/35/58/373443558.db2.gz BXGMJQIAVGRAOS-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638608811 373443564 /nfs/dbraw/zinc/44/35/64/373443564.db2.gz BXGMJQIAVGRAOS-MNOVXSKESA-N 2 2 284.360 -1.747 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612100 373444449 /nfs/dbraw/zinc/44/44/49/373444449.db2.gz SJDNXUICQYXALI-PWSUYJOCSA-N 2 2 286.376 -1.467 20 0 CAADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612100 373444460 /nfs/dbraw/zinc/44/44/60/373444460.db2.gz SJDNXUICQYXALI-PWSUYJOCSA-N 2 2 286.376 -1.467 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615497 373445721 /nfs/dbraw/zinc/44/57/21/373445721.db2.gz CWQAPBDWZXWNAA-LLVKDONJSA-N 2 2 286.376 -1.453 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638615497 373445728 /nfs/dbraw/zinc/44/57/28/373445728.db2.gz CWQAPBDWZXWNAA-LLVKDONJSA-N 2 2 286.376 -1.453 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638612608 373446151 /nfs/dbraw/zinc/44/61/51/373446151.db2.gz VTEOPWPCLBOMAA-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638612608 373446156 /nfs/dbraw/zinc/44/61/56/373446156.db2.gz VTEOPWPCLBOMAA-SNVBAGLBSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638613578 373446373 /nfs/dbraw/zinc/44/63/73/373446373.db2.gz YRMAXKMKNQGFHM-VHSXEESVSA-N 2 2 270.333 -2.089 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638611991 373446444 /nfs/dbraw/zinc/44/64/44/373446444.db2.gz RKHWJSSYJGGBST-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638611991 373446445 /nfs/dbraw/zinc/44/64/45/373446445.db2.gz RKHWJSSYJGGBST-NWDGAFQWSA-N 2 2 298.387 -1.309 20 0 CAADLP C[C@H](C(=O)NC1(C[NH3+])CCOCC1)N1CC[NH2+]CC1=O ZINC000638632760 373447444 /nfs/dbraw/zinc/44/74/44/373447444.db2.gz STHCJODAENHIIR-SNVBAGLBSA-N 2 2 284.360 -1.569 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624241 373448019 /nfs/dbraw/zinc/44/80/19/373448019.db2.gz PSWRCWQEBVVMTL-SECBINFHSA-N 2 2 256.306 -2.477 20 0 CAADLP C[C@@H]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C[NH2+]1 ZINC000638653400 373452508 /nfs/dbraw/zinc/45/25/08/373452508.db2.gz FCMABKVTSCMXFU-NXEZZACHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C[NH2+]1 ZINC000638653402 373452555 /nfs/dbraw/zinc/45/25/55/373452555.db2.gz FCMABKVTSCMXFU-VHSXEESVSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H](C(=O)NCCOCCC[NH3+])N1CC[NH2+]CC1=O ZINC000638663184 373453304 /nfs/dbraw/zinc/45/33/04/373453304.db2.gz IYXAYPLWFDDLBB-JTQLQIEISA-N 2 2 272.349 -1.712 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCOCC[NH3+] ZINC000638674544 373455275 /nfs/dbraw/zinc/45/52/75/373455275.db2.gz MLEHSEUVBGUZSZ-UHFFFAOYSA-N 2 2 288.392 -1.124 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCOCC[NH3+] ZINC000638674544 373455278 /nfs/dbraw/zinc/45/52/78/373455278.db2.gz MLEHSEUVBGUZSZ-UHFFFAOYSA-N 2 2 288.392 -1.124 20 0 CAADLP C[C@H](C(=O)N(C)CCOCC[NH3+])N1CC[NH2+]CC1=O ZINC000638670669 373455404 /nfs/dbraw/zinc/45/54/04/373455404.db2.gz PBIXRARPTYJVAH-SNVBAGLBSA-N 2 2 272.349 -1.760 20 0 CAADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696825 373458804 /nfs/dbraw/zinc/45/88/04/373458804.db2.gz FCFYPDAOSYJHRP-KXUCPTDWSA-N 2 2 256.350 -1.012 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791310 373477547 /nfs/dbraw/zinc/47/75/47/373477547.db2.gz KLGYTWICUQBIEY-SNVBAGLBSA-N 2 2 256.350 -1.079 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638791310 373477552 /nfs/dbraw/zinc/47/75/52/373477552.db2.gz KLGYTWICUQBIEY-SNVBAGLBSA-N 2 2 256.350 -1.079 20 0 CAADLP C[NH2+]CCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000076304340 373496948 /nfs/dbraw/zinc/49/69/48/373496948.db2.gz KCXAMKXKDRMIDJ-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000563888169 373504132 /nfs/dbraw/zinc/50/41/32/373504132.db2.gz NZBLAWZMYKXRNE-SECBINFHSA-N 2 2 272.374 -1.461 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000366899033 373530754 /nfs/dbraw/zinc/53/07/54/373530754.db2.gz ASBHIHZPHVMIQQ-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000366899033 373530761 /nfs/dbraw/zinc/53/07/61/373530761.db2.gz ASBHIHZPHVMIQQ-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000638926884 373483354 /nfs/dbraw/zinc/48/33/54/373483354.db2.gz ONVMRLRZJUEXET-MXWKQRLJSA-N 2 2 266.345 -1.231 20 0 CAADLP C[C@@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638929586 373483918 /nfs/dbraw/zinc/48/39/18/373483918.db2.gz GVQZWRXQYLXISS-UTLUCORTSA-N 2 2 254.334 -1.245 20 0 CAADLP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638929584 373484091 /nfs/dbraw/zinc/48/40/91/373484091.db2.gz GVQZWRXQYLXISS-OPRDCNLKSA-N 2 2 254.334 -1.245 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000617765572 373587272 /nfs/dbraw/zinc/58/72/72/373587272.db2.gz HGXPBFOIEXKMML-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000617765572 373587281 /nfs/dbraw/zinc/58/72/81/373587281.db2.gz HGXPBFOIEXKMML-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(N)=O ZINC000617768763 373587452 /nfs/dbraw/zinc/58/74/52/373587452.db2.gz TXMRKSTXOYBHEY-UHFFFAOYSA-N 2 2 259.354 -1.346 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(N)=O ZINC000617768763 373587463 /nfs/dbraw/zinc/58/74/63/373587463.db2.gz TXMRKSTXOYBHEY-UHFFFAOYSA-N 2 2 259.354 -1.346 20 0 CAADLP Nc1nc(N2CC[NH+](CCCO)CC2)nc(N)[nH+]1 ZINC000623911495 373591162 /nfs/dbraw/zinc/59/11/62/373591162.db2.gz CHWXURVQFCGDHU-UHFFFAOYSA-N 2 2 253.310 -1.799 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000168025476 373592915 /nfs/dbraw/zinc/59/29/15/373592915.db2.gz TVLCSMQCDKWJIN-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000168025476 373592926 /nfs/dbraw/zinc/59/29/26/373592926.db2.gz TVLCSMQCDKWJIN-SRVKXCTJSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582230798 373593359 /nfs/dbraw/zinc/59/33/59/373593359.db2.gz DCQYZRFIGPNINQ-STQMWFEESA-N 2 2 299.419 -1.009 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582230798 373593364 /nfs/dbraw/zinc/59/33/64/373593364.db2.gz DCQYZRFIGPNINQ-STQMWFEESA-N 2 2 299.419 -1.009 20 0 CAADLP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000574449974 335020547 /nfs/dbraw/zinc/02/05/47/335020547.db2.gz WCCCYTIWAIEAPH-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H](C[NH3+])[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000346598757 373537341 /nfs/dbraw/zinc/53/73/41/373537341.db2.gz YFJTYGFBOPEKLK-SECBINFHSA-N 2 2 294.359 -1.287 20 0 CAADLP C[C@H](C[NH3+])[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000346598757 373537349 /nfs/dbraw/zinc/53/73/49/373537349.db2.gz YFJTYGFBOPEKLK-SECBINFHSA-N 2 2 294.359 -1.287 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582230795 373594347 /nfs/dbraw/zinc/59/43/47/373594347.db2.gz DCQYZRFIGPNINQ-CHWSQXEVSA-N 2 2 299.419 -1.009 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582230795 373594354 /nfs/dbraw/zinc/59/43/54/373594354.db2.gz DCQYZRFIGPNINQ-CHWSQXEVSA-N 2 2 299.419 -1.009 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348176961 373546083 /nfs/dbraw/zinc/54/60/83/373546083.db2.gz DWFPMQHDYIDDKJ-SMDDNHRTSA-N 2 2 298.387 -1.539 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348176961 373546090 /nfs/dbraw/zinc/54/60/90/373546090.db2.gz DWFPMQHDYIDDKJ-SMDDNHRTSA-N 2 2 298.387 -1.539 20 0 CAADLP C[N@@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000583500570 373550587 /nfs/dbraw/zinc/55/05/87/373550587.db2.gz JAZLNGWKZSAEBL-VIFPVBQESA-N 2 2 281.316 -1.950 20 0 CAADLP C[N@H+]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000583500570 373550595 /nfs/dbraw/zinc/55/05/95/373550595.db2.gz JAZLNGWKZSAEBL-VIFPVBQESA-N 2 2 281.316 -1.950 20 0 CAADLP CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000583573380 373559228 /nfs/dbraw/zinc/55/92/28/373559228.db2.gz SCLCAUVWLUNLER-NEPJUHHUSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000583573380 373559233 /nfs/dbraw/zinc/55/92/33/373559233.db2.gz SCLCAUVWLUNLER-NEPJUHHUSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000583573380 373559241 /nfs/dbraw/zinc/55/92/41/373559241.db2.gz SCLCAUVWLUNLER-NEPJUHHUSA-N 2 2 273.377 -1.007 20 0 CAADLP CNC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000583573380 373559246 /nfs/dbraw/zinc/55/92/46/373559246.db2.gz SCLCAUVWLUNLER-NEPJUHHUSA-N 2 2 273.377 -1.007 20 0 CAADLP CN(Cc1[nH+]ccn1C)C(=O)CN1CC[NH2+]CC1=O ZINC000583631809 373572998 /nfs/dbraw/zinc/57/29/98/373572998.db2.gz CYNJSQHTOPKBNX-UHFFFAOYSA-N 2 2 265.317 -1.190 20 0 CAADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000639871176 373625425 /nfs/dbraw/zinc/62/54/25/373625425.db2.gz YTDRJBJVYDHPLA-GFCCVEGCSA-N 2 2 270.377 -1.631 20 0 CAADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639871176 373625432 /nfs/dbraw/zinc/62/54/32/373625432.db2.gz YTDRJBJVYDHPLA-GFCCVEGCSA-N 2 2 270.377 -1.631 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623936110 373630787 /nfs/dbraw/zinc/63/07/87/373630787.db2.gz CGYAYCZKXXQHKN-UHFFFAOYSA-N 2 2 267.337 -1.359 20 0 CAADLP CC1(C)COCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623936110 373630794 /nfs/dbraw/zinc/63/07/94/373630794.db2.gz CGYAYCZKXXQHKN-UHFFFAOYSA-N 2 2 267.337 -1.359 20 0 CAADLP C[NH+]1CCN(c2ncc(C[NH+]3C[C@H](O)[C@@H](O)C3)cn2)CC1 ZINC000628414721 373633684 /nfs/dbraw/zinc/63/36/84/373633684.db2.gz HNCUCYGCOAWDDI-STQMWFEESA-N 2 2 293.371 -1.234 20 0 CAADLP Nc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N)[nH+]1 ZINC000623937020 373634978 /nfs/dbraw/zinc/63/49/78/373634978.db2.gz RLTLDATWOCSVIM-BDAKNGLRSA-N 2 2 279.348 -1.268 20 0 CAADLP Cn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000583263743 373637980 /nfs/dbraw/zinc/63/79/80/373637980.db2.gz PEGKWKNEKJUQGK-NSHDSACASA-N 2 2 281.360 -1.841 20 0 CAADLP Cn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000583263743 373637984 /nfs/dbraw/zinc/63/79/84/373637984.db2.gz PEGKWKNEKJUQGK-NSHDSACASA-N 2 2 281.360 -1.841 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000583757765 373639985 /nfs/dbraw/zinc/63/99/85/373639985.db2.gz GRBZTDSLWXJSFB-GFCCVEGCSA-N 3 2 258.366 -1.680 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000583757765 373639988 /nfs/dbraw/zinc/63/99/88/373639988.db2.gz GRBZTDSLWXJSFB-GFCCVEGCSA-N 3 2 258.366 -1.680 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC000640064380 373649950 /nfs/dbraw/zinc/64/99/50/373649950.db2.gz URCHREXKHIDHQD-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC000640064380 373649956 /nfs/dbraw/zinc/64/99/56/373649956.db2.gz URCHREXKHIDHQD-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CC[C@@H](C(N)=O)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059045 373650306 /nfs/dbraw/zinc/65/03/06/373650306.db2.gz OIMYCXTYCAUTBQ-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP CC[C@@H](C(N)=O)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059045 373650310 /nfs/dbraw/zinc/65/03/10/373650310.db2.gz OIMYCXTYCAUTBQ-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643472970 373655344 /nfs/dbraw/zinc/65/53/44/373655344.db2.gz YWSAUJXULVTKHW-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154677 373597916 /nfs/dbraw/zinc/59/79/16/373597916.db2.gz AWNZPESPLOXGGI-GXFFZTMASA-N 2 2 284.360 -1.027 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154677 373597921 /nfs/dbraw/zinc/59/79/21/373597921.db2.gz AWNZPESPLOXGGI-GXFFZTMASA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154677 373597925 /nfs/dbraw/zinc/59/79/25/373597925.db2.gz AWNZPESPLOXGGI-GXFFZTMASA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154677 373597929 /nfs/dbraw/zinc/59/79/29/373597929.db2.gz AWNZPESPLOXGGI-GXFFZTMASA-N 2 2 284.360 -1.027 20 0 CAADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563958339 373598069 /nfs/dbraw/zinc/59/80/69/373598069.db2.gz QWJFIIRDAWEAOE-GHMZBOCLSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C1NCC[C@H]1[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563958339 373598071 /nfs/dbraw/zinc/59/80/71/373598071.db2.gz QWJFIIRDAWEAOE-GHMZBOCLSA-N 2 2 266.345 -1.229 20 0 CAADLP CN(C)c1[nH+]cc(CNc2nc(N)[nH+]c(N)n2)n1C ZINC000623967666 373598429 /nfs/dbraw/zinc/59/84/29/373598429.db2.gz FMZOJDPJHWEOQV-UHFFFAOYSA-N 2 2 263.309 -1.470 20 0 CAADLP CN(C)c1[nH+]cc(CNc2nc(N)nc(N)[nH+]2)n1C ZINC000623967666 373598434 /nfs/dbraw/zinc/59/84/34/373598434.db2.gz FMZOJDPJHWEOQV-UHFFFAOYSA-N 2 2 263.309 -1.470 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154719 373598524 /nfs/dbraw/zinc/59/85/24/373598524.db2.gz AWNZPESPLOXGGI-ZWNOBZJWSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154719 373598527 /nfs/dbraw/zinc/59/85/27/373598527.db2.gz AWNZPESPLOXGGI-ZWNOBZJWSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154719 373598531 /nfs/dbraw/zinc/59/85/31/373598531.db2.gz AWNZPESPLOXGGI-ZWNOBZJWSA-N 2 2 284.360 -1.027 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000565154719 373598535 /nfs/dbraw/zinc/59/85/35/373598535.db2.gz AWNZPESPLOXGGI-ZWNOBZJWSA-N 2 2 284.360 -1.027 20 0 CAADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000563960742 373599525 /nfs/dbraw/zinc/59/95/25/373599525.db2.gz VPZLTNRHSCQYDQ-SDDRHHMPSA-N 2 2 299.371 -1.195 20 0 CAADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000563960742 373599535 /nfs/dbraw/zinc/59/95/35/373599535.db2.gz VPZLTNRHSCQYDQ-SDDRHHMPSA-N 2 2 299.371 -1.195 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850730 373614281 /nfs/dbraw/zinc/61/42/81/373614281.db2.gz WUXUZMITAGIJCN-RWMBFGLXSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850730 373614291 /nfs/dbraw/zinc/61/42/91/373614291.db2.gz WUXUZMITAGIJCN-RWMBFGLXSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850730 373614297 /nfs/dbraw/zinc/61/42/97/373614297.db2.gz WUXUZMITAGIJCN-RWMBFGLXSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850730 373614303 /nfs/dbraw/zinc/61/43/03/373614303.db2.gz WUXUZMITAGIJCN-RWMBFGLXSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850726 373615214 /nfs/dbraw/zinc/61/52/14/373615214.db2.gz WUXUZMITAGIJCN-AVGNSLFASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850726 373615220 /nfs/dbraw/zinc/61/52/20/373615220.db2.gz WUXUZMITAGIJCN-AVGNSLFASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850726 373615225 /nfs/dbraw/zinc/61/52/25/373615225.db2.gz WUXUZMITAGIJCN-AVGNSLFASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850726 373615231 /nfs/dbraw/zinc/61/52/31/373615231.db2.gz WUXUZMITAGIJCN-AVGNSLFASA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850724 373615340 /nfs/dbraw/zinc/61/53/40/373615340.db2.gz WUXUZMITAGIJCN-AGIUHOORSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850724 373615345 /nfs/dbraw/zinc/61/53/45/373615345.db2.gz WUXUZMITAGIJCN-AGIUHOORSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850724 373615352 /nfs/dbraw/zinc/61/53/52/373615352.db2.gz WUXUZMITAGIJCN-AGIUHOORSA-N 2 2 276.377 -1.257 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850724 373615355 /nfs/dbraw/zinc/61/53/55/373615355.db2.gz WUXUZMITAGIJCN-AGIUHOORSA-N 2 2 276.377 -1.257 20 0 CAADLP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000627385382 373666291 /nfs/dbraw/zinc/66/62/91/373666291.db2.gz IZRCOHONQKWQGA-LLVKDONJSA-N 2 2 297.359 -1.260 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097986 373668968 /nfs/dbraw/zinc/66/89/68/373668968.db2.gz DQGDLZNPTQPABI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097986 373668974 /nfs/dbraw/zinc/66/89/74/373668974.db2.gz DQGDLZNPTQPABI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097986 373668976 /nfs/dbraw/zinc/66/89/76/373668976.db2.gz DQGDLZNPTQPABI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000564097986 373668980 /nfs/dbraw/zinc/66/89/80/373668980.db2.gz DQGDLZNPTQPABI-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@H]([C@H](C)Nc1nc(N)[nH+]c(N)n1)[NH+]1CCOCC1 ZINC000623942763 373676554 /nfs/dbraw/zinc/67/65/54/373676554.db2.gz SIBTVCUYCVXQRU-JGVFFNPUSA-N 2 2 267.337 -1.360 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)CO)C[C@H](C)O1 ZINC000571869825 373678976 /nfs/dbraw/zinc/67/89/76/373678976.db2.gz UBOGGBLCCQXXLL-KXNHARMFSA-N 2 2 262.350 -1.601 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)CO)C[C@H](C)O1 ZINC000571869825 373678986 /nfs/dbraw/zinc/67/89/86/373678986.db2.gz UBOGGBLCCQXXLL-KXNHARMFSA-N 2 2 262.350 -1.601 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000571880256 373679075 /nfs/dbraw/zinc/67/90/75/373679075.db2.gz BVIFBXUTQJMBMV-JTQLQIEISA-N 2 2 270.333 -2.087 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000262263471 373682596 /nfs/dbraw/zinc/68/25/96/373682596.db2.gz JQDKJHKCEDQXJA-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000262263471 373682602 /nfs/dbraw/zinc/68/26/02/373682602.db2.gz JQDKJHKCEDQXJA-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[C@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1[NH3+] ZINC000262043326 373683369 /nfs/dbraw/zinc/68/33/69/373683369.db2.gz PLSYBGPLVDMMLW-WPRPVWTQSA-N 2 2 252.318 -1.137 20 0 CAADLP C[C@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1[NH3+] ZINC000262043326 373683376 /nfs/dbraw/zinc/68/33/76/373683376.db2.gz PLSYBGPLVDMMLW-WPRPVWTQSA-N 2 2 252.318 -1.137 20 0 CAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H](C)[NH2+]1 ZINC000423671685 373693656 /nfs/dbraw/zinc/69/36/56/373693656.db2.gz CMHFXMUSWGPZCA-PHIMTYICSA-N 2 2 268.361 -1.031 20 0 CAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000515639295 373723073 /nfs/dbraw/zinc/72/30/73/373723073.db2.gz DXDXGEKCXFCJNU-JTQLQIEISA-N 2 2 265.379 -1.420 20 0 CAADLP CNS(=O)(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515639295 373723081 /nfs/dbraw/zinc/72/30/81/373723081.db2.gz DXDXGEKCXFCJNU-JTQLQIEISA-N 2 2 265.379 -1.420 20 0 CAADLP CNS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515639296 373724613 /nfs/dbraw/zinc/72/46/13/373724613.db2.gz DXDXGEKCXFCJNU-SNVBAGLBSA-N 2 2 265.379 -1.420 20 0 CAADLP CNS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515639296 373724617 /nfs/dbraw/zinc/72/46/17/373724617.db2.gz DXDXGEKCXFCJNU-SNVBAGLBSA-N 2 2 265.379 -1.420 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626934197 373728039 /nfs/dbraw/zinc/72/80/39/373728039.db2.gz CKEFFUFCSHGNNE-VXGBXAGGSA-N 2 2 286.376 -1.005 20 0 CAADLP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000626918274 373728424 /nfs/dbraw/zinc/72/84/24/373728424.db2.gz WOVSACKINKWNPS-LBPRGKRZSA-N 2 2 286.376 -1.004 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626934181 373729298 /nfs/dbraw/zinc/72/92/98/373729298.db2.gz CKEFFUFCSHGNNE-RYUDHWBXSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)COC1C[NH2+]C1 ZINC000430756999 373740255 /nfs/dbraw/zinc/74/02/55/373740255.db2.gz DSZJMXCSMZOWQD-JTQLQIEISA-N 2 2 257.334 -1.188 20 0 CAADLP [NH3+]CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000572481466 373748186 /nfs/dbraw/zinc/74/81/86/373748186.db2.gz HAOUGHRADFPMCG-UHFFFAOYSA-N 2 2 254.334 -1.385 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000628918577 373751532 /nfs/dbraw/zinc/75/15/32/373751532.db2.gz NJVNEUBFAXSHEL-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000628918577 373751537 /nfs/dbraw/zinc/75/15/37/373751537.db2.gz NJVNEUBFAXSHEL-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628918577 373751540 /nfs/dbraw/zinc/75/15/40/373751540.db2.gz NJVNEUBFAXSHEL-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628918577 373751542 /nfs/dbraw/zinc/75/15/42/373751542.db2.gz NJVNEUBFAXSHEL-WDEREUQCSA-N 2 2 257.334 -1.236 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000628917003 373751689 /nfs/dbraw/zinc/75/16/89/373751689.db2.gz IPGOMKTYWNQWAC-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000628917003 373751692 /nfs/dbraw/zinc/75/16/92/373751692.db2.gz IPGOMKTYWNQWAC-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000628917003 373751695 /nfs/dbraw/zinc/75/16/95/373751695.db2.gz IPGOMKTYWNQWAC-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628917003 373751700 /nfs/dbraw/zinc/75/17/00/373751700.db2.gz IPGOMKTYWNQWAC-QWHCGFSZSA-N 2 2 282.388 -1.177 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172698 373758441 /nfs/dbraw/zinc/75/84/41/373758441.db2.gz HYMWLYOGJSNFGE-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172698 373758447 /nfs/dbraw/zinc/75/84/47/373758447.db2.gz HYMWLYOGJSNFGE-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629172698 373758456 /nfs/dbraw/zinc/75/84/56/373758456.db2.gz HYMWLYOGJSNFGE-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629172698 373758464 /nfs/dbraw/zinc/75/84/64/373758464.db2.gz HYMWLYOGJSNFGE-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756942 373769117 /nfs/dbraw/zinc/76/91/17/373769117.db2.gz LFLOWPLYIGAKJY-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000442756942 373769121 /nfs/dbraw/zinc/76/91/21/373769121.db2.gz LFLOWPLYIGAKJY-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](CCO)CC1 ZINC000641261390 373802548 /nfs/dbraw/zinc/80/25/48/373802548.db2.gz XKWGKWLEVVDCER-UHFFFAOYSA-N 2 2 288.373 -1.177 20 0 CAADLP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641425414 373804059 /nfs/dbraw/zinc/80/40/59/373804059.db2.gz JGBJEOSQINTNJZ-NSHDSACASA-N 2 2 288.373 -1.131 20 0 CAADLP C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641425414 373804065 /nfs/dbraw/zinc/80/40/65/373804065.db2.gz JGBJEOSQINTNJZ-NSHDSACASA-N 2 2 288.373 -1.131 20 0 CAADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@H](CO)C1 ZINC000641621410 373810906 /nfs/dbraw/zinc/81/09/06/373810906.db2.gz PZEHMFVIUIGNHZ-NSHDSACASA-N 2 2 288.373 -1.179 20 0 CAADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@H](CO)C1 ZINC000641621410 373810913 /nfs/dbraw/zinc/81/09/13/373810913.db2.gz PZEHMFVIUIGNHZ-NSHDSACASA-N 2 2 288.373 -1.179 20 0 CAADLP C[N@H+](CCCS(N)(=O)=O)CC(=O)N1CC[NH2+]CC1 ZINC000641796948 373814010 /nfs/dbraw/zinc/81/40/10/373814010.db2.gz NJISLQVSASPJCO-UHFFFAOYSA-N 2 2 278.378 -1.971 20 0 CAADLP C[N@@H+](CCCS(N)(=O)=O)CC(=O)N1CC[NH2+]CC1 ZINC000641796948 373814024 /nfs/dbraw/zinc/81/40/24/373814024.db2.gz NJISLQVSASPJCO-UHFFFAOYSA-N 2 2 278.378 -1.971 20 0 CAADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000641824468 373814373 /nfs/dbraw/zinc/81/43/73/373814373.db2.gz JRSVWNZXBPKPQT-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000641824468 373814380 /nfs/dbraw/zinc/81/43/80/373814380.db2.gz JRSVWNZXBPKPQT-UHFFFAOYSA-N 2 2 268.361 -1.029 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094948 373839179 /nfs/dbraw/zinc/83/91/79/373839179.db2.gz QKQSMJCSPBEZAF-ZNSHCXBVSA-N 2 2 254.334 -1.166 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094948 373839190 /nfs/dbraw/zinc/83/91/90/373839190.db2.gz QKQSMJCSPBEZAF-ZNSHCXBVSA-N 2 2 254.334 -1.166 20 0 CAADLP CC[C@@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000152925730 373819194 /nfs/dbraw/zinc/81/91/94/373819194.db2.gz SUKOEPBWOAZQJX-WDEREUQCSA-N 2 2 259.350 -1.125 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623600686 373824794 /nfs/dbraw/zinc/82/47/94/373824794.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623600686 373824807 /nfs/dbraw/zinc/82/48/07/373824807.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623600686 373824814 /nfs/dbraw/zinc/82/48/14/373824814.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623600686 373824820 /nfs/dbraw/zinc/82/48/20/373824820.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623600685 373825965 /nfs/dbraw/zinc/82/59/65/373825965.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623600685 373825971 /nfs/dbraw/zinc/82/59/71/373825971.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623600685 373825976 /nfs/dbraw/zinc/82/59/76/373825976.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 2 299.419 -1.138 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623600685 373825982 /nfs/dbraw/zinc/82/59/82/373825982.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 2 299.419 -1.138 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626969965 373828070 /nfs/dbraw/zinc/82/80/70/373828070.db2.gz IRPDZHQLAMSTSP-VXGBXAGGSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626969965 373828075 /nfs/dbraw/zinc/82/80/75/373828075.db2.gz IRPDZHQLAMSTSP-VXGBXAGGSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626972926 373828269 /nfs/dbraw/zinc/82/82/69/373828269.db2.gz RDACCWVTNJHDSP-OLZOCXBDSA-N 2 2 299.419 -1.090 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512165484 373829121 /nfs/dbraw/zinc/82/91/21/373829121.db2.gz LFDXMQCTWJRKMZ-FDYHWXHSSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512165484 373829125 /nfs/dbraw/zinc/82/91/25/373829125.db2.gz LFDXMQCTWJRKMZ-FDYHWXHSSA-N 2 2 274.361 -1.241 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626969963 373829153 /nfs/dbraw/zinc/82/91/53/373829153.db2.gz IRPDZHQLAMSTSP-RYUDHWBXSA-N 2 2 286.376 -1.005 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626969963 373829158 /nfs/dbraw/zinc/82/91/58/373829158.db2.gz IRPDZHQLAMSTSP-RYUDHWBXSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000627062817 373836486 /nfs/dbraw/zinc/83/64/86/373836486.db2.gz DWSHJQXICNVHSE-CYBMUJFWSA-N 2 2 299.419 -1.089 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000627062817 373836497 /nfs/dbraw/zinc/83/64/97/373836497.db2.gz DWSHJQXICNVHSE-CYBMUJFWSA-N 2 2 299.419 -1.089 20 0 CAADLP C[C@H](C[NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606139 373778587 /nfs/dbraw/zinc/77/85/87/373778587.db2.gz DDGJAZFEOPRFBX-GHMZBOCLSA-N 2 2 259.350 -1.267 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000629606335 373779096 /nfs/dbraw/zinc/77/90/96/373779096.db2.gz FWEVROGLLOMKDY-NWDGAFQWSA-N 2 2 287.360 -1.874 20 0 CAADLP C[C@@H](C[NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606143 373779352 /nfs/dbraw/zinc/77/93/52/373779352.db2.gz DDGJAZFEOPRFBX-QWRGUYRKSA-N 2 2 259.350 -1.267 20 0 CAADLP OC[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629596580 373779622 /nfs/dbraw/zinc/77/96/22/373779622.db2.gz SBJAABUICVPPGQ-UONOGXRCSA-N 2 2 287.404 -1.274 20 0 CAADLP OC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629596577 373779670 /nfs/dbraw/zinc/77/96/70/373779670.db2.gz SBJAABUICVPPGQ-KBPBESRZSA-N 2 2 287.404 -1.274 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C)C[NH2+]C1 ZINC000629606891 373780632 /nfs/dbraw/zinc/78/06/32/373780632.db2.gz OUKGYFXCUILMQJ-LLVKDONJSA-N 2 2 271.361 -1.253 20 0 CAADLP COCC[NH2+]CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606869 373780790 /nfs/dbraw/zinc/78/07/90/373780790.db2.gz NUSSSBRVSXQVPT-GFCCVEGCSA-N 2 2 289.376 -1.626 20 0 CAADLP C[C@@H]([NH3+])CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607028 373780836 /nfs/dbraw/zinc/78/08/36/373780836.db2.gz JGPYIBLYIFRZMC-MNOVXSKESA-N 2 2 259.350 -1.125 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC[NH3+] ZINC000629606430 373780856 /nfs/dbraw/zinc/78/08/56/373780856.db2.gz DETWOGVWZHVOHE-NSHDSACASA-N 2 2 259.350 -1.123 20 0 CAADLP C[C@H]([NH3+])CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607029 373780928 /nfs/dbraw/zinc/78/09/28/373780928.db2.gz JGPYIBLYIFRZMC-QWRGUYRKSA-N 2 2 259.350 -1.125 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC[NH3+] ZINC000629606429 373782413 /nfs/dbraw/zinc/78/24/13/373782413.db2.gz DETWOGVWZHVOHE-LLVKDONJSA-N 2 2 259.350 -1.123 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000629805227 373786704 /nfs/dbraw/zinc/78/67/04/373786704.db2.gz LJIRYFJYOZOMBP-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000629813023 373788558 /nfs/dbraw/zinc/78/85/58/373788558.db2.gz ZCJZCGZSZOFUSI-NSHDSACASA-N 2 2 286.376 -1.681 20 0 CAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000629820126 373791162 /nfs/dbraw/zinc/79/11/62/373791162.db2.gz XEXPWWREMBAJTG-UHFFFAOYSA-N 2 2 295.343 -1.341 20 0 CAADLP O=C(CNC(=O)C[C@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000166086501 373793262 /nfs/dbraw/zinc/79/32/62/373793262.db2.gz JADFYPIJMVBHJI-GFCCVEGCSA-N 2 2 298.387 -1.307 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249680 373886113 /nfs/dbraw/zinc/88/61/13/373886113.db2.gz YNNIEAPEFXSQPW-VXGBXAGGSA-N 2 2 286.376 -1.317 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCCCn2cncn2)[C@H](C[NH3+])C1 ZINC000627256506 373887958 /nfs/dbraw/zinc/88/79/58/373887958.db2.gz NXROHTOPEAKRJQ-LLVKDONJSA-N 2 2 281.364 -1.048 20 0 CAADLP C[N@H+]1CCN(C(=O)NCCCn2cncn2)[C@H](C[NH3+])C1 ZINC000627256506 373887960 /nfs/dbraw/zinc/88/79/60/373887960.db2.gz NXROHTOPEAKRJQ-LLVKDONJSA-N 2 2 281.364 -1.048 20 0 CAADLP C[N@@H+]1CCN(C(=O)NCCCn2cncn2)[C@@H](C[NH3+])C1 ZINC000627256507 373888027 /nfs/dbraw/zinc/88/80/27/373888027.db2.gz NXROHTOPEAKRJQ-NSHDSACASA-N 2 2 281.364 -1.048 20 0 CAADLP C[N@H+]1CCN(C(=O)NCCCn2cncn2)[C@@H](C[NH3+])C1 ZINC000627256507 373888031 /nfs/dbraw/zinc/88/80/31/373888031.db2.gz NXROHTOPEAKRJQ-NSHDSACASA-N 2 2 281.364 -1.048 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103289 373841991 /nfs/dbraw/zinc/84/19/91/373841991.db2.gz OMLPTNYDSHWWCN-RYUDHWBXSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103289 373841998 /nfs/dbraw/zinc/84/19/98/373841998.db2.gz OMLPTNYDSHWWCN-RYUDHWBXSA-N 2 2 286.376 -1.005 20 0 CAADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000627156460 373842828 /nfs/dbraw/zinc/84/28/28/373842828.db2.gz CUKBQRAIWQGRAL-OPRDCNLKSA-N 2 2 269.349 -1.465 20 0 CAADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000627156460 373842838 /nfs/dbraw/zinc/84/28/38/373842838.db2.gz CUKBQRAIWQGRAL-OPRDCNLKSA-N 2 2 269.349 -1.465 20 0 CAADLP C[NH2+]CCOCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627169932 373843245 /nfs/dbraw/zinc/84/32/45/373843245.db2.gz XGWSHEGBYRNLKU-NSHDSACASA-N 2 2 274.365 -1.148 20 0 CAADLP C[NH2+]CCOCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627169932 373843249 /nfs/dbraw/zinc/84/32/49/373843249.db2.gz XGWSHEGBYRNLKU-NSHDSACASA-N 2 2 274.365 -1.148 20 0 CAADLP CN1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000627184449 373845034 /nfs/dbraw/zinc/84/50/34/373845034.db2.gz YFWURXHYRCHKAX-VXGBXAGGSA-N 2 2 285.392 -1.399 20 0 CAADLP CN1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000627184449 373845036 /nfs/dbraw/zinc/84/50/36/373845036.db2.gz YFWURXHYRCHKAX-VXGBXAGGSA-N 2 2 285.392 -1.399 20 0 CAADLP CN(CCOCC[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183187 373845062 /nfs/dbraw/zinc/84/50/62/373845062.db2.gz OWFFOSMWBNKONZ-NSHDSACASA-N 2 2 274.365 -1.066 20 0 CAADLP CN(CCOCC[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183187 373845063 /nfs/dbraw/zinc/84/50/63/373845063.db2.gz OWFFOSMWBNKONZ-NSHDSACASA-N 2 2 274.365 -1.066 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627182875 373845177 /nfs/dbraw/zinc/84/51/77/373845177.db2.gz LNKDZJDHMKGWSU-WDEREUQCSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627182875 373845179 /nfs/dbraw/zinc/84/51/79/373845179.db2.gz LNKDZJDHMKGWSU-WDEREUQCSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627182874 373845388 /nfs/dbraw/zinc/84/53/88/373845388.db2.gz LNKDZJDHMKGWSU-QWRGUYRKSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627182874 373845392 /nfs/dbraw/zinc/84/53/92/373845392.db2.gz LNKDZJDHMKGWSU-QWRGUYRKSA-N 2 2 272.349 -1.395 20 0 CAADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627182932 373845458 /nfs/dbraw/zinc/84/54/58/373845458.db2.gz FVRSDTXVXYDQJS-NSHDSACASA-N 2 2 284.360 -1.299 20 0 CAADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627182932 373845462 /nfs/dbraw/zinc/84/54/62/373845462.db2.gz FVRSDTXVXYDQJS-NSHDSACASA-N 2 2 284.360 -1.299 20 0 CAADLP C[NH2+]CCOCCNC(=O)NCC[NH+]1CCOCC1 ZINC000627179325 373845673 /nfs/dbraw/zinc/84/56/73/373845673.db2.gz QQPBLRJJOOXAFH-UHFFFAOYSA-N 2 2 274.365 -1.146 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000627183587 373845741 /nfs/dbraw/zinc/84/57/41/373845741.db2.gz UWNLRZYLGGNISY-LLVKDONJSA-N 2 2 274.365 -1.018 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000627183587 373845750 /nfs/dbraw/zinc/84/57/50/373845750.db2.gz UWNLRZYLGGNISY-LLVKDONJSA-N 2 2 274.365 -1.018 20 0 CAADLP Nc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000623800751 373853158 /nfs/dbraw/zinc/85/31/58/373853158.db2.gz ZGUXPKGGOIVEKD-SECBINFHSA-N 2 2 279.348 -1.002 20 0 CAADLP CCS(=O)(=O)N(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200073 373943168 /nfs/dbraw/zinc/94/31/68/373943168.db2.gz GBWJVZRZDYKWST-SNVBAGLBSA-N 2 2 292.405 -1.631 20 0 CAADLP CCS(=O)(=O)N(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200073 373943171 /nfs/dbraw/zinc/94/31/71/373943171.db2.gz GBWJVZRZDYKWST-SNVBAGLBSA-N 2 2 292.405 -1.631 20 0 CAADLP [NH3+]C1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000566194000 373943207 /nfs/dbraw/zinc/94/32/07/373943207.db2.gz WNEOAUUZZZJDHU-UHFFFAOYSA-N 2 2 284.360 -1.568 20 0 CAADLP O=C(CNC(=O)C[NH2+]C1CC1)NCC[NH+]1CCOCC1 ZINC000566194070 373944036 /nfs/dbraw/zinc/94/40/36/373944036.db2.gz YUDJZJSSFXUJTI-UHFFFAOYSA-N 2 2 284.360 -1.697 20 0 CAADLP CO[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C[NH3+])C1 ZINC000566249284 373945455 /nfs/dbraw/zinc/94/54/55/373945455.db2.gz QTFSQAAZNUPZLX-QWRGUYRKSA-N 2 2 284.360 -1.617 20 0 CAADLP CO[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H](C[NH3+])C1 ZINC000566249282 373946308 /nfs/dbraw/zinc/94/63/08/373946308.db2.gz QTFSQAAZNUPZLX-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP CO[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C[NH3+])C1 ZINC000566249285 373946356 /nfs/dbraw/zinc/94/63/56/373946356.db2.gz QTFSQAAZNUPZLX-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566351468 373946818 /nfs/dbraw/zinc/94/68/18/373946818.db2.gz KNHTWMKRRKZOGW-GXTWGEPZSA-N 3 2 284.404 -1.147 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566351468 373946822 /nfs/dbraw/zinc/94/68/22/373946822.db2.gz KNHTWMKRRKZOGW-GXTWGEPZSA-N 3 2 284.404 -1.147 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000566854462 373949810 /nfs/dbraw/zinc/94/98/10/373949810.db2.gz PXQRKUYBVHYKSD-MNOVXSKESA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000566854462 373949819 /nfs/dbraw/zinc/94/98/19/373949819.db2.gz PXQRKUYBVHYKSD-MNOVXSKESA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000566854463 373951189 /nfs/dbraw/zinc/95/11/89/373951189.db2.gz PXQRKUYBVHYKSD-QWRGUYRKSA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000566854463 373951195 /nfs/dbraw/zinc/95/11/95/373951195.db2.gz PXQRKUYBVHYKSD-QWRGUYRKSA-N 3 2 256.350 -1.534 20 0 CAADLP CN(C)S(=O)(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566915720 373951227 /nfs/dbraw/zinc/95/12/27/373951227.db2.gz OQOZKIGDTGIUHB-JTQLQIEISA-N 2 2 292.405 -1.631 20 0 CAADLP CN(C)S(=O)(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566915720 373951232 /nfs/dbraw/zinc/95/12/32/373951232.db2.gz OQOZKIGDTGIUHB-JTQLQIEISA-N 2 2 292.405 -1.631 20 0 CAADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@@H]2C1 ZINC000567046774 373954005 /nfs/dbraw/zinc/95/40/05/373954005.db2.gz UWTKQANNUZBLBZ-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CC[NH2+]CC3=O)[C@@H]2C1 ZINC000567046774 373954012 /nfs/dbraw/zinc/95/40/12/373954012.db2.gz UWTKQANNUZBLBZ-VXGBXAGGSA-N 2 2 280.372 -1.029 20 0 CAADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000567470044 373956803 /nfs/dbraw/zinc/95/68/03/373956803.db2.gz JMCCYVJLLCTLAQ-SNVBAGLBSA-N 2 2 268.361 -1.078 20 0 CAADLP CO[C@@H]1COC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567731262 373959817 /nfs/dbraw/zinc/95/98/17/373959817.db2.gz KPMQGMZTTJYIJY-GMTAPVOTSA-N 2 2 272.349 -1.316 20 0 CAADLP CO[C@@H]1COC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567731262 373959824 /nfs/dbraw/zinc/95/98/24/373959824.db2.gz KPMQGMZTTJYIJY-GMTAPVOTSA-N 2 2 272.349 -1.316 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567817093 373960919 /nfs/dbraw/zinc/96/09/19/373960919.db2.gz KJURVEDZIHPCJG-QWRGUYRKSA-N 2 2 266.345 -1.514 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000567802160 373961381 /nfs/dbraw/zinc/96/13/81/373961381.db2.gz DLLKKUJAICABJX-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000567802160 373961389 /nfs/dbraw/zinc/96/13/89/373961389.db2.gz DLLKKUJAICABJX-ZJUUUORDSA-N 2 2 273.333 -1.286 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000630343897 373908121 /nfs/dbraw/zinc/90/81/21/373908121.db2.gz WDIRUYZJUHJAFD-UHFFFAOYSA-N 2 2 254.334 -1.290 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)[C@](C)(C[NH3+])C1 ZINC000630375351 373910763 /nfs/dbraw/zinc/91/07/63/373910763.db2.gz NHHHFBMVEKDNMW-MJVIPROJSA-N 2 2 298.387 -1.229 20 0 CAADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000564993230 373933922 /nfs/dbraw/zinc/93/39/22/373933922.db2.gz RECDPDOKQXBBLO-GRYCIOLGSA-N 2 2 299.371 -1.195 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565303505 373936478 /nfs/dbraw/zinc/93/64/78/373936478.db2.gz VNNAOQYJNIRMNR-MRVPVSSYSA-N 2 2 276.287 -1.468 20 0 CAADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000565154922 373936608 /nfs/dbraw/zinc/93/66/08/373936608.db2.gz CFIHXELPPRYWET-ZJUUUORDSA-N 2 2 254.334 -1.244 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000565303518 373936847 /nfs/dbraw/zinc/93/68/47/373936847.db2.gz VNNAOQYJNIRMNR-QMMMGPOBSA-N 2 2 276.287 -1.468 20 0 CAADLP CCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565479912 373939112 /nfs/dbraw/zinc/93/91/12/373939112.db2.gz QETXCXFIENHPNV-SECBINFHSA-N 2 2 278.378 -1.973 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000567912770 373964146 /nfs/dbraw/zinc/96/41/46/373964146.db2.gz UNLYTPZHTUDNLS-GHMZBOCLSA-N 2 2 282.344 -1.993 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000565882736 373942051 /nfs/dbraw/zinc/94/20/51/373942051.db2.gz PUJOEYFJNWTLDC-UHFFFAOYSA-N 2 2 284.360 -1.699 20 0 CAADLP CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578906384 373995353 /nfs/dbraw/zinc/99/53/53/373995353.db2.gz NVOOLAOGQMDFNE-RKDXNWHRSA-N 2 2 283.332 -1.924 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995640 /nfs/dbraw/zinc/99/56/40/373995640.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995643 /nfs/dbraw/zinc/99/56/43/373995643.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995646 /nfs/dbraw/zinc/99/56/46/373995646.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 3 2 299.419 -1.009 20 0 CAADLP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995650 /nfs/dbraw/zinc/99/56/50/373995650.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 3 2 299.419 -1.009 20 0 CAADLP C[N@H+]1CCN(C(=O)CNC(=O)C2CC2)[C@H](C[NH3+])C1 ZINC000578889139 373996641 /nfs/dbraw/zinc/99/66/41/373996641.db2.gz BSNYVCCDXYPDSL-SNVBAGLBSA-N 2 2 254.334 -1.386 20 0 CAADLP CN1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579215908 373998242 /nfs/dbraw/zinc/99/82/42/373998242.db2.gz OKPVMLQHTVWRRD-NXEZZACHSA-N 2 2 269.349 -1.499 20 0 CAADLP CN1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579215908 373998246 /nfs/dbraw/zinc/99/82/46/373998246.db2.gz OKPVMLQHTVWRRD-NXEZZACHSA-N 2 2 269.349 -1.499 20 0 CAADLP CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000579489516 373999936 /nfs/dbraw/zinc/99/99/36/373999936.db2.gz WEMMHTCVPKLWBT-NWDGAFQWSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000579489516 373999940 /nfs/dbraw/zinc/99/99/40/373999940.db2.gz WEMMHTCVPKLWBT-NWDGAFQWSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000579489516 373999945 /nfs/dbraw/zinc/99/99/45/373999945.db2.gz WEMMHTCVPKLWBT-NWDGAFQWSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000579489516 373999950 /nfs/dbraw/zinc/99/99/50/373999950.db2.gz WEMMHTCVPKLWBT-NWDGAFQWSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000579489518 374000808 /nfs/dbraw/zinc/00/08/08/374000808.db2.gz WEMMHTCVPKLWBT-VXGBXAGGSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000579489518 374000813 /nfs/dbraw/zinc/00/08/13/374000813.db2.gz WEMMHTCVPKLWBT-VXGBXAGGSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000579489518 374000819 /nfs/dbraw/zinc/00/08/19/374000819.db2.gz WEMMHTCVPKLWBT-VXGBXAGGSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000579489518 374000824 /nfs/dbraw/zinc/00/08/24/374000824.db2.gz WEMMHTCVPKLWBT-VXGBXAGGSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000579489515 374000888 /nfs/dbraw/zinc/00/08/88/374000888.db2.gz WEMMHTCVPKLWBT-NEPJUHHUSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000579489515 374000894 /nfs/dbraw/zinc/00/08/94/374000894.db2.gz WEMMHTCVPKLWBT-NEPJUHHUSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000579489515 374000903 /nfs/dbraw/zinc/00/09/03/374000903.db2.gz WEMMHTCVPKLWBT-NEPJUHHUSA-N 2 2 288.392 -1.071 20 0 CAADLP CNC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000579489515 374000909 /nfs/dbraw/zinc/00/09/09/374000909.db2.gz WEMMHTCVPKLWBT-NEPJUHHUSA-N 2 2 288.392 -1.071 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000579354912 374001373 /nfs/dbraw/zinc/00/13/73/374001373.db2.gz ILHAIZVCXMZLEV-GHMZBOCLSA-N 2 2 283.376 -1.122 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000579354912 374001379 /nfs/dbraw/zinc/00/13/79/374001379.db2.gz ILHAIZVCXMZLEV-GHMZBOCLSA-N 2 2 283.376 -1.122 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579593625 374002882 /nfs/dbraw/zinc/00/28/82/374002882.db2.gz XGACWIJPRNBFMI-UWVGGRQHSA-N 2 2 254.334 -1.434 20 0 CAADLP CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000579593625 374002889 /nfs/dbraw/zinc/00/28/89/374002889.db2.gz XGACWIJPRNBFMI-UWVGGRQHSA-N 2 2 254.334 -1.434 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579593624 374003110 /nfs/dbraw/zinc/00/31/10/374003110.db2.gz XGACWIJPRNBFMI-NXEZZACHSA-N 2 2 254.334 -1.434 20 0 CAADLP CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000579593624 374003118 /nfs/dbraw/zinc/00/31/18/374003118.db2.gz XGACWIJPRNBFMI-NXEZZACHSA-N 2 2 254.334 -1.434 20 0 CAADLP COC(=O)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579853319 374006310 /nfs/dbraw/zinc/00/63/10/374006310.db2.gz MBAWHIJJWCUPLJ-ZJUUUORDSA-N 2 2 298.343 -2.091 20 0 CAADLP COC(=O)CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579853319 374006320 /nfs/dbraw/zinc/00/63/20/374006320.db2.gz MBAWHIJJWCUPLJ-ZJUUUORDSA-N 2 2 298.343 -2.091 20 0 CAADLP [NH3+][C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000580890845 374009571 /nfs/dbraw/zinc/00/95/71/374009571.db2.gz ATTPPMUKPZTYAA-ZDUSSCGKSA-N 2 2 298.387 -1.322 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000568521888 373969662 /nfs/dbraw/zinc/96/96/62/373969662.db2.gz MXNQDDYSIBYISY-ZJUUUORDSA-N 2 2 265.379 -1.420 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000568521888 373969668 /nfs/dbraw/zinc/96/96/68/373969668.db2.gz MXNQDDYSIBYISY-ZJUUUORDSA-N 2 2 265.379 -1.420 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267190 373970472 /nfs/dbraw/zinc/97/04/72/373970472.db2.gz CDJJXRKZWWLMPT-BBBLOLIVSA-N 2 2 254.334 -1.293 20 0 CAADLP C[C@H](C(=O)N(C)C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267190 373970475 /nfs/dbraw/zinc/97/04/75/373970475.db2.gz CDJJXRKZWWLMPT-BBBLOLIVSA-N 2 2 254.334 -1.293 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCNC(C)=O ZINC000568659489 373972298 /nfs/dbraw/zinc/97/22/98/373972298.db2.gz BDUKQPPXFFQADT-GFCCVEGCSA-N 2 2 261.366 -1.007 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(C)=O ZINC000568659489 373972305 /nfs/dbraw/zinc/97/23/05/373972305.db2.gz BDUKQPPXFFQADT-GFCCVEGCSA-N 2 2 261.366 -1.007 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCNC(C)=O ZINC000568659489 373972312 /nfs/dbraw/zinc/97/23/12/373972312.db2.gz BDUKQPPXFFQADT-GFCCVEGCSA-N 2 2 261.366 -1.007 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(C)=O ZINC000568659489 373972318 /nfs/dbraw/zinc/97/23/18/373972318.db2.gz BDUKQPPXFFQADT-GFCCVEGCSA-N 2 2 261.366 -1.007 20 0 CAADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000568630394 373972444 /nfs/dbraw/zinc/97/24/44/373972444.db2.gz JWHNBURXKJELJY-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CN(C)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000568630394 373972448 /nfs/dbraw/zinc/97/24/48/373972448.db2.gz JWHNBURXKJELJY-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569202524 373973888 /nfs/dbraw/zinc/97/38/88/373973888.db2.gz HMVHNNQVFDNOHZ-QWHCGFSZSA-N 2 2 299.419 -1.009 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569202520 373975066 /nfs/dbraw/zinc/97/50/66/373975066.db2.gz HMVHNNQVFDNOHZ-CHWSQXEVSA-N 2 2 299.419 -1.009 20 0 CAADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000568982086 373975418 /nfs/dbraw/zinc/97/54/18/373975418.db2.gz FMLUQXPLEKRNPU-QWRGUYRKSA-N 2 2 287.360 -1.039 20 0 CAADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH3+])OC)C1 ZINC000568982086 373975421 /nfs/dbraw/zinc/97/54/21/373975421.db2.gz FMLUQXPLEKRNPU-QWRGUYRKSA-N 2 2 287.360 -1.039 20 0 CAADLP C[N@@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000572840229 373977755 /nfs/dbraw/zinc/97/77/55/373977755.db2.gz XZZGRYDYKUBQJT-MNOVXSKESA-N 3 2 256.350 -1.534 20 0 CAADLP C[N@H+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000572840229 373977764 /nfs/dbraw/zinc/97/77/64/373977764.db2.gz XZZGRYDYKUBQJT-MNOVXSKESA-N 3 2 256.350 -1.534 20 0 CAADLP CC(=O)N1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000572958842 373978112 /nfs/dbraw/zinc/97/81/12/373978112.db2.gz NEXMESZPEKQXPR-RYUDHWBXSA-N 2 2 268.361 -1.044 20 0 CAADLP CC(=O)N1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000572958842 373978119 /nfs/dbraw/zinc/97/81/19/373978119.db2.gz NEXMESZPEKQXPR-RYUDHWBXSA-N 2 2 268.361 -1.044 20 0 CAADLP CCOCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572618046 373978264 /nfs/dbraw/zinc/97/82/64/373978264.db2.gz PLHUDKLTPRGYLB-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP CCOCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572618046 373978272 /nfs/dbraw/zinc/97/82/72/373978272.db2.gz PLHUDKLTPRGYLB-MNOVXSKESA-N 2 2 284.360 -1.617 20 0 CAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CCN2C1=O ZINC000573021597 373979671 /nfs/dbraw/zinc/97/96/71/373979671.db2.gz FQLAVXVBJQRZGU-VHSXEESVSA-N 2 2 295.343 -2.811 20 0 CAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CCN2C1=O ZINC000573021598 373980151 /nfs/dbraw/zinc/98/01/51/373980151.db2.gz FQLAVXVBJQRZGU-ZJUUUORDSA-N 2 2 295.343 -2.811 20 0 CAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CCN2C1=O ZINC000573021596 373980452 /nfs/dbraw/zinc/98/04/52/373980452.db2.gz FQLAVXVBJQRZGU-UWVGGRQHSA-N 2 2 295.343 -2.811 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CCN2C1=O ZINC000573021595 373980904 /nfs/dbraw/zinc/98/09/04/373980904.db2.gz FQLAVXVBJQRZGU-NXEZZACHSA-N 2 2 295.343 -2.811 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574055392 373983995 /nfs/dbraw/zinc/98/39/95/373983995.db2.gz WDEOQECZZODSAQ-AEJSXWLSSA-N 2 2 297.359 -1.536 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574055392 373983999 /nfs/dbraw/zinc/98/39/99/373983999.db2.gz WDEOQECZZODSAQ-AEJSXWLSSA-N 2 2 297.359 -1.536 20 0 CAADLP COC(=O)c1cn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000573967101 373984078 /nfs/dbraw/zinc/98/40/78/373984078.db2.gz QSBJERGPIMWGLD-VIFPVBQESA-N 2 2 296.331 -1.834 20 0 CAADLP COC(=O)c1cn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000573967101 373984082 /nfs/dbraw/zinc/98/40/82/373984082.db2.gz QSBJERGPIMWGLD-VIFPVBQESA-N 2 2 296.331 -1.834 20 0 CAADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405864175 373986913 /nfs/dbraw/zinc/98/69/13/373986913.db2.gz OWBCXZLIJWYFIM-DJLDLDEBSA-N 2 2 258.322 -1.135 20 0 CAADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405864175 373986918 /nfs/dbraw/zinc/98/69/18/373986918.db2.gz OWBCXZLIJWYFIM-DJLDLDEBSA-N 2 2 258.322 -1.135 20 0 CAADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000578132763 373990776 /nfs/dbraw/zinc/99/07/76/373990776.db2.gz WCFOFHHGZTXRBW-NSHDSACASA-N 3 2 256.350 -1.532 20 0 CAADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000578132763 373990780 /nfs/dbraw/zinc/99/07/80/373990780.db2.gz WCFOFHHGZTXRBW-NSHDSACASA-N 3 2 256.350 -1.532 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC000312075671 374077413 /nfs/dbraw/zinc/07/74/13/374077413.db2.gz QAEFLMAVEKRRHA-LBPRGKRZSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC000312075671 374077419 /nfs/dbraw/zinc/07/74/19/374077419.db2.gz QAEFLMAVEKRRHA-LBPRGKRZSA-N 2 2 271.361 -1.110 20 0 CAADLP CC(=O)N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000621851995 374079217 /nfs/dbraw/zinc/07/92/17/374079217.db2.gz KIYZRPMBSKWUEU-NEPJUHHUSA-N 2 2 283.376 -1.109 20 0 CAADLP CC(=O)N1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000621851995 374079223 /nfs/dbraw/zinc/07/92/23/374079223.db2.gz KIYZRPMBSKWUEU-NEPJUHHUSA-N 2 2 283.376 -1.109 20 0 CAADLP CN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000084204480 374042062 /nfs/dbraw/zinc/04/20/62/374042062.db2.gz VEHNRRAIAHKKGJ-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP CN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000084204480 374042067 /nfs/dbraw/zinc/04/20/67/374042067.db2.gz VEHNRRAIAHKKGJ-UHFFFAOYSA-N 2 2 254.334 -1.418 20 0 CAADLP O=C(COC1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000111757448 374042614 /nfs/dbraw/zinc/04/26/14/374042614.db2.gz WGXPSVQPIANSBT-UHFFFAOYSA-N 2 2 271.361 -1.109 20 0 CAADLP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623809438 374043502 /nfs/dbraw/zinc/04/35/02/374043502.db2.gz CVUYVIUYMRACJB-SECBINFHSA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@H+]1CCO[C@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623809438 374043503 /nfs/dbraw/zinc/04/35/03/374043503.db2.gz CVUYVIUYMRACJB-SECBINFHSA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623809438 374043504 /nfs/dbraw/zinc/04/35/04/374043504.db2.gz CVUYVIUYMRACJB-SECBINFHSA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@H+]1CCO[C@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623809438 374043505 /nfs/dbraw/zinc/04/35/05/374043505.db2.gz CVUYVIUYMRACJB-SECBINFHSA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623809439 374044147 /nfs/dbraw/zinc/04/41/47/374044147.db2.gz CVUYVIUYMRACJB-VIFPVBQESA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@H+]1CCO[C@@H](CNc2nc(N)[nH+]c(N)n2)C1 ZINC000623809439 374044154 /nfs/dbraw/zinc/04/41/54/374044154.db2.gz CVUYVIUYMRACJB-VIFPVBQESA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623809439 374044164 /nfs/dbraw/zinc/04/41/64/374044164.db2.gz CVUYVIUYMRACJB-VIFPVBQESA-N 2 2 281.364 -1.113 20 0 CAADLP CC(C)C[N@H+]1CCO[C@@H](CNc2nc(N)nc(N)[nH+]2)C1 ZINC000623809439 374044169 /nfs/dbraw/zinc/04/41/69/374044169.db2.gz CVUYVIUYMRACJB-VIFPVBQESA-N 2 2 281.364 -1.113 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000627300359 374053832 /nfs/dbraw/zinc/05/38/32/374053832.db2.gz XMZZWKOMFYUQLB-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000627299743 374054028 /nfs/dbraw/zinc/05/40/28/374054028.db2.gz DHKKGXARFNRFKU-VHSXEESVSA-N 2 2 265.317 -1.134 20 0 CAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(N)nc(N)[nH+]1 ZINC000624331275 374111560 /nfs/dbraw/zinc/11/15/60/374111560.db2.gz UUIQNCBJESSWIB-SSDOTTSWSA-N 2 2 280.336 -1.747 20 0 CAADLP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000627358259 374115862 /nfs/dbraw/zinc/11/58/62/374115862.db2.gz FAKJRCOJSGJMOR-LLVKDONJSA-N 2 2 286.376 -1.370 20 0 CAADLP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627461298 374124146 /nfs/dbraw/zinc/12/41/46/374124146.db2.gz LLUZQAFWPGLGNF-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627475830 374131689 /nfs/dbraw/zinc/13/16/89/374131689.db2.gz VEVFWYCXDWGDEO-NSHDSACASA-N 2 2 296.371 -1.602 20 0 CAADLP CNC(=O)C[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623849069 374090893 /nfs/dbraw/zinc/09/08/93/374090893.db2.gz VCPPMKCTVLDCDW-UHFFFAOYSA-N 2 2 280.336 -2.259 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623939026 374096301 /nfs/dbraw/zinc/09/63/01/374096301.db2.gz AWFPZHKMKKFJDR-ZETCQYMHSA-N 2 2 253.310 -1.749 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNc1nc(N)[nH+]c(N)n1 ZINC000623939026 374096309 /nfs/dbraw/zinc/09/63/09/374096309.db2.gz AWFPZHKMKKFJDR-ZETCQYMHSA-N 2 2 253.310 -1.749 20 0 CAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000623966332 374098213 /nfs/dbraw/zinc/09/82/13/374098213.db2.gz MYEZDAPIESWYLT-SECBINFHSA-N 3 2 292.391 -1.301 20 0 CAADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000623966332 374098220 /nfs/dbraw/zinc/09/82/20/374098220.db2.gz MYEZDAPIESWYLT-SECBINFHSA-N 3 2 292.391 -1.301 20 0 CAADLP C[C@@H](CNc1nc(N)[nH+]c(N)n1)C[NH+]1CCOCC1 ZINC000623985023 374099512 /nfs/dbraw/zinc/09/95/12/374099512.db2.gz BLNFYAFVRVDDJE-QMMMGPOBSA-N 2 2 267.337 -1.501 20 0 CAADLP Nc1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000624051141 374100709 /nfs/dbraw/zinc/10/07/09/374100709.db2.gz SVTKWGHVKQWOQT-MRVPVSSYSA-N 2 2 265.321 -1.392 20 0 CAADLP Nc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000624051142 374101392 /nfs/dbraw/zinc/10/13/92/374101392.db2.gz SVTKWGHVKQWOQT-QMMMGPOBSA-N 2 2 265.321 -1.392 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624024935 374101602 /nfs/dbraw/zinc/10/16/02/374101602.db2.gz DSUPYVQXIUPABY-UHFFFAOYSA-N 2 2 280.336 -1.917 20 0 CAADLP Nc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000624100558 374104068 /nfs/dbraw/zinc/10/40/68/374104068.db2.gz XBRYRDHPXGAGEM-SSDOTTSWSA-N 2 2 251.294 -1.782 20 0 CAADLP Nc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000624100558 374104075 /nfs/dbraw/zinc/10/40/75/374104075.db2.gz XBRYRDHPXGAGEM-SSDOTTSWSA-N 2 2 251.294 -1.782 20 0 CAADLP Nc1nc(NC[C@H]2C[NH+]3CCN2CC3)nc(N)[nH+]1 ZINC000624056960 374104395 /nfs/dbraw/zinc/10/43/95/374104395.db2.gz UVTSOFIDLFGVPX-ZETCQYMHSA-N 2 2 250.310 -2.470 20 0 CAADLP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@H+](C)CCO1 ZINC000624051404 374106117 /nfs/dbraw/zinc/10/61/17/374106117.db2.gz BRYZWHXEYIUDCY-NKWVEPMBSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000624051404 374106120 /nfs/dbraw/zinc/10/61/20/374106120.db2.gz BRYZWHXEYIUDCY-NKWVEPMBSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000624051403 374106368 /nfs/dbraw/zinc/10/63/68/374106368.db2.gz BRYZWHXEYIUDCY-BQBZGAKWSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@H](Nc1nc(N)[nH+]c(N)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000624051403 374106373 /nfs/dbraw/zinc/10/63/73/374106373.db2.gz BRYZWHXEYIUDCY-BQBZGAKWSA-N 2 2 253.310 -1.750 20 0 CAADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc(N)[nH+]c(N)n1 ZINC000624211484 374107521 /nfs/dbraw/zinc/10/75/21/374107521.db2.gz QLBGDOOKVSYOPJ-BDAKNGLRSA-N 2 2 279.348 -1.004 20 0 CAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627507402 374137269 /nfs/dbraw/zinc/13/72/69/374137269.db2.gz QWIHRGRMBLRLPV-VXGBXAGGSA-N 2 2 296.371 -1.602 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633075628 374182611 /nfs/dbraw/zinc/18/26/11/374182611.db2.gz JJBCISBTWZGLSN-RYUDHWBXSA-N 2 2 296.371 -1.650 20 0 CAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000631843478 374149035 /nfs/dbraw/zinc/14/90/35/374149035.db2.gz OMBVFGATQOZUAG-NXEZZACHSA-N 2 2 254.334 -1.529 20 0 CAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000631843478 374149039 /nfs/dbraw/zinc/14/90/39/374149039.db2.gz OMBVFGATQOZUAG-NXEZZACHSA-N 2 2 254.334 -1.529 20 0 CAADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000631873097 374151296 /nfs/dbraw/zinc/15/12/96/374151296.db2.gz LEKOBELWLSFFCB-SNVBAGLBSA-N 2 2 260.338 -1.409 20 0 CAADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000631873097 374151300 /nfs/dbraw/zinc/15/13/00/374151300.db2.gz LEKOBELWLSFFCB-SNVBAGLBSA-N 2 2 260.338 -1.409 20 0 CAADLP [NH3+]CC(F)(F)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631929656 374153649 /nfs/dbraw/zinc/15/36/49/374153649.db2.gz LEFIMMYFVFLPEZ-ZETCQYMHSA-N 2 2 273.305 -1.512 20 0 CAADLP C[C@]1(F)C[NH2+]CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631939465 374156478 /nfs/dbraw/zinc/15/64/78/374156478.db2.gz AVCXKPOQPJXEAD-MNOVXSKESA-N 2 2 295.380 -1.062 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633089306 374183515 /nfs/dbraw/zinc/18/35/15/374183515.db2.gz YEANAKDHZHBZRK-RYUDHWBXSA-N 2 2 296.371 -1.650 20 0 CAADLP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000632129318 374160332 /nfs/dbraw/zinc/16/03/32/374160332.db2.gz HTWHVJHVVNUPDY-GFCCVEGCSA-N 2 2 290.433 -1.143 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086690 374184318 /nfs/dbraw/zinc/18/43/18/374184318.db2.gz BKEHRKZUDICHMJ-QWRGUYRKSA-N 2 2 266.345 -1.277 20 0 CAADLP CO[C@@H]1COC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000633897249 374192965 /nfs/dbraw/zinc/19/29/65/374192965.db2.gz KPMQGMZTTJYIJY-GARJFASQSA-N 2 2 272.349 -1.316 20 0 CAADLP CO[C@@H]1COC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000633897249 374192970 /nfs/dbraw/zinc/19/29/70/374192970.db2.gz KPMQGMZTTJYIJY-GARJFASQSA-N 2 2 272.349 -1.316 20 0 CAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000633114541 374185119 /nfs/dbraw/zinc/18/51/19/374185119.db2.gz CBOGWPXXBXNQEX-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633114825 374185255 /nfs/dbraw/zinc/18/52/55/374185255.db2.gz IHFBMHJCXITZJM-UWVGGRQHSA-N 2 2 275.312 -1.202 20 0 CAADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000633114539 374185639 /nfs/dbraw/zinc/18/56/39/374185639.db2.gz CBOGWPXXBXNQEX-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000633115243 374186854 /nfs/dbraw/zinc/18/68/54/374186854.db2.gz IGVVNDXYRNPWLO-VHSXEESVSA-N 2 2 254.334 -1.292 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633137976 374186870 /nfs/dbraw/zinc/18/68/70/374186870.db2.gz AUPIYZFDXYSTBP-WOPDTQHZSA-N 2 2 298.387 -1.541 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633137973 374186894 /nfs/dbraw/zinc/18/68/94/374186894.db2.gz AUPIYZFDXYSTBP-GRYCIOLGSA-N 2 2 298.387 -1.541 20 0 CAADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000633115244 374186916 /nfs/dbraw/zinc/18/69/16/374186916.db2.gz IGVVNDXYRNPWLO-ZJUUUORDSA-N 2 2 254.334 -1.292 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633116500 374186928 /nfs/dbraw/zinc/18/69/28/374186928.db2.gz UPPXTCVIQZPONK-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633137975 374186932 /nfs/dbraw/zinc/18/69/32/374186932.db2.gz AUPIYZFDXYSTBP-SRVKXCTJSA-N 2 2 298.387 -1.541 20 0 CAADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000633115241 374186950 /nfs/dbraw/zinc/18/69/50/374186950.db2.gz IGVVNDXYRNPWLO-NXEZZACHSA-N 2 2 254.334 -1.292 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116498 374187182 /nfs/dbraw/zinc/18/71/82/374187182.db2.gz UPPXTCVIQZPONK-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP COC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000330856829 284472872 /nfs/dbraw/zinc/47/28/72/284472872.db2.gz UHKBFIYVDPDTRE-CYBMUJFWSA-N 2 2 287.360 -1.384 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC(=O)N1CC[NH2+]CC1 ZINC000574571713 335030535 /nfs/dbraw/zinc/03/05/35/335030535.db2.gz YHDSPABITZFPNH-UHFFFAOYSA-N 2 2 283.332 -3.034 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000574735230 335043346 /nfs/dbraw/zinc/04/33/46/335043346.db2.gz UFTUVMLLKHGHTP-JHJVBQTASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@]1(CO)CCOC1 ZINC000329654879 252094604 /nfs/dbraw/zinc/09/46/04/252094604.db2.gz LVENIKYXXOYCTG-ZDUSSCGKSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@]1(CO)CCOC1 ZINC000329654879 252094607 /nfs/dbraw/zinc/09/46/07/252094607.db2.gz LVENIKYXXOYCTG-ZDUSSCGKSA-N 2 2 271.361 -1.156 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)C[NH+](C)C)CC1 ZINC000330495208 252098647 /nfs/dbraw/zinc/09/86/47/252098647.db2.gz WECNYGNGTDSBBG-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP COC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000330856836 252107429 /nfs/dbraw/zinc/10/74/29/252107429.db2.gz UHKBFIYVDPDTRE-ZDUSSCGKSA-N 2 2 287.360 -1.384 20 0 CAADLP CN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000071184653 252077119 /nfs/dbraw/zinc/07/71/19/252077119.db2.gz DDPJSPXQBMTNAO-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP CN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000071184653 252077123 /nfs/dbraw/zinc/07/71/23/252077123.db2.gz DDPJSPXQBMTNAO-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000266944661 252082229 /nfs/dbraw/zinc/08/22/29/252082229.db2.gz SANFLCMCZWTWBE-UHFFFAOYSA-N 2 2 266.305 -1.263 20 0 CAADLP [NH3+]CCOCC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000357076307 252145403 /nfs/dbraw/zinc/14/54/03/252145403.db2.gz INWWTNRGLSPSOD-UHFFFAOYSA-N 2 2 298.387 -1.272 20 0 CAADLP CC(C)NC(=O)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357037363 252145674 /nfs/dbraw/zinc/14/56/74/252145674.db2.gz YISFFKYRRYRUGO-UHFFFAOYSA-N 2 2 286.376 -1.370 20 0 CAADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CCO)CC1)c1cnn(C)c1 ZINC000357255664 252146913 /nfs/dbraw/zinc/14/69/13/252146913.db2.gz MGHZQEWDUUXFIY-GFCCVEGCSA-N 2 2 281.360 -1.183 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357910161 252153094 /nfs/dbraw/zinc/15/30/94/252153094.db2.gz IGXDWRVBFWDUKV-MXWKQRLJSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357910161 252153098 /nfs/dbraw/zinc/15/30/98/252153098.db2.gz IGXDWRVBFWDUKV-MXWKQRLJSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000357919293 252153205 /nfs/dbraw/zinc/15/32/05/252153205.db2.gz JWEQMGPSEHGTCE-VOAKCMCISA-N 2 2 283.372 -1.112 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000357919135 252153464 /nfs/dbraw/zinc/15/34/64/252153464.db2.gz JQEQOPIEXQJXON-GMTAPVOTSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357910163 252153550 /nfs/dbraw/zinc/15/35/50/252153550.db2.gz IGXDWRVBFWDUKV-OUAUKWLOSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357910163 252153551 /nfs/dbraw/zinc/15/35/51/252153551.db2.gz IGXDWRVBFWDUKV-OUAUKWLOSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000357919289 252153605 /nfs/dbraw/zinc/15/36/05/252153605.db2.gz JWEQMGPSEHGTCE-NDBYEHHHSA-N 2 2 283.372 -1.112 20 0 CAADLP C[NH+](C)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1O ZINC000359418582 252160698 /nfs/dbraw/zinc/16/06/98/252160698.db2.gz VJKCLQIRMRGLJG-VXGBXAGGSA-N 2 2 286.376 -1.365 20 0 CAADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCNC(=O)C1 ZINC000359311001 252161551 /nfs/dbraw/zinc/16/15/51/252161551.db2.gz RMFRPURORDGBEU-UWVGGRQHSA-N 2 2 252.318 -1.904 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359276045 252161594 /nfs/dbraw/zinc/16/15/94/252161594.db2.gz LRXVNOJLLNXQOZ-PHIMTYICSA-N 2 2 299.400 -1.150 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359276045 252161598 /nfs/dbraw/zinc/16/15/98/252161598.db2.gz LRXVNOJLLNXQOZ-PHIMTYICSA-N 2 2 299.400 -1.150 20 0 CAADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000360561065 252168549 /nfs/dbraw/zinc/16/85/49/252168549.db2.gz HZRZWCSSCUALKZ-CYBMUJFWSA-N 2 2 266.345 -1.370 20 0 CAADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000360561065 252168551 /nfs/dbraw/zinc/16/85/51/252168551.db2.gz HZRZWCSSCUALKZ-CYBMUJFWSA-N 2 2 266.345 -1.370 20 0 CAADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cnnn2)CC1 ZINC000360868759 252170141 /nfs/dbraw/zinc/17/01/41/252170141.db2.gz AXHMORDLXJKHEK-UHFFFAOYSA-N 2 2 281.364 -1.185 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343319524 252131115 /nfs/dbraw/zinc/13/11/15/252131115.db2.gz KLKVNYHOGNIPBU-UHFFFAOYSA-N 2 2 283.376 -1.283 20 0 CAADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857728 252135849 /nfs/dbraw/zinc/13/58/49/252135849.db2.gz YJNSSNLAJYKUGP-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000351857728 252135855 /nfs/dbraw/zinc/13/58/55/252135855.db2.gz YJNSSNLAJYKUGP-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000353727291 252138609 /nfs/dbraw/zinc/13/86/09/252138609.db2.gz ULLVDGUJELPTEM-WOPDTQHZSA-N 2 2 298.387 -1.242 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828953 252178439 /nfs/dbraw/zinc/17/84/39/252178439.db2.gz FMTJIUAPAWWPDE-VHSXEESVSA-N 2 2 297.359 -1.534 20 0 CAADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828953 252178441 /nfs/dbraw/zinc/17/84/41/252178441.db2.gz FMTJIUAPAWWPDE-VHSXEESVSA-N 2 2 297.359 -1.534 20 0 CAADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824537 252178468 /nfs/dbraw/zinc/17/84/68/252178468.db2.gz AOBGUSYNXAFMSI-JTQLQIEISA-N 2 2 297.359 -1.662 20 0 CAADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824537 252178469 /nfs/dbraw/zinc/17/84/69/252178469.db2.gz AOBGUSYNXAFMSI-JTQLQIEISA-N 2 2 297.359 -1.662 20 0 CAADLP CNC(=O)[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000364960633 252181910 /nfs/dbraw/zinc/18/19/10/252181910.db2.gz ZTGDOFCIMLPPLB-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP CNC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000364960633 252181911 /nfs/dbraw/zinc/18/19/11/252181911.db2.gz ZTGDOFCIMLPPLB-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826626 252178014 /nfs/dbraw/zinc/17/80/14/252178014.db2.gz PAZYXUKFSFGNBA-JTQLQIEISA-N 2 2 297.359 -1.532 20 0 CAADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826626 252178018 /nfs/dbraw/zinc/17/80/18/252178018.db2.gz PAZYXUKFSFGNBA-JTQLQIEISA-N 2 2 297.359 -1.532 20 0 CAADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C(N)=O)O1 ZINC000369814304 252189839 /nfs/dbraw/zinc/18/98/39/252189839.db2.gz OZICLHIHVZZUAL-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C(N)=O)O1 ZINC000369814304 252189843 /nfs/dbraw/zinc/18/98/43/252189843.db2.gz OZICLHIHVZZUAL-VXGBXAGGSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC000369805177 252190142 /nfs/dbraw/zinc/19/01/42/252190142.db2.gz KKJBJOCHVCTTMD-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC000369805177 252190145 /nfs/dbraw/zinc/19/01/45/252190145.db2.gz KKJBJOCHVCTTMD-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000376719547 252203287 /nfs/dbraw/zinc/20/32/87/252203287.db2.gz DKQNZHJPWRRGQS-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000376719547 252203289 /nfs/dbraw/zinc/20/32/89/252203289.db2.gz DKQNZHJPWRRGQS-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000376719545 252204337 /nfs/dbraw/zinc/20/43/37/252204337.db2.gz DKQNZHJPWRRGQS-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000376719545 252204340 /nfs/dbraw/zinc/20/43/40/252204340.db2.gz DKQNZHJPWRRGQS-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000408088504 252222344 /nfs/dbraw/zinc/22/23/44/252222344.db2.gz JFCAMURCIGWKNZ-UHFFFAOYSA-N 2 2 283.376 -1.107 20 0 CAADLP C[C@@H]([NH3+])CC(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431062535 532952570 /nfs/dbraw/zinc/95/25/70/532952570.db2.gz RAWSYSPSUNCYLC-SNVBAGLBSA-N 2 2 272.349 -1.712 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000408443661 252241054 /nfs/dbraw/zinc/24/10/54/252241054.db2.gz QQICHOGXWDDBFI-SRVKXCTJSA-N 2 2 271.361 -1.424 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H]1C ZINC000353680618 532957551 /nfs/dbraw/zinc/95/75/51/532957551.db2.gz OMFHBJBXJPCIGF-NXEZZACHSA-N 2 2 272.349 -1.632 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H]1C ZINC000353680618 532957553 /nfs/dbraw/zinc/95/75/53/532957553.db2.gz OMFHBJBXJPCIGF-NXEZZACHSA-N 2 2 272.349 -1.632 20 0 CAADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000516468607 252255449 /nfs/dbraw/zinc/25/54/49/252255449.db2.gz ZZTPSJMJIFXWMJ-GFCCVEGCSA-N 3 2 270.377 -1.142 20 0 CAADLP [NH3+]CCOCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000516468607 252255453 /nfs/dbraw/zinc/25/54/53/252255453.db2.gz ZZTPSJMJIFXWMJ-GFCCVEGCSA-N 3 2 270.377 -1.142 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](C)C1 ZINC000413894660 252246167 /nfs/dbraw/zinc/24/61/67/252246167.db2.gz CXNCPCAJDCASRK-NWDGAFQWSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](C)C1 ZINC000413894660 252246173 /nfs/dbraw/zinc/24/61/73/252246173.db2.gz CXNCPCAJDCASRK-NWDGAFQWSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894660 252246178 /nfs/dbraw/zinc/24/61/78/252246178.db2.gz CXNCPCAJDCASRK-NWDGAFQWSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894660 252246182 /nfs/dbraw/zinc/24/61/82/252246182.db2.gz CXNCPCAJDCASRK-NWDGAFQWSA-N 2 2 299.371 -1.120 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@@H]1C ZINC000353680619 532955898 /nfs/dbraw/zinc/95/58/98/532955898.db2.gz OMFHBJBXJPCIGF-UWVGGRQHSA-N 2 2 272.349 -1.632 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@@H]1C ZINC000353680619 532955900 /nfs/dbraw/zinc/95/59/00/532955900.db2.gz OMFHBJBXJPCIGF-UWVGGRQHSA-N 2 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](C)C1 ZINC000413894659 252247076 /nfs/dbraw/zinc/24/70/76/252247076.db2.gz CXNCPCAJDCASRK-NEPJUHHUSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](C)C1 ZINC000413894659 252247078 /nfs/dbraw/zinc/24/70/78/252247078.db2.gz CXNCPCAJDCASRK-NEPJUHHUSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894659 252247081 /nfs/dbraw/zinc/24/70/81/252247081.db2.gz CXNCPCAJDCASRK-NEPJUHHUSA-N 2 2 299.371 -1.120 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](C)C1 ZINC000413894659 252247082 /nfs/dbraw/zinc/24/70/82/252247082.db2.gz CXNCPCAJDCASRK-NEPJUHHUSA-N 2 2 299.371 -1.120 20 0 CAADLP CC(C)(CNC(=O)C(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000418843476 252248546 /nfs/dbraw/zinc/24/85/46/252248546.db2.gz RZKXLQZSXBVZAM-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000168025371 532956983 /nfs/dbraw/zinc/95/69/83/532956983.db2.gz TVLCSMQCDKWJIN-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000168025371 532956986 /nfs/dbraw/zinc/95/69/86/532956986.db2.gz TVLCSMQCDKWJIN-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430715474 532976109 /nfs/dbraw/zinc/97/61/09/532976109.db2.gz AQQSFLJECSJGDM-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP COCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430715474 532976115 /nfs/dbraw/zinc/97/61/15/532976115.db2.gz AQQSFLJECSJGDM-LLVKDONJSA-N 2 2 284.360 -1.745 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963752 296379694 /nfs/dbraw/zinc/37/96/94/296379694.db2.gz HJTIFTTYJJSAQN-WDEREUQCSA-N 2 2 266.345 -1.371 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000346963752 296379696 /nfs/dbraw/zinc/37/96/96/296379696.db2.gz HJTIFTTYJJSAQN-WDEREUQCSA-N 2 2 266.345 -1.371 20 0 CAADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000424215267 533091784 /nfs/dbraw/zinc/09/17/84/533091784.db2.gz FINWHSNFZHFSOJ-SNVBAGLBSA-N 2 2 286.376 -1.242 20 0 CAADLP CN(C(=O)CN1CC[NH2+]CC1=O)C1(C[NH3+])CCC1 ZINC000449664604 288806709 /nfs/dbraw/zinc/80/67/09/288806709.db2.gz CAZNDKJANPAWMQ-UHFFFAOYSA-N 2 2 254.334 -1.242 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423752350 533495819 /nfs/dbraw/zinc/49/58/19/533495819.db2.gz FWTVJSYRONWIPN-GFCCVEGCSA-N 2 2 299.371 -1.070 20 0 CAADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000190855455 533649058 /nfs/dbraw/zinc/64/90/58/533649058.db2.gz RXJLEWQIDPUKIY-NWDGAFQWSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000190855455 533649070 /nfs/dbraw/zinc/64/90/70/533649070.db2.gz RXJLEWQIDPUKIY-NWDGAFQWSA-N 2 2 273.377 -1.176 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342138419 130296481 /nfs/dbraw/zinc/29/64/81/130296481.db2.gz NIEOYKFNIFTIAY-UHFFFAOYSA-N 2 2 254.334 -1.386 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001194917347 781999067 /nfs/dbraw/zinc/99/90/67/781999067.db2.gz NBSUOMXOCXQZHI-VXGBXAGGSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194917347 781999076 /nfs/dbraw/zinc/99/90/76/781999076.db2.gz NBSUOMXOCXQZHI-VXGBXAGGSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@@]1(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261894732 289164709 /nfs/dbraw/zinc/16/47/09/289164709.db2.gz UQOAYALMWUIJOB-GXFFZTMASA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000194888996 545592160 /nfs/dbraw/zinc/59/21/60/545592160.db2.gz MXUSZFZKTQUBKI-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CN1CC[NH2+]CC1=O ZINC000237595791 297112496 /nfs/dbraw/zinc/11/24/96/297112496.db2.gz MGUBAWXAKXFRER-VHSXEESVSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149882 782002506 /nfs/dbraw/zinc/00/25/06/782002506.db2.gz YSBOKWGAHUSWGB-IJLUTSLNSA-N 2 2 282.344 -1.185 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149882 782002521 /nfs/dbraw/zinc/00/25/21/782002521.db2.gz YSBOKWGAHUSWGB-IJLUTSLNSA-N 2 2 282.344 -1.185 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149883 782002606 /nfs/dbraw/zinc/00/26/06/782002606.db2.gz YSBOKWGAHUSWGB-QJPTWQEYSA-N 2 2 282.344 -1.185 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149883 782002613 /nfs/dbraw/zinc/00/26/13/782002613.db2.gz YSBOKWGAHUSWGB-QJPTWQEYSA-N 2 2 282.344 -1.185 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988538 409329052 /nfs/dbraw/zinc/32/90/52/409329052.db2.gz SNPPBBZUCLEGAU-SNVBAGLBSA-N 2 2 254.334 -1.324 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259627 409319559 /nfs/dbraw/zinc/31/95/59/409319559.db2.gz ZRMWLZANLXKRRM-MNOVXSKESA-N 2 2 282.344 -1.057 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)CCN2C1=O ZINC000662259627 409319565 /nfs/dbraw/zinc/31/95/65/409319565.db2.gz ZRMWLZANLXKRRM-MNOVXSKESA-N 2 2 282.344 -1.057 20 0 CAADLP O=C1C[NH2+]CCN1[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000662266756 409320422 /nfs/dbraw/zinc/32/04/22/409320422.db2.gz LYCFEJDROHZWLZ-STQMWFEESA-N 2 2 282.388 -1.129 20 0 CAADLP [NH3+]CC[N@H+](CCC(=O)N1CCOCC1)C[C@H](O)CO ZINC000662289465 409324292 /nfs/dbraw/zinc/32/42/92/409324292.db2.gz SBHDTUPASRMWLT-NSHDSACASA-N 2 2 275.349 -2.151 20 0 CAADLP [NH3+]CC[N@@H+](CCC(=O)N1CCOCC1)C[C@H](O)CO ZINC000662289465 409324296 /nfs/dbraw/zinc/32/42/96/409324296.db2.gz SBHDTUPASRMWLT-NSHDSACASA-N 2 2 275.349 -2.151 20 0 CAADLP C[NH+]1CCN(C(=O)CC[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662284972 409324412 /nfs/dbraw/zinc/32/44/12/409324412.db2.gz SMWIANKCOQDPHU-UHFFFAOYSA-N 3 2 284.404 -1.145 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662317327 409325059 /nfs/dbraw/zinc/32/50/59/409325059.db2.gz WRJVFZQLBNNVQB-KXNHARMFSA-N 2 2 292.401 -1.299 20 0 CAADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662317327 409325064 /nfs/dbraw/zinc/32/50/64/409325064.db2.gz WRJVFZQLBNNVQB-KXNHARMFSA-N 2 2 292.401 -1.299 20 0 CAADLP CN1CCN(C(=O)C[NH+](C)C)C[C@H]1CNC(=O)C[NH+](C)C ZINC000652497752 409400088 /nfs/dbraw/zinc/40/00/88/409400088.db2.gz GGPIXLBHHWXNLR-GFCCVEGCSA-N 2 2 299.419 -1.632 20 0 CAADLP CN1CCN(C(=O)C[NH+](C)C)C[C@@H]1CNC(=O)C[NH+](C)C ZINC000652497753 409400392 /nfs/dbraw/zinc/40/03/92/409400392.db2.gz GGPIXLBHHWXNLR-LBPRGKRZSA-N 2 2 299.419 -1.632 20 0 CAADLP C[NH2+]CCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000043604828 409384373 /nfs/dbraw/zinc/38/43/73/409384373.db2.gz COPJGWJQZZUTFV-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP C[NH+](C)CC(=O)NCCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000647715298 409392088 /nfs/dbraw/zinc/39/20/88/409392088.db2.gz WEGTYXWJYNKILN-UHFFFAOYSA-N 2 2 299.419 -1.630 20 0 CAADLP COCCOCC[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000652201965 409392936 /nfs/dbraw/zinc/39/29/36/409392936.db2.gz VYRRRMAAQQNSIC-UHFFFAOYSA-N 2 2 274.365 -1.065 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000652337189 409393020 /nfs/dbraw/zinc/39/30/20/409393020.db2.gz QWONZZZCLJJYJX-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000652337189 409393022 /nfs/dbraw/zinc/39/30/22/409393022.db2.gz QWONZZZCLJJYJX-WDEREUQCSA-N 2 2 279.406 -1.030 20 0 CAADLP CCN1C(=O)[C@H]2C[N@H+](C[C@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338476 409393158 /nfs/dbraw/zinc/39/31/58/409393158.db2.gz HKWFFXQVLWRQQK-ZWNOBZJWSA-N 2 2 284.360 -1.075 20 0 CAADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338476 409393163 /nfs/dbraw/zinc/39/31/63/409393163.db2.gz HKWFFXQVLWRQQK-ZWNOBZJWSA-N 2 2 284.360 -1.075 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000652337186 409394306 /nfs/dbraw/zinc/39/43/06/409394306.db2.gz QWONZZZCLJJYJX-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000652337186 409394312 /nfs/dbraw/zinc/39/43/12/409394312.db2.gz QWONZZZCLJJYJX-GHMZBOCLSA-N 2 2 279.406 -1.030 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338474 409394656 /nfs/dbraw/zinc/39/46/56/409394656.db2.gz HKWFFXQVLWRQQK-GXFFZTMASA-N 2 2 284.360 -1.075 20 0 CAADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@](C)(O)C[NH2+]C)CCN2C1=O ZINC000652338474 409394662 /nfs/dbraw/zinc/39/46/62/409394662.db2.gz HKWFFXQVLWRQQK-GXFFZTMASA-N 2 2 284.360 -1.075 20 0 CAADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000652230319 409394716 /nfs/dbraw/zinc/39/47/16/409394716.db2.gz CUKBQRAIWQGRAL-AEJSXWLSSA-N 2 2 269.349 -1.465 20 0 CAADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000652230319 409394717 /nfs/dbraw/zinc/39/47/17/409394717.db2.gz CUKBQRAIWQGRAL-AEJSXWLSSA-N 2 2 269.349 -1.465 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058181 409330835 /nfs/dbraw/zinc/33/08/35/409330835.db2.gz RVFVUFKRUOWWSN-IUCAKERBSA-N 2 2 258.297 -1.766 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000648150244 409332223 /nfs/dbraw/zinc/33/22/23/409332223.db2.gz BDTJQAYNIAMGHV-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000648150244 409332229 /nfs/dbraw/zinc/33/22/29/409332229.db2.gz BDTJQAYNIAMGHV-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653114653 409332743 /nfs/dbraw/zinc/33/27/43/409332743.db2.gz QPCVBFLLZSMYDK-NSHDSACASA-N 3 2 260.382 -1.040 20 0 CAADLP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653114653 409332747 /nfs/dbraw/zinc/33/27/47/409332747.db2.gz QPCVBFLLZSMYDK-NSHDSACASA-N 3 2 260.382 -1.040 20 0 CAADLP CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1=O ZINC000653101675 409333584 /nfs/dbraw/zinc/33/35/84/409333584.db2.gz CFBAXCHRIGEBBI-UWVGGRQHSA-N 2 2 284.360 -1.083 20 0 CAADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655579 409333993 /nfs/dbraw/zinc/33/39/93/409333993.db2.gz JWYSYPJSUKZQMD-NEPJUHHUSA-N 2 2 269.345 -1.092 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662747280 409335494 /nfs/dbraw/zinc/33/54/94/409335494.db2.gz SDBUFEMHRPYUNI-GHMZBOCLSA-N 2 2 298.387 -1.242 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662920711 409337723 /nfs/dbraw/zinc/33/77/23/409337723.db2.gz YHDYWEVROABQND-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662960533 409337909 /nfs/dbraw/zinc/33/79/09/409337909.db2.gz RVTXTEALZVHJTQ-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496582 409344076 /nfs/dbraw/zinc/34/40/76/409344076.db2.gz WQYFSMWJRJKQHG-YPMHNXCESA-N 3 2 252.362 -1.041 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496582 409344082 /nfs/dbraw/zinc/34/40/82/409344082.db2.gz WQYFSMWJRJKQHG-YPMHNXCESA-N 3 2 252.362 -1.041 20 0 CAADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037800594 409345641 /nfs/dbraw/zinc/34/56/41/409345641.db2.gz PHNDMPVZMLXFSB-JTQLQIEISA-N 2 2 256.350 -1.044 20 0 CAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653281927 409351643 /nfs/dbraw/zinc/35/16/43/409351643.db2.gz FSZWADSGYVAGLO-LPEHRKFASA-N 2 2 271.317 -2.287 20 0 CAADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653281927 409351648 /nfs/dbraw/zinc/35/16/48/409351648.db2.gz FSZWADSGYVAGLO-LPEHRKFASA-N 2 2 271.317 -2.287 20 0 CAADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)C[C@H](C)O1 ZINC000353045150 409458869 /nfs/dbraw/zinc/45/88/69/409458869.db2.gz RNEUQPDMWVFVRD-OUAUKWLOSA-N 2 2 286.376 -1.195 20 0 CAADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])CC(N)=O)C[C@H](C)O1 ZINC000353045150 409458873 /nfs/dbraw/zinc/45/88/73/409458873.db2.gz RNEUQPDMWVFVRD-OUAUKWLOSA-N 2 2 286.376 -1.195 20 0 CAADLP C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000647778680 409408099 /nfs/dbraw/zinc/40/80/99/409408099.db2.gz UEOWMAIDGBNKMY-CQSZACIVSA-N 2 2 297.447 -1.014 20 0 CAADLP C[C@H](NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)C(=O)N(C)C ZINC000647835954 409411173 /nfs/dbraw/zinc/41/11/73/409411173.db2.gz VZNHSCLDNUWNQW-LBPRGKRZSA-N 2 2 299.419 -1.584 20 0 CAADLP C[C@H](NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)C(=O)N(C)C ZINC000647835954 409411181 /nfs/dbraw/zinc/41/11/81/409411181.db2.gz VZNHSCLDNUWNQW-LBPRGKRZSA-N 2 2 299.419 -1.584 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH3+])cn1 ZINC000647848620 409411756 /nfs/dbraw/zinc/41/17/56/409411756.db2.gz ZASCQNVXOJLEOK-UHFFFAOYSA-N 2 2 275.378 -1.021 20 0 CAADLP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH3+])cn1 ZINC000647848620 409411763 /nfs/dbraw/zinc/41/17/63/409411763.db2.gz ZASCQNVXOJLEOK-UHFFFAOYSA-N 2 2 275.378 -1.021 20 0 CAADLP CN(C[C@H](O)CNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000647810780 409412438 /nfs/dbraw/zinc/41/24/38/409412438.db2.gz VMEDAQXAAKJHJD-SNVBAGLBSA-N 2 2 274.365 -1.955 20 0 CAADLP CN(C[C@@H](O)CNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000647810779 409412755 /nfs/dbraw/zinc/41/27/55/409412755.db2.gz VMEDAQXAAKJHJD-JTQLQIEISA-N 2 2 274.365 -1.955 20 0 CAADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865169 409414339 /nfs/dbraw/zinc/41/43/39/409414339.db2.gz AWYBNYDTTKFBPE-VXGBXAGGSA-N 3 2 270.377 -1.144 20 0 CAADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865169 409414346 /nfs/dbraw/zinc/41/43/46/409414346.db2.gz AWYBNYDTTKFBPE-VXGBXAGGSA-N 3 2 270.377 -1.144 20 0 CAADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(=O)C1CC1 ZINC000647872613 409414797 /nfs/dbraw/zinc/41/47/97/409414797.db2.gz HMPBQEUAHBSHNW-NSHDSACASA-N 2 2 268.361 -1.044 20 0 CAADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865167 409415009 /nfs/dbraw/zinc/41/50/09/409415009.db2.gz AWYBNYDTTKFBPE-NWDGAFQWSA-N 3 2 270.377 -1.144 20 0 CAADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865167 409415012 /nfs/dbraw/zinc/41/50/12/409415012.db2.gz AWYBNYDTTKFBPE-NWDGAFQWSA-N 3 2 270.377 -1.144 20 0 CAADLP COCC(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647874618 409415751 /nfs/dbraw/zinc/41/57/51/409415751.db2.gz GGXOBGMAYXKJMW-UHFFFAOYSA-N 2 2 270.377 -1.318 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000341711325 409420788 /nfs/dbraw/zinc/42/07/88/409420788.db2.gz ZIZZIRKGJBBAGB-FRRDWIJNSA-N 2 2 285.388 -1.007 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000341711325 409420792 /nfs/dbraw/zinc/42/07/92/409420792.db2.gz ZIZZIRKGJBBAGB-FRRDWIJNSA-N 2 2 285.388 -1.007 20 0 CAADLP C[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000347677196 409440487 /nfs/dbraw/zinc/44/04/87/409440487.db2.gz WMSMVHBNWVTEMA-NXEZZACHSA-N 2 2 272.349 -1.713 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348998834 409442710 /nfs/dbraw/zinc/44/27/10/409442710.db2.gz KYTWLIQLPAFITN-UHFFFAOYSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000348941468 409443039 /nfs/dbraw/zinc/44/30/39/409443039.db2.gz OFWFDGMCDGGVKO-UHFFFAOYSA-N 2 2 284.404 -1.240 20 0 CAADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000348986156 409443447 /nfs/dbraw/zinc/44/34/47/409443447.db2.gz BJNMHBUGHJYZRX-LLVKDONJSA-N 2 2 270.377 -1.273 20 0 CAADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000348986156 409443451 /nfs/dbraw/zinc/44/34/51/409443451.db2.gz BJNMHBUGHJYZRX-LLVKDONJSA-N 2 2 270.377 -1.273 20 0 CAADLP CC[N@H+](C)C[C@@H](O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000519862508 409446356 /nfs/dbraw/zinc/44/63/56/409446356.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000519862508 409446360 /nfs/dbraw/zinc/44/63/60/409446360.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)CN1CCOCC1 ZINC000519862508 409446363 /nfs/dbraw/zinc/44/63/63/409446363.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)CN1CCOCC1 ZINC000519862508 409446369 /nfs/dbraw/zinc/44/63/69/409446369.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000519862508 409446371 /nfs/dbraw/zinc/44/63/71/409446371.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000519862508 409446373 /nfs/dbraw/zinc/44/63/73/409446373.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000519862510 409447073 /nfs/dbraw/zinc/44/70/73/409447073.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000519862510 409447077 /nfs/dbraw/zinc/44/70/77/409447077.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862510 409447081 /nfs/dbraw/zinc/44/70/81/409447081.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862510 409447085 /nfs/dbraw/zinc/44/70/85/409447085.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862510 409447089 /nfs/dbraw/zinc/44/70/89/409447089.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 2 289.420 -1.076 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000519862510 409447091 /nfs/dbraw/zinc/44/70/91/409447091.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 2 289.420 -1.076 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000519600101 409448036 /nfs/dbraw/zinc/44/80/36/409448036.db2.gz NUBAHOQJJUWGBM-QWRGUYRKSA-N 3 2 283.376 -2.044 20 0 CAADLP C[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000519600030 409448372 /nfs/dbraw/zinc/44/83/72/409448372.db2.gz NUBAHOQJJUWGBM-GHMZBOCLSA-N 3 2 283.376 -2.044 20 0 CAADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH+]1CCOCC1 ZINC000353000023 409456655 /nfs/dbraw/zinc/45/66/55/409456655.db2.gz XIFPZTQIFDBGSK-WDEREUQCSA-N 2 2 286.376 -1.338 20 0 CAADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)[NH+]1CCOCC1 ZINC000353000019 409456766 /nfs/dbraw/zinc/45/67/66/409456766.db2.gz XIFPZTQIFDBGSK-MNOVXSKESA-N 2 2 286.376 -1.338 20 0 CAADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)[NH+]1CCOCC1 ZINC000353000021 409457559 /nfs/dbraw/zinc/45/75/59/409457559.db2.gz XIFPZTQIFDBGSK-QWRGUYRKSA-N 2 2 286.376 -1.338 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000659678477 409467899 /nfs/dbraw/zinc/46/78/99/409467899.db2.gz YSVMKZJHCFAUQV-SECBINFHSA-N 2 2 253.306 -1.277 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562989 409474340 /nfs/dbraw/zinc/47/43/40/409474340.db2.gz SVACZNCSVOWWHU-TUAOUCFPSA-N 2 2 262.350 -1.647 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](O)C1 ZINC000653562989 409474343 /nfs/dbraw/zinc/47/43/43/409474343.db2.gz SVACZNCSVOWWHU-TUAOUCFPSA-N 2 2 262.350 -1.647 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562989 409474349 /nfs/dbraw/zinc/47/43/49/409474349.db2.gz SVACZNCSVOWWHU-TUAOUCFPSA-N 2 2 262.350 -1.647 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000653562989 409474351 /nfs/dbraw/zinc/47/43/51/409474351.db2.gz SVACZNCSVOWWHU-TUAOUCFPSA-N 2 2 262.350 -1.647 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C[NH3+])C1 ZINC000653054965 409472061 /nfs/dbraw/zinc/47/20/61/409472061.db2.gz DIZJUEZZVFLDIZ-BDAKNGLRSA-N 2 2 276.362 -2.221 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C[NH3+])C1 ZINC000653054965 409472065 /nfs/dbraw/zinc/47/20/65/409472065.db2.gz DIZJUEZZVFLDIZ-BDAKNGLRSA-N 2 2 276.362 -2.221 20 0 CAADLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659718116 409472529 /nfs/dbraw/zinc/47/25/29/409472529.db2.gz NHHANNFSQMZJAJ-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C[NH3+])C1 ZINC000653054968 409472776 /nfs/dbraw/zinc/47/27/76/409472776.db2.gz DIZJUEZZVFLDIZ-RKDXNWHRSA-N 2 2 276.362 -2.221 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C[NH3+])C1 ZINC000653054968 409472777 /nfs/dbraw/zinc/47/27/77/409472777.db2.gz DIZJUEZZVFLDIZ-RKDXNWHRSA-N 2 2 276.362 -2.221 20 0 CAADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000653594203 409474146 /nfs/dbraw/zinc/47/41/46/409474146.db2.gz CULVNCQYEWGJJC-WDEREUQCSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000653594203 409474149 /nfs/dbraw/zinc/47/41/49/409474149.db2.gz CULVNCQYEWGJJC-WDEREUQCSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000653594203 409474153 /nfs/dbraw/zinc/47/41/53/409474153.db2.gz CULVNCQYEWGJJC-WDEREUQCSA-N 2 2 274.365 -1.332 20 0 CAADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000653594203 409474157 /nfs/dbraw/zinc/47/41/57/409474157.db2.gz CULVNCQYEWGJJC-WDEREUQCSA-N 2 2 274.365 -1.332 20 0 CAADLP O=C(NCCn1cc[nH+]c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659677444 409469222 /nfs/dbraw/zinc/46/92/22/409469222.db2.gz NZZBPWMMGVQLDN-UHFFFAOYSA-N 2 2 277.328 -1.133 20 0 CAADLP C[C@@H]1C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1[NH3+] ZINC000262043323 409476505 /nfs/dbraw/zinc/47/65/05/409476505.db2.gz PLSYBGPLVDMMLW-SCZZXKLOSA-N 2 2 252.318 -1.137 20 0 CAADLP C[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1[NH3+] ZINC000262043323 409476509 /nfs/dbraw/zinc/47/65/09/409476509.db2.gz PLSYBGPLVDMMLW-SCZZXKLOSA-N 2 2 252.318 -1.137 20 0 CAADLP CC(C)[C@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000158327595 409476530 /nfs/dbraw/zinc/47/65/30/409476530.db2.gz DTKDUMFHYLYKHP-LBPRGKRZSA-N 2 2 256.350 -1.092 20 0 CAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659753236 409477117 /nfs/dbraw/zinc/47/71/17/409477117.db2.gz MIMSVWDTMDBFBY-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000430552022 409479654 /nfs/dbraw/zinc/47/96/54/409479654.db2.gz AOUBLFUXALSJJI-LBPRGKRZSA-N 2 2 256.350 -1.092 20 0 CAADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000424188705 409480117 /nfs/dbraw/zinc/48/01/17/409480117.db2.gz YUCZKXJMGBXUOA-TUAOUCFPSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3COCC[NH2+]3)[C@@H]2C1 ZINC000424188705 409480123 /nfs/dbraw/zinc/48/01/23/409480123.db2.gz YUCZKXJMGBXUOA-TUAOUCFPSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](C[NH3+])C1 ZINC000515350822 409480250 /nfs/dbraw/zinc/48/02/50/409480250.db2.gz DSILMRXEJNNNBS-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](C[NH3+])C1 ZINC000515350822 409480254 /nfs/dbraw/zinc/48/02/54/409480254.db2.gz DSILMRXEJNNNBS-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000515350821 409480478 /nfs/dbraw/zinc/48/04/78/409480478.db2.gz DSILMRXEJNNNBS-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H](C[NH3+])C1 ZINC000515350821 409480481 /nfs/dbraw/zinc/48/04/81/409480481.db2.gz DSILMRXEJNNNBS-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCn2ccnn2)[C@@H](C[NH3+])C1 ZINC000122646237 409474780 /nfs/dbraw/zinc/47/47/80/409474780.db2.gz LBIWVBDTCHYGSR-JTQLQIEISA-N 2 2 252.322 -1.231 20 0 CAADLP C[N@H+]1CCN(C(=O)CCn2ccnn2)[C@@H](C[NH3+])C1 ZINC000122646237 409474783 /nfs/dbraw/zinc/47/47/83/409474783.db2.gz LBIWVBDTCHYGSR-JTQLQIEISA-N 2 2 252.322 -1.231 20 0 CAADLP CC[N@H+](C)C[C@@H](O)CN(CCO)CC[NH+]1CCOCC1 ZINC000653563805 409475191 /nfs/dbraw/zinc/47/51/91/409475191.db2.gz AWJHNNWPSIKPCF-CQSZACIVSA-N 2 2 289.420 -1.075 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)CN(CCO)CC[NH+]1CCOCC1 ZINC000653563805 409475197 /nfs/dbraw/zinc/47/51/97/409475197.db2.gz AWJHNNWPSIKPCF-CQSZACIVSA-N 2 2 289.420 -1.075 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646125709 409482887 /nfs/dbraw/zinc/48/28/87/409482887.db2.gz SXNFDLVKWIANOO-UHFFFAOYSA-N 2 2 272.349 -1.630 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357533 409485896 /nfs/dbraw/zinc/48/58/96/409485896.db2.gz JQBZMIQLMOBUMB-LBPRGKRZSA-N 2 2 296.371 -1.649 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357532 409486001 /nfs/dbraw/zinc/48/60/01/409486001.db2.gz JQBZMIQLMOBUMB-GFCCVEGCSA-N 2 2 296.371 -1.649 20 0 CAADLP CN1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835325 409495164 /nfs/dbraw/zinc/49/51/64/409495164.db2.gz CSHAVYWQAKOSRI-UWVGGRQHSA-N 2 2 254.334 -1.292 20 0 CAADLP CN1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835325 409495168 /nfs/dbraw/zinc/49/51/68/409495168.db2.gz CSHAVYWQAKOSRI-UWVGGRQHSA-N 2 2 254.334 -1.292 20 0 CAADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000646427862 409489948 /nfs/dbraw/zinc/48/99/48/409489948.db2.gz ZGHDPAAAFJKAQJ-GFCCVEGCSA-N 2 2 298.387 -1.451 20 0 CAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659715665 409569769 /nfs/dbraw/zinc/56/97/69/409569769.db2.gz QWIHRGRMBLRLPV-RYUDHWBXSA-N 2 2 296.371 -1.602 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000659677443 409561445 /nfs/dbraw/zinc/56/14/45/409561445.db2.gz NSDRASFSGCIIRI-UHFFFAOYSA-N 2 2 277.328 -1.051 20 0 CAADLP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659711265 409563320 /nfs/dbraw/zinc/56/33/20/409563320.db2.gz WPEAGCIXAQHUKB-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659704156 409563733 /nfs/dbraw/zinc/56/37/33/409563733.db2.gz MWDZNJFOYVSBJU-UWVGGRQHSA-N 2 2 265.317 -1.134 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659704157 409564640 /nfs/dbraw/zinc/56/46/40/409564640.db2.gz MWDZNJFOYVSBJU-ZJUUUORDSA-N 2 2 265.317 -1.134 20 0 CAADLP [NH3+]CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659711364 409566564 /nfs/dbraw/zinc/56/65/64/409566564.db2.gz ZPPMYHDCTSSSLZ-NSHDSACASA-N 2 2 284.360 -1.616 20 0 CAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000649075064 409503250 /nfs/dbraw/zinc/50/32/50/409503250.db2.gz VUYFAGGSOGPXHG-VXGBXAGGSA-N 2 2 298.387 -1.105 20 0 CAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000649075064 409503253 /nfs/dbraw/zinc/50/32/53/409503253.db2.gz VUYFAGGSOGPXHG-VXGBXAGGSA-N 2 2 298.387 -1.105 20 0 CAADLP [NH3+]C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000131207626 409506636 /nfs/dbraw/zinc/50/66/36/409506636.db2.gz HFZBXGUWIXGDMI-JTQLQIEISA-N 2 2 254.334 -1.242 20 0 CAADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000649283627 409506703 /nfs/dbraw/zinc/50/67/03/409506703.db2.gz SAKQTLKCEZHXBL-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000649283628 409506745 /nfs/dbraw/zinc/50/67/45/409506745.db2.gz SAKQTLKCEZHXBL-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP O=C(CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)NCC[NH+]1CCOCC1 ZINC000649307714 409508038 /nfs/dbraw/zinc/50/80/38/409508038.db2.gz ACYPSFCAFOLXQA-UTUOFQBUSA-N 2 2 296.371 -1.699 20 0 CAADLP C[C@H](CNC(=O)C(=O)NCC[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656018162 409526544 /nfs/dbraw/zinc/52/65/44/409526544.db2.gz PXUHVUWALKNNAZ-MXWKQRLJSA-N 2 2 286.376 -1.325 20 0 CAADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659716636 409568714 /nfs/dbraw/zinc/56/87/14/409568714.db2.gz BNANQEHNACOOLR-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129343372 409530453 /nfs/dbraw/zinc/53/04/53/409530453.db2.gz JJSBTXPVHUVBEZ-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000129343372 409530460 /nfs/dbraw/zinc/53/04/60/409530460.db2.gz JJSBTXPVHUVBEZ-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H](O)C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624119013 409538556 /nfs/dbraw/zinc/53/85/56/409538556.db2.gz UZCOHHIRLXBWBR-HTQZYQBOSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H](O)C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](C)C1 ZINC000624119013 409538568 /nfs/dbraw/zinc/53/85/68/409538568.db2.gz UZCOHHIRLXBWBR-HTQZYQBOSA-N 2 2 267.337 -1.412 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CC(C)(C)O ZINC000624144298 409543548 /nfs/dbraw/zinc/54/35/48/409543548.db2.gz MCEJXRYFZRKALM-MRVPVSSYSA-N 2 2 281.364 -1.022 20 0 CAADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CC(C)(C)O ZINC000624144298 409543571 /nfs/dbraw/zinc/54/35/71/409543571.db2.gz MCEJXRYFZRKALM-MRVPVSSYSA-N 2 2 281.364 -1.022 20 0 CAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624142394 409544475 /nfs/dbraw/zinc/54/44/75/409544475.db2.gz WBOXYXZLVUNEBO-QMMMGPOBSA-N 2 2 281.364 -1.022 20 0 CAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624142394 409544495 /nfs/dbraw/zinc/54/44/95/409544495.db2.gz WBOXYXZLVUNEBO-QMMMGPOBSA-N 2 2 281.364 -1.022 20 0 CAADLP Cn1cc[nH+]c1N1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000624152908 409546845 /nfs/dbraw/zinc/54/68/45/409546845.db2.gz NPNBQNBPXFQXSC-UHFFFAOYSA-N 2 2 289.347 -1.067 20 0 CAADLP Cn1cc[nH+]c1N1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000624152908 409546855 /nfs/dbraw/zinc/54/68/55/409546855.db2.gz NPNBQNBPXFQXSC-UHFFFAOYSA-N 2 2 289.347 -1.067 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N(C)c1nc(N)[nH+]c(N)n1 ZINC000624167727 409547512 /nfs/dbraw/zinc/54/75/12/409547512.db2.gz KWBFHSLLEFKGQU-MRVPVSSYSA-N 2 2 267.337 -1.146 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493602 409620921 /nfs/dbraw/zinc/62/09/21/409620921.db2.gz JTQGBHNDPIUBGQ-UHFFFAOYSA-N 2 2 298.387 -1.356 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663493602 409620932 /nfs/dbraw/zinc/62/09/32/409620932.db2.gz JTQGBHNDPIUBGQ-UHFFFAOYSA-N 2 2 298.387 -1.356 20 0 CAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659715664 409570453 /nfs/dbraw/zinc/57/04/53/409570453.db2.gz QWIHRGRMBLRLPV-NWDGAFQWSA-N 2 2 296.371 -1.602 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000659750351 409571481 /nfs/dbraw/zinc/57/14/81/409571481.db2.gz FWWQAYXGEXHECG-QWRGUYRKSA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000659750351 409571487 /nfs/dbraw/zinc/57/14/87/409571487.db2.gz FWWQAYXGEXHECG-QWRGUYRKSA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000659748938 409572095 /nfs/dbraw/zinc/57/20/95/409572095.db2.gz CFQFFENFLMLORF-NSHDSACASA-N 2 2 286.376 -1.499 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659749318 409573683 /nfs/dbraw/zinc/57/36/83/409573683.db2.gz GQGGBXVBOKVOJO-JTQLQIEISA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659753234 409574089 /nfs/dbraw/zinc/57/40/89/409574089.db2.gz MIMSVWDTMDBFBY-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000659750352 409574122 /nfs/dbraw/zinc/57/41/22/409574122.db2.gz FWWQAYXGEXHECG-WDEREUQCSA-N 2 2 286.376 -1.453 20 0 CAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000659750352 409574127 /nfs/dbraw/zinc/57/41/27/409574127.db2.gz FWWQAYXGEXHECG-WDEREUQCSA-N 2 2 286.376 -1.453 20 0 CAADLP O[C@H]1COCC[N@H+](C/C=C/C[NH+]2CCOC[C@@H](O)C2)C1 ZINC000660668032 409577190 /nfs/dbraw/zinc/57/71/90/409577190.db2.gz BVHUNMXFYIXEMV-CZMZKRSCSA-N 2 2 286.372 -1.071 20 0 CAADLP O[C@H]1COCC[NH+](C/C=C/C[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668032 409577212 /nfs/dbraw/zinc/57/72/12/409577212.db2.gz BVHUNMXFYIXEMV-CZMZKRSCSA-N 2 2 286.372 -1.071 20 0 CAADLP O[C@H]1COCC[NH+](C/C=C/C[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668032 409577220 /nfs/dbraw/zinc/57/72/20/409577220.db2.gz BVHUNMXFYIXEMV-CZMZKRSCSA-N 2 2 286.372 -1.071 20 0 CAADLP O[C@H]1COCC[N@H+](C/C=C\C[NH+]2CCOC[C@@H](O)C2)C1 ZINC000660668040 409578419 /nfs/dbraw/zinc/57/84/19/409578419.db2.gz BVHUNMXFYIXEMV-YZRRVPADSA-N 2 2 286.372 -1.071 20 0 CAADLP O[C@H]1COCC[NH+](C/C=C\C[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668040 409578437 /nfs/dbraw/zinc/57/84/37/409578437.db2.gz BVHUNMXFYIXEMV-YZRRVPADSA-N 2 2 286.372 -1.071 20 0 CAADLP O[C@H]1COCC[NH+](C/C=C\C[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668040 409578444 /nfs/dbraw/zinc/57/84/44/409578444.db2.gz BVHUNMXFYIXEMV-YZRRVPADSA-N 2 2 286.372 -1.071 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259295 409586970 /nfs/dbraw/zinc/58/69/70/409586970.db2.gz UPWRHOFYBDTZDA-MNOVXSKESA-N 2 2 277.390 -1.012 20 0 CAADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662259295 409586972 /nfs/dbraw/zinc/58/69/72/409586972.db2.gz UPWRHOFYBDTZDA-MNOVXSKESA-N 2 2 277.390 -1.012 20 0 CAADLP CN1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000661810889 409587511 /nfs/dbraw/zinc/58/75/11/409587511.db2.gz RYCISLJRTYIQPH-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP CN1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000661810889 409587515 /nfs/dbraw/zinc/58/75/15/409587515.db2.gz RYCISLJRTYIQPH-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259297 409587702 /nfs/dbraw/zinc/58/77/02/409587702.db2.gz UPWRHOFYBDTZDA-WDEREUQCSA-N 2 2 277.390 -1.012 20 0 CAADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662259297 409587708 /nfs/dbraw/zinc/58/77/08/409587708.db2.gz UPWRHOFYBDTZDA-WDEREUQCSA-N 2 2 277.390 -1.012 20 0 CAADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000662311507 409591439 /nfs/dbraw/zinc/59/14/39/409591439.db2.gz UBPAHSUGPBKTLA-GFCCVEGCSA-N 2 2 290.433 -1.143 20 0 CAADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1S(C)(=O)=O ZINC000662311507 409591446 /nfs/dbraw/zinc/59/14/46/409591446.db2.gz UBPAHSUGPBKTLA-GFCCVEGCSA-N 2 2 290.433 -1.143 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287970 409591584 /nfs/dbraw/zinc/59/15/84/409591584.db2.gz LDZFPFPDFLXDSX-GFCCVEGCSA-N 3 2 288.392 -2.236 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287970 409591589 /nfs/dbraw/zinc/59/15/89/409591589.db2.gz LDZFPFPDFLXDSX-GFCCVEGCSA-N 3 2 288.392 -2.236 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662444498 409593332 /nfs/dbraw/zinc/59/33/32/409593332.db2.gz HTRWZWDAVAPPBF-JTQLQIEISA-N 2 2 282.348 -1.313 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662444498 409593337 /nfs/dbraw/zinc/59/33/37/409593337.db2.gz HTRWZWDAVAPPBF-JTQLQIEISA-N 2 2 282.348 -1.313 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CCN(C3CC3)C2=O)[C@H](C[NH3+])C1 ZINC000662430548 409594632 /nfs/dbraw/zinc/59/46/32/409594632.db2.gz ZUAFMTSYVYEVFV-GFCCVEGCSA-N 2 2 295.387 -1.012 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CCN(C3CC3)C2=O)[C@H](C[NH3+])C1 ZINC000662430548 409594643 /nfs/dbraw/zinc/59/46/43/409594643.db2.gz ZUAFMTSYVYEVFV-GFCCVEGCSA-N 2 2 295.387 -1.012 20 0 CAADLP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000662650299 409601250 /nfs/dbraw/zinc/60/12/50/409601250.db2.gz YZRLUVQYUKKNCV-UHFFFAOYSA-N 2 2 254.334 -1.194 20 0 CAADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000662660075 409601262 /nfs/dbraw/zinc/60/12/62/409601262.db2.gz XVLKXOGKCRXRDR-MNOVXSKESA-N 2 2 257.334 -1.201 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)[C@H](C)CO1 ZINC000662632053 409601666 /nfs/dbraw/zinc/60/16/66/409601666.db2.gz WZCBQJYOVYHQJM-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)[C@H](C)CO1 ZINC000662632053 409601675 /nfs/dbraw/zinc/60/16/75/409601675.db2.gz WZCBQJYOVYHQJM-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662632511 409602423 /nfs/dbraw/zinc/60/24/23/409602423.db2.gz DEWSCVPEPKBDPT-VHSXEESVSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])[C@@H](C)CO1 ZINC000662632511 409602426 /nfs/dbraw/zinc/60/24/26/409602426.db2.gz DEWSCVPEPKBDPT-VHSXEESVSA-N 2 2 272.349 -1.713 20 0 CAADLP CC(C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCOCC1 ZINC000662674082 409602512 /nfs/dbraw/zinc/60/25/12/409602512.db2.gz UQCXFAQZDIHSOT-LLVKDONJSA-N 2 2 271.361 -1.206 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000662632512 409603781 /nfs/dbraw/zinc/60/37/81/409603781.db2.gz DEWSCVPEPKBDPT-ZJUUUORDSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000662632512 409603788 /nfs/dbraw/zinc/60/37/88/409603788.db2.gz DEWSCVPEPKBDPT-ZJUUUORDSA-N 2 2 272.349 -1.713 20 0 CAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662790591 409606423 /nfs/dbraw/zinc/60/64/23/409606423.db2.gz CQEFWQAMOGYMRV-PHIMTYICSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662790591 409606428 /nfs/dbraw/zinc/60/64/28/409606428.db2.gz CQEFWQAMOGYMRV-PHIMTYICSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757758 409607375 /nfs/dbraw/zinc/60/73/75/409607375.db2.gz MWHYQCWZXCRJCH-LBPRGKRZSA-N 2 2 284.404 -1.290 20 0 CAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757757 409607583 /nfs/dbraw/zinc/60/75/83/409607583.db2.gz MWHYQCWZXCRJCH-GFCCVEGCSA-N 2 2 284.404 -1.290 20 0 CAADLP O=C(N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1(O)C[NH2+]C1 ZINC000662767575 409608470 /nfs/dbraw/zinc/60/84/70/409608470.db2.gz WOJFZUJUAKEXMM-JTQLQIEISA-N 2 2 282.344 -2.257 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C2(O)C[NH2+]C2)[C@H](C)CO1 ZINC000662861093 409610776 /nfs/dbraw/zinc/61/07/76/409610776.db2.gz XEONKJREBXWWJQ-NXEZZACHSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)[C@H](C)CO1 ZINC000662861093 409610781 /nfs/dbraw/zinc/61/07/81/409610781.db2.gz XEONKJREBXWWJQ-NXEZZACHSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)C2(O)C[NH2+]C2)[C@@H](C)CO1 ZINC000662861094 409610877 /nfs/dbraw/zinc/61/08/77/409610877.db2.gz XEONKJREBXWWJQ-UWVGGRQHSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)C2(O)C[NH2+]C2)[C@@H](C)CO1 ZINC000662861094 409610880 /nfs/dbraw/zinc/61/08/80/409610880.db2.gz XEONKJREBXWWJQ-UWVGGRQHSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662861097 409611097 /nfs/dbraw/zinc/61/10/97/409611097.db2.gz XEONKJREBXWWJQ-ZJUUUORDSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662861097 409611105 /nfs/dbraw/zinc/61/11/05/409611105.db2.gz XEONKJREBXWWJQ-ZJUUUORDSA-N 2 2 257.334 -1.454 20 0 CAADLP COCC(C)(C)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662818892 409611318 /nfs/dbraw/zinc/61/13/18/409611318.db2.gz FBIUPUXOTHDKKJ-UHFFFAOYSA-N 2 2 271.361 -1.110 20 0 CAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662946132 409615125 /nfs/dbraw/zinc/61/51/25/409615125.db2.gz ALSSTCAGPYGOJF-LLVKDONJSA-N 2 2 294.359 -1.531 20 0 CAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662946132 409615127 /nfs/dbraw/zinc/61/51/27/409615127.db2.gz ALSSTCAGPYGOJF-LLVKDONJSA-N 2 2 294.359 -1.531 20 0 CAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000662948248 409615150 /nfs/dbraw/zinc/61/51/50/409615150.db2.gz UWBNAPKFACPXCD-UHFFFAOYSA-N 2 2 251.290 -1.200 20 0 CAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000662948248 409615156 /nfs/dbraw/zinc/61/51/56/409615156.db2.gz UWBNAPKFACPXCD-UHFFFAOYSA-N 2 2 251.290 -1.200 20 0 CAADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662946134 409615207 /nfs/dbraw/zinc/61/52/07/409615207.db2.gz ALSSTCAGPYGOJF-NSHDSACASA-N 2 2 294.359 -1.531 20 0 CAADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662946134 409615211 /nfs/dbraw/zinc/61/52/11/409615211.db2.gz ALSSTCAGPYGOJF-NSHDSACASA-N 2 2 294.359 -1.531 20 0 CAADLP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662973556 409615436 /nfs/dbraw/zinc/61/54/36/409615436.db2.gz RKKUUKJPYYZFRX-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662948528 409615553 /nfs/dbraw/zinc/61/55/53/409615553.db2.gz XAWTYXPUQBMYRZ-VXGBXAGGSA-N 2 2 296.371 -1.521 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662989410 409615668 /nfs/dbraw/zinc/61/56/68/409615668.db2.gz GJMNFWKYTGDKOX-NXEZZACHSA-N 2 2 272.324 -1.342 20 0 CAADLP O=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH2+]CC1 ZINC000662946619 409615704 /nfs/dbraw/zinc/61/57/04/409615704.db2.gz GJCQPLIYIBEPQX-LBPRGKRZSA-N 2 2 296.371 -1.649 20 0 CAADLP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662973555 409615806 /nfs/dbraw/zinc/61/58/06/409615806.db2.gz RKKUUKJPYYZFRX-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cnc(N)n1 ZINC000633618359 409742441 /nfs/dbraw/zinc/74/24/41/409742441.db2.gz PCUAPYAYUWKLJR-UHFFFAOYSA-N 2 2 283.380 -1.140 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cnc(N)n1 ZINC000633618359 409742446 /nfs/dbraw/zinc/74/24/46/409742446.db2.gz PCUAPYAYUWKLJR-UHFFFAOYSA-N 2 2 283.380 -1.140 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423030325 292535578 /nfs/dbraw/zinc/53/55/78/292535578.db2.gz BFQWNKGOQCNQKD-LBPRGKRZSA-N 2 2 298.387 -1.273 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001195859657 782019007 /nfs/dbraw/zinc/01/90/07/782019007.db2.gz MVJYYEGLBQMYIJ-OUAUKWLOSA-N 2 2 284.360 -2.012 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001195859657 782019012 /nfs/dbraw/zinc/01/90/12/782019012.db2.gz MVJYYEGLBQMYIJ-OUAUKWLOSA-N 2 2 284.360 -2.012 20 0 CAADLP CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860221 782019102 /nfs/dbraw/zinc/01/91/02/782019102.db2.gz UFWCMISHFWDLJH-GHMZBOCLSA-N 2 2 286.376 -1.765 20 0 CAADLP CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860221 782019110 /nfs/dbraw/zinc/01/91/10/782019110.db2.gz UFWCMISHFWDLJH-GHMZBOCLSA-N 2 2 286.376 -1.765 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001195859461 782019785 /nfs/dbraw/zinc/01/97/85/782019785.db2.gz JZTQWNWNTOTARF-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1O ZINC001195859461 782019793 /nfs/dbraw/zinc/01/97/93/782019793.db2.gz JZTQWNWNTOTARF-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001195859655 782019955 /nfs/dbraw/zinc/01/99/55/782019955.db2.gz MVJYYEGLBQMYIJ-GMTAPVOTSA-N 2 2 284.360 -2.012 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001195859655 782019963 /nfs/dbraw/zinc/01/99/63/782019963.db2.gz MVJYYEGLBQMYIJ-GMTAPVOTSA-N 2 2 284.360 -2.012 20 0 CAADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031551 174026090 /nfs/dbraw/zinc/02/60/90/174026090.db2.gz UODYKMVUAMYPPX-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031551 174026091 /nfs/dbraw/zinc/02/60/91/174026091.db2.gz UODYKMVUAMYPPX-SNVBAGLBSA-N 2 2 299.375 -1.416 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031552 174026496 /nfs/dbraw/zinc/02/64/96/174026496.db2.gz UODYKMVUAMYPPX-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031552 174026499 /nfs/dbraw/zinc/02/64/99/174026499.db2.gz UODYKMVUAMYPPX-JTQLQIEISA-N 2 2 299.375 -1.416 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031550 174026530 /nfs/dbraw/zinc/02/65/30/174026530.db2.gz LGODCUBVRJXKRU-MRVPVSSYSA-N 2 2 271.321 -2.067 20 0 CAADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031550 174026532 /nfs/dbraw/zinc/02/65/32/174026532.db2.gz LGODCUBVRJXKRU-MRVPVSSYSA-N 2 2 271.321 -2.067 20 0 CAADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000166085233 226094273 /nfs/dbraw/zinc/09/42/73/226094273.db2.gz UBDAKIWEZMPBEM-GFCCVEGCSA-N 2 2 298.387 -1.449 20 0 CAADLP C[C@H](NC(=O)CNC(=O)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000347677197 226220115 /nfs/dbraw/zinc/22/01/15/226220115.db2.gz WMSMVHBNWVTEMA-UWVGGRQHSA-N 2 2 272.349 -1.713 20 0 CAADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353425720 228100781 /nfs/dbraw/zinc/10/07/81/228100781.db2.gz HPAFKQZIWLUWKS-SECBINFHSA-N 2 2 272.349 -1.632 20 0 CAADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000427603536 287621916 /nfs/dbraw/zinc/62/19/16/287621916.db2.gz VHMOORIEGWXNCJ-ZJUUUORDSA-N 2 2 254.334 -1.468 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000165525336 230186839 /nfs/dbraw/zinc/18/68/39/230186839.db2.gz NNNBJWSOLXCLHD-GFCCVEGCSA-N 2 2 296.371 -1.649 20 0 CAADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000167995151 230186910 /nfs/dbraw/zinc/18/69/10/230186910.db2.gz OGIPWJDZUYJYGN-VXGBXAGGSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000167995151 230186915 /nfs/dbraw/zinc/18/69/15/230186915.db2.gz OGIPWJDZUYJYGN-VXGBXAGGSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000173657753 230189527 /nfs/dbraw/zinc/18/95/27/230189527.db2.gz AXKLQQUFIUREII-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP [NH3+]CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178804213 230193961 /nfs/dbraw/zinc/19/39/61/230193961.db2.gz XCZNGZYEAAWBAX-LLVKDONJSA-N 2 2 284.360 -1.616 20 0 CAADLP C[C@H]([NH3+])CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261897382 230221908 /nfs/dbraw/zinc/22/19/08/230221908.db2.gz UPVRCKCVBFUETC-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP NC(=O)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000261893431 230222018 /nfs/dbraw/zinc/22/20/18/230222018.db2.gz ALLCCROMDBSBDR-SNVBAGLBSA-N 2 2 254.334 -1.114 20 0 CAADLP C[C@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262416612 230229415 /nfs/dbraw/zinc/22/94/15/230229415.db2.gz RFMMXGQBEUPUQF-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP [NH3+]C1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000262696639 230230906 /nfs/dbraw/zinc/23/09/06/230230906.db2.gz DYYJLHKEWZMAAF-LLVKDONJSA-N 2 2 296.371 -1.473 20 0 CAADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000358129267 230243435 /nfs/dbraw/zinc/24/34/35/230243435.db2.gz ROPOEVOHJUYNJI-LLVKDONJSA-N 2 2 257.334 -1.105 20 0 CAADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000358129267 230243439 /nfs/dbraw/zinc/24/34/39/230243439.db2.gz ROPOEVOHJUYNJI-LLVKDONJSA-N 2 2 257.334 -1.105 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419886842 230257985 /nfs/dbraw/zinc/25/79/85/230257985.db2.gz IHYFFJIOZNLEDN-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419886841 230257996 /nfs/dbraw/zinc/25/79/96/230257996.db2.gz IHYFFJIOZNLEDN-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420065392 230260017 /nfs/dbraw/zinc/26/00/17/230260017.db2.gz PSWNDUOMBYUMNK-GFCCVEGCSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000420373876 230264546 /nfs/dbraw/zinc/26/45/46/230264546.db2.gz GZYNQJBVEJVNCR-QWRGUYRKSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000420373876 230264551 /nfs/dbraw/zinc/26/45/51/230264551.db2.gz GZYNQJBVEJVNCR-QWRGUYRKSA-N 2 2 268.361 -1.139 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423033849 230266745 /nfs/dbraw/zinc/26/67/45/230266745.db2.gz HGPCRQBOYXFUCE-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423704517 230276938 /nfs/dbraw/zinc/27/69/38/230276938.db2.gz JOYBYCVZWURJGX-JTQLQIEISA-N 2 2 254.334 -1.419 20 0 CAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423681288 230277036 /nfs/dbraw/zinc/27/70/36/230277036.db2.gz OFDCHXDWDFTGTQ-NWDGAFQWSA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424043652 230277989 /nfs/dbraw/zinc/27/79/89/230277989.db2.gz RBWIDFRQGQUGIF-UHFFFAOYSA-N 2 2 290.389 -2.006 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423729454 230279940 /nfs/dbraw/zinc/27/99/40/230279940.db2.gz XEFVCLCSSXJGCV-LLVKDONJSA-N 2 2 286.376 -1.417 20 0 CAADLP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000430938822 230311074 /nfs/dbraw/zinc/31/10/74/230311074.db2.gz JGPPWPLGRGDSLI-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000430938822 230311080 /nfs/dbraw/zinc/31/10/80/230311080.db2.gz JGPPWPLGRGDSLI-NXEZZACHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430892123 230311375 /nfs/dbraw/zinc/31/13/75/230311375.db2.gz AXWRUWHIKHXYJZ-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430892123 230311379 /nfs/dbraw/zinc/31/13/79/230311379.db2.gz AXWRUWHIKHXYJZ-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430892125 230312242 /nfs/dbraw/zinc/31/22/42/230312242.db2.gz AXWRUWHIKHXYJZ-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430892125 230312248 /nfs/dbraw/zinc/31/22/48/230312248.db2.gz AXWRUWHIKHXYJZ-QWRGUYRKSA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000434702344 230318205 /nfs/dbraw/zinc/31/82/05/230318205.db2.gz CAYWSTNLCPVPHQ-NXEZZACHSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@H]1[NH2+]CCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H]1C ZINC000434668760 230319275 /nfs/dbraw/zinc/31/92/75/230319275.db2.gz COFJDCHLYGKEDL-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449731822 230345184 /nfs/dbraw/zinc/34/51/84/230345184.db2.gz XNOFRJPXGOYNMM-WDEREUQCSA-N 2 2 266.345 -1.371 20 0 CAADLP C[C@@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000479292913 230354855 /nfs/dbraw/zinc/35/48/55/230354855.db2.gz BUJRDOPKFQKTNS-WRWGMCAJSA-N 2 2 271.361 -1.065 20 0 CAADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000479292910 230355193 /nfs/dbraw/zinc/35/51/93/230355193.db2.gz BUJRDOPKFQKTNS-IRCOFANPSA-N 2 2 271.361 -1.065 20 0 CAADLP COCC[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000093171259 263038764 /nfs/dbraw/zinc/03/87/64/263038764.db2.gz PIGGDRGUVCPMGT-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP COCC[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000093171259 263038765 /nfs/dbraw/zinc/03/87/65/263038765.db2.gz PIGGDRGUVCPMGT-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000518974451 265266968 /nfs/dbraw/zinc/26/69/68/265266968.db2.gz LYJBYWFDQGVSKL-VIFPVBQESA-N 2 2 278.378 -1.973 20 0 CAADLP C[N@H+]1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000518974451 265266975 /nfs/dbraw/zinc/26/69/75/265266975.db2.gz LYJBYWFDQGVSKL-VIFPVBQESA-N 2 2 278.378 -1.973 20 0 CAADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237472938 269086832 /nfs/dbraw/zinc/08/68/32/269086832.db2.gz HXPCUPBOOJCGQV-NSHDSACASA-N 2 2 284.360 -1.663 20 0 CAADLP CC(C)C[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000236629581 269086842 /nfs/dbraw/zinc/08/68/42/269086842.db2.gz YKNXGIUZVSTVIB-JTQLQIEISA-N 2 2 256.350 -1.092 20 0 CAADLP COCC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237112543 269086951 /nfs/dbraw/zinc/08/69/51/269086951.db2.gz CZXCPWBZOMLGAP-UHFFFAOYSA-N 2 2 284.360 -1.791 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250373310 269087116 /nfs/dbraw/zinc/08/71/16/269087116.db2.gz JJSBTXPVHUVBEZ-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000250373310 269087118 /nfs/dbraw/zinc/08/71/18/269087118.db2.gz JJSBTXPVHUVBEZ-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP CC[NH+](CC)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236866338 269087252 /nfs/dbraw/zinc/08/72/52/269087252.db2.gz YNSXXVKUCWWTTM-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP C[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000237204578 269087314 /nfs/dbraw/zinc/08/73/14/269087314.db2.gz DAXITWPURCHISY-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000237750481 269087381 /nfs/dbraw/zinc/08/73/81/269087381.db2.gz LKIOLQNZOXFJFW-AWEZNQCLSA-N 2 2 298.387 -1.449 20 0 CAADLP O=C(CNC(=O)[C@H]1CCCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000238148258 269087384 /nfs/dbraw/zinc/08/73/84/269087384.db2.gz VKPMCEYQKIDEGY-GFCCVEGCSA-N 2 2 298.387 -1.307 20 0 CAADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000237204131 269087393 /nfs/dbraw/zinc/08/73/93/269087393.db2.gz DAXITWPURCHISY-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000237486775 269087501 /nfs/dbraw/zinc/08/75/01/269087501.db2.gz LKIOLQNZOXFJFW-CQSZACIVSA-N 2 2 298.387 -1.449 20 0 CAADLP [NH3+]CC1(NC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000238014759 269087506 /nfs/dbraw/zinc/08/75/06/269087506.db2.gz VGDWYLDILJPJDF-UHFFFAOYSA-N 2 2 254.334 -1.194 20 0 CAADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)C[NH+]1CCOCC1 ZINC000237403728 269087533 /nfs/dbraw/zinc/08/75/33/269087533.db2.gz RATFIIBBXILSTL-GFCCVEGCSA-N 2 2 298.387 -1.497 20 0 CAADLP C[C@H](CC[NH+](C)C)NC(=O)CN1CC[NH2+]CC1=O ZINC000237445107 269087585 /nfs/dbraw/zinc/08/75/85/269087585.db2.gz AASJMGNDEDCPKO-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000237136812 269087633 /nfs/dbraw/zinc/08/76/33/269087633.db2.gz YFPKXMHBVSZDBY-NSHDSACASA-N 2 2 268.361 -1.125 20 0 CAADLP CC[NH+]1CCN(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236881195 269087680 /nfs/dbraw/zinc/08/76/80/269087680.db2.gz CPXVJHGENVVGAW-UHFFFAOYSA-N 2 2 297.403 -1.828 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000517564943 269088749 /nfs/dbraw/zinc/08/87/49/269088749.db2.gz PBZNRIOAUMLYOY-SNVBAGLBSA-N 2 2 282.344 -1.373 20 0 CAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517235240 269088844 /nfs/dbraw/zinc/08/88/44/269088844.db2.gz JMRLHRMOXLAUSK-LBPRGKRZSA-N 2 2 299.419 -1.537 20 0 CAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517235240 269088846 /nfs/dbraw/zinc/08/88/46/269088846.db2.gz JMRLHRMOXLAUSK-LBPRGKRZSA-N 2 2 299.419 -1.537 20 0 CAADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000518564222 269089536 /nfs/dbraw/zinc/08/95/36/269089536.db2.gz KYKSLGNHIAFWOL-WDEREUQCSA-N 2 2 266.345 -1.149 20 0 CAADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000518564222 269089538 /nfs/dbraw/zinc/08/95/38/269089538.db2.gz KYKSLGNHIAFWOL-WDEREUQCSA-N 2 2 266.345 -1.149 20 0 CAADLP CN(C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000518564220 269089613 /nfs/dbraw/zinc/08/96/13/269089613.db2.gz KYKSLGNHIAFWOL-MNOVXSKESA-N 2 2 266.345 -1.149 20 0 CAADLP CN(C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000518564220 269089615 /nfs/dbraw/zinc/08/96/15/269089615.db2.gz KYKSLGNHIAFWOL-MNOVXSKESA-N 2 2 266.345 -1.149 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015658 269089970 /nfs/dbraw/zinc/08/99/70/269089970.db2.gz YVBFLSPOTVXOJM-NXEZZACHSA-N 2 2 295.343 -1.782 20 0 CAADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015661 269090099 /nfs/dbraw/zinc/09/00/99/269090099.db2.gz YVBFLSPOTVXOJM-ZJUUUORDSA-N 2 2 295.343 -1.782 20 0 CAADLP CCN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000522001312 269090149 /nfs/dbraw/zinc/09/01/49/269090149.db2.gz PKYSRISQMMVKGF-WDEREUQCSA-N 2 2 268.361 -1.044 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000522137991 269090273 /nfs/dbraw/zinc/09/02/73/269090273.db2.gz WFJVJMDZVBOIFQ-LBPRGKRZSA-N 2 2 298.387 -1.497 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000522137991 269090275 /nfs/dbraw/zinc/09/02/75/269090275.db2.gz WFJVJMDZVBOIFQ-LBPRGKRZSA-N 2 2 298.387 -1.497 20 0 CAADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529377111 269093638 /nfs/dbraw/zinc/09/36/38/269093638.db2.gz XJKVEIFHOFWWQZ-GFCCVEGCSA-N 2 2 286.376 -1.052 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197057687 782047372 /nfs/dbraw/zinc/04/73/72/782047372.db2.gz FZGCQQASOIEVIE-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001197048586 782045865 /nfs/dbraw/zinc/04/58/65/782045865.db2.gz DTCACTUZLACGCK-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001197048586 782045868 /nfs/dbraw/zinc/04/58/68/782045868.db2.gz DTCACTUZLACGCK-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001197048587 782045954 /nfs/dbraw/zinc/04/59/54/782045954.db2.gz DTCACTUZLACGCK-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001197048587 782045959 /nfs/dbraw/zinc/04/59/59/782045959.db2.gz DTCACTUZLACGCK-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197057687 782047361 /nfs/dbraw/zinc/04/73/61/782047361.db2.gz FZGCQQASOIEVIE-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197044524 782046677 /nfs/dbraw/zinc/04/66/77/782046677.db2.gz SUCNXYPLENWYIQ-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP C[NH+](C)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197044524 782046684 /nfs/dbraw/zinc/04/66/84/782046684.db2.gz SUCNXYPLENWYIQ-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000424188704 277151128 /nfs/dbraw/zinc/15/11/28/277151128.db2.gz YUCZKXJMGBXUOA-SRVKXCTJSA-N 2 2 269.345 -1.094 20 0 CAADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3COCC[NH2+]3)[C@H]2C1 ZINC000424188704 277151129 /nfs/dbraw/zinc/15/11/29/277151129.db2.gz YUCZKXJMGBXUOA-SRVKXCTJSA-N 2 2 269.345 -1.094 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430802562 278278945 /nfs/dbraw/zinc/27/89/45/278278945.db2.gz NCDMHIRCCJIGDQ-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429673711 278320103 /nfs/dbraw/zinc/32/01/03/278320103.db2.gz WGDHSZSWODMKRJ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429673711 278320104 /nfs/dbraw/zinc/32/01/04/278320104.db2.gz WGDHSZSWODMKRJ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@@H+]1C[C@@H](C)O ZINC000438885217 280366066 /nfs/dbraw/zinc/36/60/66/280366066.db2.gz SNCMNAVQEHVUOI-MXWKQRLJSA-N 2 2 286.376 -1.507 20 0 CAADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@H+]1C[C@@H](C)O ZINC000438885217 280366069 /nfs/dbraw/zinc/36/60/69/280366069.db2.gz SNCMNAVQEHVUOI-MXWKQRLJSA-N 2 2 286.376 -1.507 20 0 CAADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCNC(=O)C1)C1CC1 ZINC000430566448 289108272 /nfs/dbraw/zinc/10/82/72/289108272.db2.gz CJQAARHYIIVZAN-LBPRGKRZSA-N 2 2 254.334 -1.338 20 0 CAADLP C[C@@]1(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC[NH2+]C1 ZINC000261894732 289164706 /nfs/dbraw/zinc/16/47/06/289164706.db2.gz UQOAYALMWUIJOB-GXFFZTMASA-N 2 2 266.345 -1.371 20 0 CAADLP C[NH+](C)C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCO1 ZINC000105904412 289202922 /nfs/dbraw/zinc/20/29/22/289202922.db2.gz OKKGRUOPNBRHHY-ZIAGYGMSSA-N 2 2 287.404 -1.058 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197536219 782053496 /nfs/dbraw/zinc/05/34/96/782053496.db2.gz PCDFUQDBIFRCRH-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197536219 782053505 /nfs/dbraw/zinc/05/35/05/782053505.db2.gz PCDFUQDBIFRCRH-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197536219 782053516 /nfs/dbraw/zinc/05/35/16/782053516.db2.gz PCDFUQDBIFRCRH-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1O ZINC001197536219 782053523 /nfs/dbraw/zinc/05/35/23/782053523.db2.gz PCDFUQDBIFRCRH-GRYCIOLGSA-N 2 2 298.387 -1.622 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000330477160 290075758 /nfs/dbraw/zinc/07/57/58/290075758.db2.gz LQYHJPPSQCHTKU-VXGBXAGGSA-N 2 2 287.360 -1.874 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000330477160 290075761 /nfs/dbraw/zinc/07/57/61/290075761.db2.gz LQYHJPPSQCHTKU-VXGBXAGGSA-N 2 2 287.360 -1.874 20 0 CAADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000190855438 290079932 /nfs/dbraw/zinc/07/99/32/290079932.db2.gz RXJLEWQIDPUKIY-RYUDHWBXSA-N 2 2 273.377 -1.176 20 0 CAADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO ZINC000190855438 290079937 /nfs/dbraw/zinc/07/99/37/290079937.db2.gz RXJLEWQIDPUKIY-RYUDHWBXSA-N 2 2 273.377 -1.176 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001197493529 782054701 /nfs/dbraw/zinc/05/47/01/782054701.db2.gz QVRAVFSNVZDBJL-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001197493529 782054706 /nfs/dbraw/zinc/05/47/06/782054706.db2.gz QVRAVFSNVZDBJL-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001197493529 782054714 /nfs/dbraw/zinc/05/47/14/782054714.db2.gz QVRAVFSNVZDBJL-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1O ZINC001197493529 782054720 /nfs/dbraw/zinc/05/47/20/782054720.db2.gz QVRAVFSNVZDBJL-HBNTYKKESA-N 2 2 286.376 -1.637 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001197493528 782055056 /nfs/dbraw/zinc/05/50/56/782055056.db2.gz QVRAVFSNVZDBJL-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)C(N)=O)C[C@H]1O ZINC001197493528 782055066 /nfs/dbraw/zinc/05/50/66/782055066.db2.gz QVRAVFSNVZDBJL-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001197493528 782055079 /nfs/dbraw/zinc/05/50/79/782055079.db2.gz QVRAVFSNVZDBJL-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1O ZINC001197493528 782055092 /nfs/dbraw/zinc/05/50/92/782055092.db2.gz QVRAVFSNVZDBJL-GMTAPVOTSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197536220 782055454 /nfs/dbraw/zinc/05/54/54/782055454.db2.gz PCDFUQDBIFRCRH-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197536220 782055420 /nfs/dbraw/zinc/05/54/20/782055420.db2.gz PCDFUQDBIFRCRH-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197536220 782055432 /nfs/dbraw/zinc/05/54/32/782055432.db2.gz PCDFUQDBIFRCRH-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001197536220 782055443 /nfs/dbraw/zinc/05/54/43/782055443.db2.gz PCDFUQDBIFRCRH-IJLUTSLNSA-N 2 2 298.387 -1.622 20 0 CAADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424144877 295325028 /nfs/dbraw/zinc/32/50/28/295325028.db2.gz MJTYWOFVEGPHER-GRYCIOLGSA-N 2 2 296.371 -1.617 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001198276767 782063427 /nfs/dbraw/zinc/06/34/27/782063427.db2.gz VRVFJHLADLZJHR-CHWSQXEVSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198276767 782063441 /nfs/dbraw/zinc/06/34/41/782063441.db2.gz VRVFJHLADLZJHR-CHWSQXEVSA-N 2 2 296.371 -1.104 20 0 CAADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000262406873 298519713 /nfs/dbraw/zinc/51/97/13/298519713.db2.gz QCSHFJNXLVKBBY-SECBINFHSA-N 2 2 256.350 -1.011 20 0 CAADLP C[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000479258673 300179088 /nfs/dbraw/zinc/17/90/88/300179088.db2.gz JWEQMGPSEHGTCE-UMSGYPCISA-N 2 2 283.372 -1.112 20 0 CAADLP O=C(C[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCOCC1 ZINC000091299124 303645783 /nfs/dbraw/zinc/64/57/83/303645783.db2.gz POPHOISHVJHPKN-LLVKDONJSA-N 2 2 257.334 -1.187 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[C@H]1CCC[NH2+]1 ZINC000570800716 327620656 /nfs/dbraw/zinc/62/06/56/327620656.db2.gz YYGKFDZLXLOGQW-SNVBAGLBSA-N 2 2 254.334 -1.324 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199104962 782074188 /nfs/dbraw/zinc/07/41/88/782074188.db2.gz XYAMISRYNTYAGG-IJLUTSLNSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199104962 782074190 /nfs/dbraw/zinc/07/41/90/782074190.db2.gz XYAMISRYNTYAGG-IJLUTSLNSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199104962 782074192 /nfs/dbraw/zinc/07/41/92/782074192.db2.gz XYAMISRYNTYAGG-IJLUTSLNSA-N 2 2 298.387 -1.624 20 0 CAADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001199104962 782074196 /nfs/dbraw/zinc/07/41/96/782074196.db2.gz XYAMISRYNTYAGG-IJLUTSLNSA-N 2 2 298.387 -1.624 20 0 CAADLP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406299 782081059 /nfs/dbraw/zinc/08/10/59/782081059.db2.gz SSQGVHMNVCIUKK-IJLUTSLNSA-N 2 2 298.343 -1.948 20 0 CAADLP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406299 782081064 /nfs/dbraw/zinc/08/10/64/782081064.db2.gz SSQGVHMNVCIUKK-IJLUTSLNSA-N 2 2 298.343 -1.948 20 0 CAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199398897 782081107 /nfs/dbraw/zinc/08/11/07/782081107.db2.gz XUXTVMSVTUMQQH-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199398897 782081116 /nfs/dbraw/zinc/08/11/16/782081116.db2.gz XUXTVMSVTUMQQH-VXGBXAGGSA-N 2 2 282.344 -1.183 20 0 CAADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152620541 782082265 /nfs/dbraw/zinc/08/22/65/782082265.db2.gz NYVICKGJOJIHTE-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152620541 782082274 /nfs/dbraw/zinc/08/22/74/782082274.db2.gz NYVICKGJOJIHTE-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152620541 782082281 /nfs/dbraw/zinc/08/22/81/782082281.db2.gz NYVICKGJOJIHTE-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CC[NH+](CC(N)=O)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152620541 782082284 /nfs/dbraw/zinc/08/22/84/782082284.db2.gz NYVICKGJOJIHTE-GHMZBOCLSA-N 2 2 286.376 -1.371 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001199355076 782077508 /nfs/dbraw/zinc/07/75/08/782077508.db2.gz CPCGUAUOOJZFBF-SDDRHHMPSA-N 2 2 291.359 -1.720 20 0 CAADLP NS(=O)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000583694245 329004585 /nfs/dbraw/zinc/00/45/85/329004585.db2.gz KCDIAWFBCCVOAY-UHFFFAOYSA-N 2 2 277.394 -2.287 20 0 CAADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CCO)CC1 ZINC000534268994 328042722 /nfs/dbraw/zinc/04/27/22/328042722.db2.gz PILFIMJRNXIRJD-ZDUSSCGKSA-N 2 2 282.388 -1.487 20 0 CAADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+](CCO)CC1 ZINC000534268994 328042724 /nfs/dbraw/zinc/04/27/24/328042724.db2.gz PILFIMJRNXIRJD-ZDUSSCGKSA-N 2 2 282.388 -1.487 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2CN(CCC[NH+]3CCOCC3)CCN2C1=O ZINC000563442033 328066495 /nfs/dbraw/zinc/06/64/95/328066495.db2.gz NJLHUNIFHHQOCV-CHWSQXEVSA-N 2 2 282.388 -1.048 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563453545 328067623 /nfs/dbraw/zinc/06/76/23/328067623.db2.gz DGWVWFBHRUZMAF-MNOVXSKESA-N 2 2 284.360 -1.699 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC000310421485 328076644 /nfs/dbraw/zinc/07/66/44/328076644.db2.gz QSMWFOIBTVEMIL-SNVBAGLBSA-N 2 2 265.379 -1.420 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC000310421485 328076646 /nfs/dbraw/zinc/07/66/46/328076646.db2.gz QSMWFOIBTVEMIL-SNVBAGLBSA-N 2 2 265.379 -1.420 20 0 CAADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563628558 328078528 /nfs/dbraw/zinc/07/85/28/328078528.db2.gz DAGLHTXOIJEUCP-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000563628558 328078530 /nfs/dbraw/zinc/07/85/30/328078530.db2.gz DAGLHTXOIJEUCP-QWRGUYRKSA-N 2 2 279.406 -1.030 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2CN=NC2=O)[C@H](C[NH3+])C1 ZINC000571162503 328089497 /nfs/dbraw/zinc/08/94/97/328089497.db2.gz CSCYDONXLCORTG-MRVPVSSYSA-N 2 2 254.294 -1.915 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2CN=NC2=O)[C@H](C[NH3+])C1 ZINC000571162503 328089499 /nfs/dbraw/zinc/08/94/99/328089499.db2.gz CSCYDONXLCORTG-MRVPVSSYSA-N 2 2 254.294 -1.915 20 0 CAADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000571336848 328111447 /nfs/dbraw/zinc/11/14/47/328111447.db2.gz PLJXEWMLINZDBA-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000571336848 328111448 /nfs/dbraw/zinc/11/14/48/328111448.db2.gz PLJXEWMLINZDBA-MNOVXSKESA-N 2 2 279.406 -1.030 20 0 CAADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000571404514 328119565 /nfs/dbraw/zinc/11/95/65/328119565.db2.gz SMZUIKVHKUDNKP-JTQLQIEISA-N 2 2 254.334 -1.385 20 0 CAADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000571404514 328119566 /nfs/dbraw/zinc/11/95/66/328119566.db2.gz SMZUIKVHKUDNKP-JTQLQIEISA-N 2 2 254.334 -1.385 20 0 CAADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000571404528 328119570 /nfs/dbraw/zinc/11/95/70/328119570.db2.gz SMZUIKVHKUDNKP-SNVBAGLBSA-N 2 2 254.334 -1.385 20 0 CAADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000571404528 328119571 /nfs/dbraw/zinc/11/95/71/328119571.db2.gz SMZUIKVHKUDNKP-SNVBAGLBSA-N 2 2 254.334 -1.385 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345571 329283053 /nfs/dbraw/zinc/28/30/53/329283053.db2.gz AVXJXKYLAOGFPS-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345571 329283054 /nfs/dbraw/zinc/28/30/54/329283054.db2.gz AVXJXKYLAOGFPS-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345571 329283055 /nfs/dbraw/zinc/28/30/55/329283055.db2.gz AVXJXKYLAOGFPS-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395345571 329283056 /nfs/dbraw/zinc/28/30/56/329283056.db2.gz AVXJXKYLAOGFPS-QJPTWQEYSA-N 2 2 262.350 -1.383 20 0 CAADLP [NH3+]CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(F)(F)F ZINC000583934082 326801102 /nfs/dbraw/zinc/80/11/02/326801102.db2.gz LGJUZLJWTRBGFJ-SSDOTTSWSA-N 2 2 282.266 -1.186 20 0 CAADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[NH3+] ZINC000569342218 327098679 /nfs/dbraw/zinc/09/86/79/327098679.db2.gz ZYAIHFZNSDLFFM-UHFFFAOYSA-N 2 2 259.306 -1.721 20 0 CAADLP C[C@@H]1C[N@@H+](C[C@H](O)CN[C@H](CO)C[NH+](C)C)C[C@H](C)O1 ZINC000564975657 327302228 /nfs/dbraw/zinc/30/22/28/327302228.db2.gz LYEVPYIFTZYZAL-RFQIPJPRSA-N 2 2 289.420 -1.031 20 0 CAADLP C[C@@H]1C[N@H+](C[C@H](O)CN[C@H](CO)C[NH+](C)C)C[C@H](C)O1 ZINC000564975657 327302229 /nfs/dbraw/zinc/30/22/29/327302229.db2.gz LYEVPYIFTZYZAL-RFQIPJPRSA-N 2 2 289.420 -1.031 20 0 CAADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H](CO)C[NH+](C)C)C[C@@H](C)O1 ZINC000564975652 327302274 /nfs/dbraw/zinc/30/22/74/327302274.db2.gz LYEVPYIFTZYZAL-AAVRWANBSA-N 2 2 289.420 -1.031 20 0 CAADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000583412485 327350204 /nfs/dbraw/zinc/35/02/04/327350204.db2.gz HBJIWJQFWDZUGT-SECBINFHSA-N 2 2 258.322 -1.118 20 0 CAADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000583412485 327350206 /nfs/dbraw/zinc/35/02/06/327350206.db2.gz HBJIWJQFWDZUGT-SECBINFHSA-N 2 2 258.322 -1.118 20 0 CAADLP CCN1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000561218130 327376608 /nfs/dbraw/zinc/37/66/08/327376608.db2.gz SCDNAMYQRDRMMV-QWRGUYRKSA-N 2 2 283.376 -1.109 20 0 CAADLP CCN1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000561218130 327376609 /nfs/dbraw/zinc/37/66/09/327376609.db2.gz SCDNAMYQRDRMMV-QWRGUYRKSA-N 2 2 283.376 -1.109 20 0 CAADLP CCCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494488 327398907 /nfs/dbraw/zinc/39/89/07/327398907.db2.gz ABIJYRONMVFECU-NXEZZACHSA-N 2 2 297.359 -1.534 20 0 CAADLP CCCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494488 327398909 /nfs/dbraw/zinc/39/89/09/327398909.db2.gz ABIJYRONMVFECU-NXEZZACHSA-N 2 2 297.359 -1.534 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583705289 329086498 /nfs/dbraw/zinc/08/64/98/329086498.db2.gz RKMZOYWYCDLLOM-JTQLQIEISA-N 2 2 283.376 -1.061 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582677416 329126992 /nfs/dbraw/zinc/12/69/92/329126992.db2.gz PWQRXXIYSDIIIQ-AGIUHOORSA-N 2 2 282.388 -1.049 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582677419 329127262 /nfs/dbraw/zinc/12/72/62/329127262.db2.gz PWQRXXIYSDIIIQ-FRRDWIJNSA-N 2 2 282.388 -1.049 20 0 CAADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000572420237 330066510 /nfs/dbraw/zinc/06/65/10/330066510.db2.gz QVEOJMCDLCSCJP-LLVKDONJSA-N 2 2 259.350 -1.397 20 0 CAADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000572420237 330066512 /nfs/dbraw/zinc/06/65/12/330066512.db2.gz QVEOJMCDLCSCJP-LLVKDONJSA-N 2 2 259.350 -1.397 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000572405466 330064180 /nfs/dbraw/zinc/06/41/80/330064180.db2.gz NENVSSJATZAQFC-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000572405466 330064181 /nfs/dbraw/zinc/06/41/81/330064181.db2.gz NENVSSJATZAQFC-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP Cn1c(=O)ccn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000162541732 330066187 /nfs/dbraw/zinc/06/61/87/330066187.db2.gz IZCWJOYMSBAAQM-JTQLQIEISA-N 2 2 295.343 -2.352 20 0 CAADLP Cn1c(=O)ccn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000162541732 330066188 /nfs/dbraw/zinc/06/61/88/330066188.db2.gz IZCWJOYMSBAAQM-JTQLQIEISA-N 2 2 295.343 -2.352 20 0 CAADLP Cn1c(=O)ccn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1=O ZINC000162541857 330066210 /nfs/dbraw/zinc/06/62/10/330066210.db2.gz IZCWJOYMSBAAQM-SNVBAGLBSA-N 2 2 295.343 -2.352 20 0 CAADLP Cn1c(=O)ccn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1=O ZINC000162541857 330066212 /nfs/dbraw/zinc/06/62/12/330066212.db2.gz IZCWJOYMSBAAQM-SNVBAGLBSA-N 2 2 295.343 -2.352 20 0 CAADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000572420238 330066536 /nfs/dbraw/zinc/06/65/36/330066536.db2.gz QVEOJMCDLCSCJP-NSHDSACASA-N 2 2 259.350 -1.397 20 0 CAADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000572420238 330066537 /nfs/dbraw/zinc/06/65/37/330066537.db2.gz QVEOJMCDLCSCJP-NSHDSACASA-N 2 2 259.350 -1.397 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)CCN2C1=O ZINC000572424243 330067593 /nfs/dbraw/zinc/06/75/93/330067593.db2.gz AVOGWMPMOPFYPK-GRYCIOLGSA-N 2 2 296.371 -1.475 20 0 CAADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)CCN2C1=O ZINC000572424243 330067594 /nfs/dbraw/zinc/06/75/94/330067594.db2.gz AVOGWMPMOPFYPK-GRYCIOLGSA-N 2 2 296.371 -1.475 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)CCN2C1=O ZINC000572424246 330067639 /nfs/dbraw/zinc/06/76/39/330067639.db2.gz AVOGWMPMOPFYPK-SDDRHHMPSA-N 2 2 296.371 -1.475 20 0 CAADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)CCN2C1=O ZINC000572424246 330067640 /nfs/dbraw/zinc/06/76/40/330067640.db2.gz AVOGWMPMOPFYPK-SDDRHHMPSA-N 2 2 296.371 -1.475 20 0 CAADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000580467157 330143797 /nfs/dbraw/zinc/14/37/97/330143797.db2.gz UJIKCMOQFBBYOC-WOPDTQHZSA-N 2 2 298.387 -1.310 20 0 CAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000575431248 335103901 /nfs/dbraw/zinc/10/39/01/335103901.db2.gz YNNIEAPEFXSQPW-NWDGAFQWSA-N 2 2 286.376 -1.317 20 0 CAADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000516926709 333086645 /nfs/dbraw/zinc/08/66/45/333086645.db2.gz XUCVRSBYLNTMRN-VHSXEESVSA-N 2 2 254.334 -1.386 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000572528986 333382932 /nfs/dbraw/zinc/38/29/32/333382932.db2.gz DMCSSOJEDQLONK-VXGBXAGGSA-N 3 2 272.393 -1.210 20 0 CAADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000572528986 333382933 /nfs/dbraw/zinc/38/29/33/333382933.db2.gz DMCSSOJEDQLONK-VXGBXAGGSA-N 3 2 272.393 -1.210 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000575983931 335137840 /nfs/dbraw/zinc/13/78/40/335137840.db2.gz GRRZJTVLFKUXPU-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000576037060 335143853 /nfs/dbraw/zinc/14/38/53/335143853.db2.gz JQGGBOOSNZJTJV-UHFFFAOYSA-N 2 2 268.361 -1.124 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000564209399 333614403 /nfs/dbraw/zinc/61/44/03/333614403.db2.gz QDUQVPKLWRELHL-AOOOYVTPSA-N 2 2 252.318 -1.904 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564331228 334118930 /nfs/dbraw/zinc/11/89/30/334118930.db2.gz UAUSPVJNWVNZSH-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000564331228 334118931 /nfs/dbraw/zinc/11/89/31/334118931.db2.gz UAUSPVJNWVNZSH-VHSXEESVSA-N 2 2 254.334 -1.244 20 0 CAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000552309036 334315401 /nfs/dbraw/zinc/31/54/01/334315401.db2.gz SWGDGBQSFDAOLC-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000552309036 334315403 /nfs/dbraw/zinc/31/54/03/334315403.db2.gz SWGDGBQSFDAOLC-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000552309035 334315446 /nfs/dbraw/zinc/31/54/46/334315446.db2.gz SWGDGBQSFDAOLC-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000552309035 334315447 /nfs/dbraw/zinc/31/54/47/334315447.db2.gz SWGDGBQSFDAOLC-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000564889637 334526525 /nfs/dbraw/zinc/52/65/25/334526525.db2.gz DFUQQZQKYWDTDR-VIFPVBQESA-N 2 2 259.306 -1.675 20 0 CAADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000566204567 334635790 /nfs/dbraw/zinc/63/57/90/334635790.db2.gz PBXXPMPWHSYBQU-VHSXEESVSA-N 2 2 254.334 -1.468 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(CC[NH2+]2)CC1 ZINC000566209842 334635909 /nfs/dbraw/zinc/63/59/09/334635909.db2.gz WMYKICRRTUHXCO-UHFFFAOYSA-N 2 2 266.345 -1.227 20 0 CAADLP C[N@@H+]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C[NH3+])C1 ZINC000576346816 335192422 /nfs/dbraw/zinc/19/24/22/335192422.db2.gz ZTVGDZROSCFREO-VIFPVBQESA-N 2 2 297.359 -1.582 20 0 CAADLP C[N@H+]1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](C[NH3+])C1 ZINC000576346816 335192423 /nfs/dbraw/zinc/19/24/23/335192423.db2.gz ZTVGDZROSCFREO-VIFPVBQESA-N 2 2 297.359 -1.582 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000576584248 335222243 /nfs/dbraw/zinc/22/22/43/335222243.db2.gz BQZTWIJTJPUWAT-QMMMGPOBSA-N 2 2 276.287 -1.516 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580560643 335281229 /nfs/dbraw/zinc/28/12/29/335281229.db2.gz QKRUPTZOALZITP-QWRGUYRKSA-N 2 2 266.345 -1.371 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580560644 335281318 /nfs/dbraw/zinc/28/13/18/335281318.db2.gz QKRUPTZOALZITP-WDEREUQCSA-N 2 2 266.345 -1.371 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000577111159 335301856 /nfs/dbraw/zinc/30/18/56/335301856.db2.gz MUWITLCTMXOENO-LBPRGKRZSA-N 3 2 270.377 -1.190 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000577111159 335301857 /nfs/dbraw/zinc/30/18/57/335301857.db2.gz MUWITLCTMXOENO-LBPRGKRZSA-N 3 2 270.377 -1.190 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000577111158 335301910 /nfs/dbraw/zinc/30/19/10/335301910.db2.gz MUWITLCTMXOENO-GFCCVEGCSA-N 3 2 270.377 -1.190 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000577111158 335301912 /nfs/dbraw/zinc/30/19/12/335301912.db2.gz MUWITLCTMXOENO-GFCCVEGCSA-N 3 2 270.377 -1.190 20 0 CAADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000577766212 335399180 /nfs/dbraw/zinc/39/91/80/335399180.db2.gz WXHINEQKHVZPPR-TUAOUCFPSA-N 2 2 262.350 -1.071 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578355103 335618814 /nfs/dbraw/zinc/61/88/14/335618814.db2.gz XFRGXGWHWKLJTD-GFCCVEGCSA-N 2 2 295.387 -2.076 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[N@@H+]1CCCOCC1 ZINC000581249562 336031893 /nfs/dbraw/zinc/03/18/93/336031893.db2.gz JNRMYQXKYCIVNE-UHFFFAOYSA-N 2 2 284.360 -1.743 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NCC[N@H+]1CCCOCC1 ZINC000581249562 336031894 /nfs/dbraw/zinc/03/18/94/336031894.db2.gz JNRMYQXKYCIVNE-UHFFFAOYSA-N 2 2 284.360 -1.743 20 0 CAADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC(N)=O)C2 ZINC001274062261 782132607 /nfs/dbraw/zinc/13/26/07/782132607.db2.gz NZUNGPVPEVTQMD-CQSZACIVSA-N 2 2 298.387 -1.416 20 0 CAADLP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(N)=O)C2 ZINC001274062261 782132614 /nfs/dbraw/zinc/13/26/14/782132614.db2.gz NZUNGPVPEVTQMD-CQSZACIVSA-N 2 2 298.387 -1.416 20 0 CAADLP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062730 782134314 /nfs/dbraw/zinc/13/43/14/782134314.db2.gz WCDDWEFRFSGQMZ-CYBMUJFWSA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062730 782134319 /nfs/dbraw/zinc/13/43/19/782134319.db2.gz WCDDWEFRFSGQMZ-CYBMUJFWSA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC(N)=O)C2)OCC1=O ZINC001274062731 782134751 /nfs/dbraw/zinc/13/47/51/782134751.db2.gz WCDDWEFRFSGQMZ-ZDUSSCGKSA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CC(N)=O)C2)OCC1=O ZINC001274062731 782134756 /nfs/dbraw/zinc/13/47/56/782134756.db2.gz WCDDWEFRFSGQMZ-ZDUSSCGKSA-N 2 2 284.360 -1.663 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001274499626 782148633 /nfs/dbraw/zinc/14/86/33/782148633.db2.gz WYUYSMZMOYRAFE-IHWYPQMZSA-N 2 2 265.317 -1.290 20 0 CAADLP CC[NH2+]CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000844171533 582216331 /nfs/dbraw/zinc/21/63/31/582216331.db2.gz KKFOWCQIJBQGGL-UHFFFAOYSA-N 2 2 256.350 -1.124 20 0 CAADLP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262416610 533753782 /nfs/dbraw/zinc/75/37/82/533753782.db2.gz RFMMXGQBEUPUQF-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000419722683 533809572 /nfs/dbraw/zinc/80/95/72/533809572.db2.gz MUPZEJMWUSCICI-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423614098 534007219 /nfs/dbraw/zinc/00/72/19/534007219.db2.gz WSKAUCROWNZKSD-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000431029940 534058676 /nfs/dbraw/zinc/05/86/76/534058676.db2.gz IEGGOLACJFEKME-GFCCVEGCSA-N 2 2 297.403 -1.830 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217761016 534065894 /nfs/dbraw/zinc/06/58/94/534065894.db2.gz HIXVZPMARZSVRH-MXWKQRLJSA-N 2 2 257.334 -1.454 20 0 CAADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000430729322 534080307 /nfs/dbraw/zinc/08/03/07/534080307.db2.gz OGIPWJDZUYJYGN-RYUDHWBXSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@H](O)C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000430729322 534080313 /nfs/dbraw/zinc/08/03/13/534080313.db2.gz OGIPWJDZUYJYGN-RYUDHWBXSA-N 2 2 298.387 -1.668 20 0 CAADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000333694595 534104031 /nfs/dbraw/zinc/10/40/31/534104031.db2.gz QDBNMFAMYMAIPW-GBIKHYSHSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000333694598 534108397 /nfs/dbraw/zinc/10/83/97/534108397.db2.gz QDBNMFAMYMAIPW-GIPNMCIBSA-N 2 2 268.361 -1.079 20 0 CAADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000434702346 534122289 /nfs/dbraw/zinc/12/22/89/534122289.db2.gz CAYWSTNLCPVPHQ-VHSXEESVSA-N 2 2 254.334 -1.325 20 0 CAADLP C[C@@H]1[NH2+]CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H]1C ZINC000434668761 534126267 /nfs/dbraw/zinc/12/62/67/534126267.db2.gz COFJDCHLYGKEDL-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C[NH2+]1 ZINC000237421884 534304620 /nfs/dbraw/zinc/30/46/20/534304620.db2.gz MGUBAWXAKXFRER-NXEZZACHSA-N 2 2 254.334 -1.373 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367147983 534339608 /nfs/dbraw/zinc/33/96/08/534339608.db2.gz ISKGOMAZPAAOLU-CYBMUJFWSA-N 2 2 282.388 -1.175 20 0 CAADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367147983 534339616 /nfs/dbraw/zinc/33/96/16/534339616.db2.gz ISKGOMAZPAAOLU-CYBMUJFWSA-N 2 2 282.388 -1.175 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000479258668 534388910 /nfs/dbraw/zinc/38/89/10/534388910.db2.gz JWEQMGPSEHGTCE-FDYHWXHSSA-N 2 2 283.372 -1.112 20 0 CAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000432518426 534391058 /nfs/dbraw/zinc/39/10/58/534391058.db2.gz JWEQMGPSEHGTCE-YVECIDJPSA-N 2 2 283.372 -1.112 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353187662 519766215 /nfs/dbraw/zinc/76/62/15/519766215.db2.gz TUUVIOCJSWGIST-LLVKDONJSA-N 2 2 286.376 -1.242 20 0 CAADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353187663 519766369 /nfs/dbraw/zinc/76/63/69/519766369.db2.gz TUUVIOCJSWGIST-NSHDSACASA-N 2 2 286.376 -1.242 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967859 782162358 /nfs/dbraw/zinc/16/23/58/782162358.db2.gz OMHFMNMUYVGXDS-MRVPVSSYSA-N 2 2 253.306 -1.208 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000431039048 534538325 /nfs/dbraw/zinc/53/83/25/534538325.db2.gz GMDVZVSYBBORRP-SNVBAGLBSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000431039048 534538331 /nfs/dbraw/zinc/53/83/31/534538331.db2.gz GMDVZVSYBBORRP-SNVBAGLBSA-N 2 2 266.345 -1.229 20 0 CAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000261828911 534580700 /nfs/dbraw/zinc/58/07/00/534580700.db2.gz YQUBYZDGXZHDKG-LLVKDONJSA-N 2 2 284.360 -1.697 20 0 CAADLP O=C(CNC(=O)[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000166085180 534580771 /nfs/dbraw/zinc/58/07/71/534580771.db2.gz UBDAKIWEZMPBEM-LBPRGKRZSA-N 2 2 298.387 -1.449 20 0 CAADLP O=C(CNC(=O)C[NH2+]CC1CC1)NCC[NH+]1CCOCC1 ZINC000431064210 534590911 /nfs/dbraw/zinc/59/09/11/534590911.db2.gz IGCYCNTVJNIWJU-UHFFFAOYSA-N 2 2 298.387 -1.449 20 0 CAADLP [NH3+]CCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178804252 534598293 /nfs/dbraw/zinc/59/82/93/534598293.db2.gz OXMDMZKHQYZDJK-LBPRGKRZSA-N 2 2 298.387 -1.225 20 0 CAADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1COCC[NH2+]1 ZINC000424185013 534600964 /nfs/dbraw/zinc/60/09/64/534600964.db2.gz ZBSHCKFXEWDOHN-VXGBXAGGSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1COCC[NH2+]1 ZINC000424185013 534600970 /nfs/dbraw/zinc/60/09/70/534600970.db2.gz ZBSHCKFXEWDOHN-VXGBXAGGSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[NH2+]CCO1 ZINC000424181938 534601910 /nfs/dbraw/zinc/60/19/10/534601910.db2.gz SDCXDRNRNCIANU-VXGBXAGGSA-N 2 2 269.345 -1.046 20 0 CAADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[NH2+]CCO1 ZINC000424181938 534601914 /nfs/dbraw/zinc/60/19/14/534601914.db2.gz SDCXDRNRNCIANU-VXGBXAGGSA-N 2 2 269.345 -1.046 20 0 CAADLP C[N@H+](CC(=O)NCC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031316 522475125 /nfs/dbraw/zinc/47/51/25/522475125.db2.gz CHLCJMXMKRPUQV-UHFFFAOYSA-N 2 2 268.361 -1.124 20 0 CAADLP C[N@@H+](CC(=O)NCC1CC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031316 522475131 /nfs/dbraw/zinc/47/51/31/522475131.db2.gz CHLCJMXMKRPUQV-UHFFFAOYSA-N 2 2 268.361 -1.124 20 0 CAADLP CN1CCO[C@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000357309621 523873813 /nfs/dbraw/zinc/87/38/13/523873813.db2.gz WBPYBJSROXYSGO-STQMWFEESA-N 2 2 282.388 -1.225 20 0 CAADLP CN1CCO[C@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC000357309621 523873816 /nfs/dbraw/zinc/87/38/16/523873816.db2.gz WBPYBJSROXYSGO-STQMWFEESA-N 2 2 282.388 -1.225 20 0 CAADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000299392068 524043994 /nfs/dbraw/zinc/04/39/94/524043994.db2.gz UZWSNGBRPGLQKO-UHFFFAOYSA-N 2 2 285.348 -1.723 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043710871 524353765 /nfs/dbraw/zinc/35/37/65/524353765.db2.gz KQLCVQSCUFSVBP-MNOVXSKESA-N 2 2 257.334 -1.188 20 0 CAADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000188071260 524453424 /nfs/dbraw/zinc/45/34/24/524453424.db2.gz KKYATTWWBWSNBG-GHMZBOCLSA-N 2 2 257.334 -1.188 20 0 CAADLP O=C1NC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000182862765 534788454 /nfs/dbraw/zinc/78/84/54/534788454.db2.gz SBHVBPOOXBPYGA-NSHDSACASA-N 2 2 277.328 -1.084 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000182862765 534788461 /nfs/dbraw/zinc/78/84/61/534788461.db2.gz SBHVBPOOXBPYGA-NSHDSACASA-N 2 2 277.328 -1.084 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043710872 524628914 /nfs/dbraw/zinc/62/89/14/524628914.db2.gz KQLCVQSCUFSVBP-WDEREUQCSA-N 2 2 257.334 -1.188 20 0 CAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]1 ZINC000444264977 534797199 /nfs/dbraw/zinc/79/71/99/534797199.db2.gz KRZNSRVYYIPOIA-NWDGAFQWSA-N 2 2 296.371 -1.602 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262333196 526625686 /nfs/dbraw/zinc/62/56/86/526625686.db2.gz SJIABVOMVRFPMC-YPMHNXCESA-N 2 2 298.387 -1.356 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000430743201 526625840 /nfs/dbraw/zinc/62/58/40/526625840.db2.gz JRGRSJXHIGCVMN-GFCCVEGCSA-N 2 2 268.361 -1.124 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446260923 526626575 /nfs/dbraw/zinc/62/65/75/526626575.db2.gz STUAVEGYAXFVPY-NWDGAFQWSA-N 2 2 286.351 -1.033 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000430743204 526626753 /nfs/dbraw/zinc/62/67/53/526626753.db2.gz JRGRSJXHIGCVMN-LBPRGKRZSA-N 2 2 268.361 -1.124 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)C[NH3+])CC1 ZINC000262324655 526626951 /nfs/dbraw/zinc/62/69/51/526626951.db2.gz FTJUOVKMTPMXHF-SNVBAGLBSA-N 2 2 256.350 -1.139 20 0 CAADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)C[NH3+])CC1 ZINC000262324654 526627221 /nfs/dbraw/zinc/62/72/21/526627221.db2.gz FTJUOVKMTPMXHF-JTQLQIEISA-N 2 2 256.350 -1.139 20 0 CAADLP CC(C)([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431063426 527238879 /nfs/dbraw/zinc/23/88/79/527238879.db2.gz DKEUAJQCOUSHGT-UHFFFAOYSA-N 2 2 272.349 -1.712 20 0 CAADLP CC(C)([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262662553 527239014 /nfs/dbraw/zinc/23/90/14/527239014.db2.gz ZASJGIICOXVWGR-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP CC(C)([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000262662552 527239924 /nfs/dbraw/zinc/23/99/24/527239924.db2.gz ZASJGIICOXVWGR-LLVKDONJSA-N 2 2 298.387 -1.227 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262398251 527543227 /nfs/dbraw/zinc/54/32/27/527543227.db2.gz PCWNNZCKPXEPAI-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444264160 527543352 /nfs/dbraw/zinc/54/33/52/527543352.db2.gz CLNYBYSZGQVZJN-SECBINFHSA-N 2 2 254.334 -1.244 20 0 CAADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000043707933 527670882 /nfs/dbraw/zinc/67/08/82/527670882.db2.gz QCQMXLYMCGKLPC-NSHDSACASA-N 2 2 257.334 -1.187 20 0 CAADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000043707934 527672439 /nfs/dbraw/zinc/67/24/39/527672439.db2.gz QCQMXLYMCGKLPC-LLVKDONJSA-N 2 2 257.334 -1.187 20 0 CAADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000449751378 527791559 /nfs/dbraw/zinc/79/15/59/527791559.db2.gz XYYKUYLDMOHUEV-VIFPVBQESA-N 2 2 254.334 -1.325 20 0 CAADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000333273831 527897724 /nfs/dbraw/zinc/89/77/24/527897724.db2.gz HPXWFLIDOBETEE-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000333273831 527897728 /nfs/dbraw/zinc/89/77/28/527897728.db2.gz HPXWFLIDOBETEE-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424170410 528087243 /nfs/dbraw/zinc/08/72/43/528087243.db2.gz AUZAAZPINJFVTO-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424170410 528087249 /nfs/dbraw/zinc/08/72/49/528087249.db2.gz AUZAAZPINJFVTO-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CCC[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000431066402 528163371 /nfs/dbraw/zinc/16/33/71/528163371.db2.gz SUAFCGZJQDBZKM-NSHDSACASA-N 2 2 286.376 -1.322 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423059280 528728328 /nfs/dbraw/zinc/72/83/28/528728328.db2.gz LMJRVRJCDFLLML-UHFFFAOYSA-N 2 2 286.376 -1.416 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419882776 528732372 /nfs/dbraw/zinc/73/23/72/528732372.db2.gz MLTRQYYTFKFHKH-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420015637 528733093 /nfs/dbraw/zinc/73/30/93/528733093.db2.gz LRCBNYDUGPMKCF-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125195690 528736063 /nfs/dbraw/zinc/73/60/63/528736063.db2.gz GCMZHTRYNJSQFB-UHFFFAOYSA-N 2 2 272.349 -1.758 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353670003 528744367 /nfs/dbraw/zinc/74/43/67/528744367.db2.gz YGVHOLHSDSAIFA-JTQLQIEISA-N 2 2 272.349 -1.630 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000422973710 529110407 /nfs/dbraw/zinc/11/04/07/529110407.db2.gz CKHIRLNWPRXLKA-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423605153 529116024 /nfs/dbraw/zinc/11/60/24/529116024.db2.gz JGOIRPIWCZCSDH-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423605155 529116175 /nfs/dbraw/zinc/11/61/75/529116175.db2.gz JGOIRPIWCZCSDH-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000422982088 529117184 /nfs/dbraw/zinc/11/71/84/529117184.db2.gz VMQOJIAVQOFMJD-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000422974322 529119029 /nfs/dbraw/zinc/11/90/29/529119029.db2.gz DOKMABLMCFFLGH-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000422976501 529119427 /nfs/dbraw/zinc/11/94/27/529119427.db2.gz IMDHXCPOQSCAQM-GHMZBOCLSA-N 2 2 268.361 -1.044 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419875692 529120670 /nfs/dbraw/zinc/12/06/70/529120670.db2.gz WWVWLUPOWGWHCQ-SNVBAGLBSA-N 2 2 254.334 -1.371 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419961885 529121074 /nfs/dbraw/zinc/12/10/74/529121074.db2.gz UNGDNONGZCQRET-JTQLQIEISA-N 2 2 256.350 -1.139 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347638562 529131564 /nfs/dbraw/zinc/13/15/64/529131564.db2.gz CDLWBVSKGBLXLI-UHFFFAOYSA-N 2 2 272.349 -1.712 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)CNC(=O)C[NH3+] ZINC000347638562 529131565 /nfs/dbraw/zinc/13/15/65/529131565.db2.gz CDLWBVSKGBLXLI-UHFFFAOYSA-N 2 2 272.349 -1.712 20 0 CAADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1 ZINC000353670004 535600990 /nfs/dbraw/zinc/60/09/90/535600990.db2.gz YGVHOLHSDSAIFA-SNVBAGLBSA-N 2 2 272.349 -1.630 20 0 CAADLP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394371993 545498130 /nfs/dbraw/zinc/49/81/30/545498130.db2.gz GPZSQDJORNWALF-NEPJUHHUSA-N 2 2 270.377 -1.144 20 0 CAADLP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394371993 545498131 /nfs/dbraw/zinc/49/81/31/545498131.db2.gz GPZSQDJORNWALF-NEPJUHHUSA-N 2 2 270.377 -1.144 20 0 CAADLP O=C(CNC(=O)[C@H]1CCc2[nH+]ccn2C1)N1CC[NH2+]CC1 ZINC000655413324 545503817 /nfs/dbraw/zinc/50/38/17/545503817.db2.gz UJXMKZFJZMTVCP-NSHDSACASA-N 2 2 291.355 -1.007 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631446 545504922 /nfs/dbraw/zinc/50/49/22/545504922.db2.gz ROWXBZVZXQRYSQ-LBPRGKRZSA-N 2 2 270.377 -1.272 20 0 CAADLP Cc1nn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)n1C ZINC000655418879 545505225 /nfs/dbraw/zinc/50/52/25/545505225.db2.gz FTUKTGISIJYJOJ-JTQLQIEISA-N 2 2 282.348 -2.008 20 0 CAADLP Cc1nn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(=O)n1C ZINC000655418879 545505228 /nfs/dbraw/zinc/50/52/28/545505228.db2.gz FTUKTGISIJYJOJ-JTQLQIEISA-N 2 2 282.348 -2.008 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631448 545505248 /nfs/dbraw/zinc/50/52/48/545505248.db2.gz ROWXBZVZXQRYSQ-GFCCVEGCSA-N 2 2 270.377 -1.272 20 0 CAADLP O=C1NC[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990847 545533464 /nfs/dbraw/zinc/53/34/64/545533464.db2.gz MRRBXPGYFDEZPN-VHSXEESVSA-N 2 2 252.318 -1.762 20 0 CAADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990847 545533466 /nfs/dbraw/zinc/53/34/66/545533466.db2.gz MRRBXPGYFDEZPN-VHSXEESVSA-N 2 2 252.318 -1.762 20 0 CAADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990846 545533663 /nfs/dbraw/zinc/53/36/63/545533663.db2.gz MRRBXPGYFDEZPN-UWVGGRQHSA-N 2 2 252.318 -1.762 20 0 CAADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647990846 545533668 /nfs/dbraw/zinc/53/36/68/545533668.db2.gz MRRBXPGYFDEZPN-UWVGGRQHSA-N 2 2 252.318 -1.762 20 0 CAADLP CC(C)(C)[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000669521132 545535439 /nfs/dbraw/zinc/53/54/39/545535439.db2.gz CSKFYKCRRPZYDW-VIFPVBQESA-N 2 2 256.350 -1.092 20 0 CAADLP CC1(C)C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000669512374 545535452 /nfs/dbraw/zinc/53/54/52/545535452.db2.gz KRVMBRNEDUOMDY-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000232115492 545535757 /nfs/dbraw/zinc/53/57/57/545535757.db2.gz CWHFTXLNDVSKBT-NSHDSACASA-N 2 2 286.376 -1.417 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000652890104 545539956 /nfs/dbraw/zinc/53/99/56/545539956.db2.gz OSKNMUWOUJFKMA-CQSZACIVSA-N 2 2 296.415 -1.099 20 0 CAADLP CC[NH+]1CCN(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000652890104 545539959 /nfs/dbraw/zinc/53/99/59/545539959.db2.gz OSKNMUWOUJFKMA-CQSZACIVSA-N 2 2 296.415 -1.099 20 0 CAADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792188 545537857 /nfs/dbraw/zinc/53/78/57/545537857.db2.gz LFDXMQCTWJRKMZ-NDBYEHHHSA-N 2 2 274.361 -1.241 20 0 CAADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792188 545537861 /nfs/dbraw/zinc/53/78/61/545537861.db2.gz LFDXMQCTWJRKMZ-NDBYEHHHSA-N 2 2 274.361 -1.241 20 0 CAADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CCCO1 ZINC000313340615 545543975 /nfs/dbraw/zinc/54/39/75/545543975.db2.gz DSJKUNCOQKNNLN-LLVKDONJSA-N 2 2 257.334 -1.105 20 0 CAADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CCCO1 ZINC000313340615 545543978 /nfs/dbraw/zinc/54/39/78/545543978.db2.gz DSJKUNCOQKNNLN-LLVKDONJSA-N 2 2 257.334 -1.105 20 0 CAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659713777 545545407 /nfs/dbraw/zinc/54/54/07/545545407.db2.gz QPRZPVYTZDWKNH-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659713778 545545775 /nfs/dbraw/zinc/54/57/75/545545775.db2.gz QPRZPVYTZDWKNH-LBPRGKRZSA-N 2 2 298.387 -1.355 20 0 CAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000091300621 545548796 /nfs/dbraw/zinc/54/87/96/545548796.db2.gz JAWQNDLDABHWIQ-LBPRGKRZSA-N 2 2 298.387 -1.403 20 0 CAADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000091300620 545548835 /nfs/dbraw/zinc/54/88/35/545548835.db2.gz JAWQNDLDABHWIQ-GFCCVEGCSA-N 2 2 298.387 -1.403 20 0 CAADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000080535806 545549827 /nfs/dbraw/zinc/54/98/27/545549827.db2.gz VVIULAUAIKVJLR-UHFFFAOYSA-N 2 2 251.290 -1.200 20 0 CAADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000163315763 545561968 /nfs/dbraw/zinc/56/19/68/545561968.db2.gz CORPHGPWAGSILS-NXEZZACHSA-N 2 2 270.333 -2.007 20 0 CAADLP C[C@H]([NH3+])[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000163315678 545562000 /nfs/dbraw/zinc/56/20/00/545562000.db2.gz CORPHGPWAGSILS-VHSXEESVSA-N 2 2 270.333 -2.007 20 0 CAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000649410064 545562945 /nfs/dbraw/zinc/56/29/45/545562945.db2.gz LFRZYWJJOWWQPT-UHFFFAOYSA-N 2 2 299.419 -1.501 20 0 CAADLP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000649410064 545562948 /nfs/dbraw/zinc/56/29/48/545562948.db2.gz LFRZYWJJOWWQPT-UHFFFAOYSA-N 2 2 299.419 -1.501 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CCn2cncn2)CC1=O ZINC000649684928 545564265 /nfs/dbraw/zinc/56/42/65/545564265.db2.gz HQRZOMHMZPVCJJ-UHFFFAOYSA-N 2 2 266.349 -1.016 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CCn2cncn2)CC1=O ZINC000649684928 545564270 /nfs/dbraw/zinc/56/42/70/545564270.db2.gz HQRZOMHMZPVCJJ-UHFFFAOYSA-N 2 2 266.349 -1.016 20 0 CAADLP C[NH+](C)CCN1CC[N@H+](CC2(CO)COC2)CC1=O ZINC000649687136 545564772 /nfs/dbraw/zinc/56/47/72/545564772.db2.gz KHZBZSPRXLNGPB-UHFFFAOYSA-N 2 2 271.361 -1.299 20 0 CAADLP C[NH+](C)CCN1CC[N@@H+](CC2(CO)COC2)CC1=O ZINC000649687136 545564775 /nfs/dbraw/zinc/56/47/75/545564775.db2.gz KHZBZSPRXLNGPB-UHFFFAOYSA-N 2 2 271.361 -1.299 20 0 CAADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649761758 545565267 /nfs/dbraw/zinc/56/52/67/545565267.db2.gz KKKIOUQQKDKOHF-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649761758 545565272 /nfs/dbraw/zinc/56/52/72/545565272.db2.gz KKKIOUQQKDKOHF-VXGBXAGGSA-N 2 2 271.361 -1.158 20 0 CAADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649741965 545565470 /nfs/dbraw/zinc/56/54/70/545565470.db2.gz KKKIOUQQKDKOHF-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649741965 545565474 /nfs/dbraw/zinc/56/54/74/545565474.db2.gz KKKIOUQQKDKOHF-NWDGAFQWSA-N 2 2 271.361 -1.158 20 0 CAADLP CN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000564739958 545565773 /nfs/dbraw/zinc/56/57/73/545565773.db2.gz MNJRFZXZVJTXJV-UTLUCORTSA-N 2 2 252.318 -1.539 20 0 CAADLP CN1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000564739958 545565778 /nfs/dbraw/zinc/56/57/78/545565778.db2.gz MNJRFZXZVJTXJV-UTLUCORTSA-N 2 2 252.318 -1.539 20 0 CAADLP CN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000564739954 545565935 /nfs/dbraw/zinc/56/59/35/545565935.db2.gz MNJRFZXZVJTXJV-AEJSXWLSSA-N 2 2 252.318 -1.539 20 0 CAADLP CN1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000564739954 545565938 /nfs/dbraw/zinc/56/59/38/545565938.db2.gz MNJRFZXZVJTXJV-AEJSXWLSSA-N 2 2 252.318 -1.539 20 0 CAADLP CNC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687878 545566098 /nfs/dbraw/zinc/56/60/98/545566098.db2.gz JCJCBHNSJINCBR-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP CNC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687878 545566101 /nfs/dbraw/zinc/56/61/01/545566101.db2.gz JCJCBHNSJINCBR-UHFFFAOYSA-N 2 2 256.350 -1.172 20 0 CAADLP [NH3+]C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000564796209 545566224 /nfs/dbraw/zinc/56/62/24/545566224.db2.gz BAXZEWMKILRSKU-JTQLQIEISA-N 2 2 254.334 -1.385 20 0 CAADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474003 545566673 /nfs/dbraw/zinc/56/66/73/545566673.db2.gz VCMOMMUTOYWXLH-JQWIXIFHSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474003 545566678 /nfs/dbraw/zinc/56/66/78/545566678.db2.gz VCMOMMUTOYWXLH-JQWIXIFHSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474003 545566680 /nfs/dbraw/zinc/56/66/80/545566680.db2.gz VCMOMMUTOYWXLH-JQWIXIFHSA-N 2 2 259.350 -1.390 20 0 CAADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000386474003 545566682 /nfs/dbraw/zinc/56/66/82/545566682.db2.gz VCMOMMUTOYWXLH-JQWIXIFHSA-N 2 2 259.350 -1.390 20 0 CAADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC000163315469 545561324 /nfs/dbraw/zinc/56/13/24/545561324.db2.gz CORPHGPWAGSILS-UWVGGRQHSA-N 2 2 270.333 -2.007 20 0 CAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662681577 545576436 /nfs/dbraw/zinc/57/64/36/545576436.db2.gz IOJSWLPXEGXNAH-UHFFFAOYSA-N 2 2 298.387 -1.573 20 0 CAADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662715473 545577677 /nfs/dbraw/zinc/57/76/77/545577677.db2.gz SDGSBKUBRYCXCC-UHFFFAOYSA-N 2 2 257.334 -1.452 20 0 CAADLP CC1(C)COCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662715473 545577683 /nfs/dbraw/zinc/57/76/83/545577683.db2.gz SDGSBKUBRYCXCC-UHFFFAOYSA-N 2 2 257.334 -1.452 20 0 CAADLP [NH3+]C1(CC(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000662695798 545577828 /nfs/dbraw/zinc/57/78/28/545577828.db2.gz CXFWGLWQKNSTCR-UHFFFAOYSA-N 2 2 284.360 -1.568 20 0 CAADLP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000662721378 545578715 /nfs/dbraw/zinc/57/87/15/545578715.db2.gz VLMBPPWTXBFMEA-ZJUUUORDSA-N 2 2 257.334 -1.454 20 0 CAADLP CC(C)[C@H]([NH3+])CCNC(=O)CN1CC[NH2+]CC1=O ZINC000662730515 545579828 /nfs/dbraw/zinc/57/98/28/545579828.db2.gz HTLGXJDTRCXUIN-SNVBAGLBSA-N 2 2 256.350 -1.092 20 0 CAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1(O)C[NH2+]C1 ZINC000662728310 545580166 /nfs/dbraw/zinc/58/01/66/545580166.db2.gz NBILSSKVJGZLKU-UHFFFAOYSA-N 2 2 295.343 -1.512 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906193 545581120 /nfs/dbraw/zinc/58/11/20/545581120.db2.gz JAJJWCDTSWTTFO-LBPRGKRZSA-N 2 2 295.387 -2.076 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906193 545581123 /nfs/dbraw/zinc/58/11/23/545581123.db2.gz JAJJWCDTSWTTFO-LBPRGKRZSA-N 2 2 295.387 -2.076 20 0 CAADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC(N)=O ZINC001275505324 782173902 /nfs/dbraw/zinc/17/39/02/782173902.db2.gz WPEWVTGGFPNPKY-HTQZYQBOSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(N)=O ZINC001275505327 782174252 /nfs/dbraw/zinc/17/42/52/782174252.db2.gz WPEWVTGGFPNPKY-YUMQZZPRSA-N 2 2 253.306 -1.080 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275505326 782174757 /nfs/dbraw/zinc/17/47/57/782174757.db2.gz WPEWVTGGFPNPKY-SFYZADRCSA-N 2 2 253.306 -1.080 20 0 CAADLP Cn1ncc(C[NH3+])c1C(=O)N1CC[NH+](CCO)CC1 ZINC000719263112 782177465 /nfs/dbraw/zinc/17/74/65/782177465.db2.gz RKEYDFNBMNDWQK-UHFFFAOYSA-N 2 2 267.333 -1.371 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000719445228 782180789 /nfs/dbraw/zinc/18/07/89/782180789.db2.gz VVBBXNAUMWYDBU-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000719445228 782180794 /nfs/dbraw/zinc/18/07/94/782180794.db2.gz VVBBXNAUMWYDBU-ZJUUUORDSA-N 2 2 254.334 -1.373 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000648162402 582110382 /nfs/dbraw/zinc/11/03/82/582110382.db2.gz CRPOWBTWPCVXGU-LLVKDONJSA-N 2 2 266.345 -1.229 20 0 CAADLP NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725886567 582112544 /nfs/dbraw/zinc/11/25/44/582112544.db2.gz QCYJQJZWVLBNQH-UHFFFAOYSA-N 2 2 298.387 -1.272 20 0 CAADLP NC(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725886567 582112545 /nfs/dbraw/zinc/11/25/45/582112545.db2.gz QCYJQJZWVLBNQH-UHFFFAOYSA-N 2 2 298.387 -1.272 20 0 CAADLP C[NH+]1CCC(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000894859415 582114440 /nfs/dbraw/zinc/11/44/40/582114440.db2.gz UNVOHNKOZAROGY-UHFFFAOYSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CCC(C[N@H+]2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000894859415 582114441 /nfs/dbraw/zinc/11/44/41/582114441.db2.gz UNVOHNKOZAROGY-UHFFFAOYSA-N 2 2 268.361 -1.042 20 0 CAADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897145741 582116630 /nfs/dbraw/zinc/11/66/30/582116630.db2.gz JXPNTLNIUXAGHV-KGLIPLIRSA-N 2 2 294.399 -1.177 20 0 CAADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000898084781 582119170 /nfs/dbraw/zinc/11/91/70/582119170.db2.gz NKYDCCWTSSMDGU-TZMCWYRMSA-N 2 2 295.383 -1.016 20 0 CAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C[C@H]1C(F)F ZINC000866764078 582119595 /nfs/dbraw/zinc/11/95/95/582119595.db2.gz KVHXKTPWTNTQNI-IUCAKERBSA-N 2 2 299.343 -1.157 20 0 CAADLP COC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000899248442 582120636 /nfs/dbraw/zinc/12/06/36/582120636.db2.gz QHLFZLOWPYXASP-LBPRGKRZSA-N 2 2 286.376 -1.052 20 0 CAADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899736609 582122291 /nfs/dbraw/zinc/12/22/91/582122291.db2.gz MQSGLQOQJFNCQU-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899736609 582122292 /nfs/dbraw/zinc/12/22/92/582122292.db2.gz MQSGLQOQJFNCQU-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)CCO ZINC000899736609 582122293 /nfs/dbraw/zinc/12/22/93/582122293.db2.gz MQSGLQOQJFNCQU-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC000899736609 582122294 /nfs/dbraw/zinc/12/22/94/582122294.db2.gz MQSGLQOQJFNCQU-NSHDSACASA-N 2 2 259.350 -1.253 20 0 CAADLP CCOC(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000496231800 582123663 /nfs/dbraw/zinc/12/36/63/582123663.db2.gz ZPXOSPBBQOLPLV-VIFPVBQESA-N 2 2 258.322 -1.166 20 0 CAADLP CCOC(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000496231800 582123665 /nfs/dbraw/zinc/12/36/65/582123665.db2.gz ZPXOSPBBQOLPLV-VIFPVBQESA-N 2 2 258.322 -1.166 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649342728 582126232 /nfs/dbraw/zinc/12/62/32/582126232.db2.gz LNPZGGMTIXHJMM-UHFFFAOYSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000746219397 582141424 /nfs/dbraw/zinc/14/14/24/582141424.db2.gz QOFOYWHTRCWUNB-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000746219397 582141425 /nfs/dbraw/zinc/14/14/25/582141425.db2.gz QOFOYWHTRCWUNB-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000746219397 582141426 /nfs/dbraw/zinc/14/14/26/582141426.db2.gz QOFOYWHTRCWUNB-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000746219397 582141427 /nfs/dbraw/zinc/14/14/27/582141427.db2.gz QOFOYWHTRCWUNB-LLVKDONJSA-N 2 2 284.360 -1.663 20 0 CAADLP O=C1C[NH+](CCOCC[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000749842242 582142784 /nfs/dbraw/zinc/14/27/84/582142784.db2.gz MECQRNGFUMQHLZ-UHFFFAOYSA-N 2 2 298.387 -1.353 20 0 CAADLP O=C1C[NH+](CCOCC[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000749842242 582142785 /nfs/dbraw/zinc/14/27/85/582142785.db2.gz MECQRNGFUMQHLZ-UHFFFAOYSA-N 2 2 298.387 -1.353 20 0 CAADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000779567075 582157548 /nfs/dbraw/zinc/15/75/48/582157548.db2.gz UJNQSOBFYRPHAK-MNOVXSKESA-N 2 2 296.327 -1.129 20 0 CAADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000779567075 582157549 /nfs/dbraw/zinc/15/75/49/582157549.db2.gz UJNQSOBFYRPHAK-MNOVXSKESA-N 2 2 296.327 -1.129 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000781561886 582158361 /nfs/dbraw/zinc/15/83/61/582158361.db2.gz NIZNAKZJDKHCJY-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000781561886 582158363 /nfs/dbraw/zinc/15/83/63/582158363.db2.gz NIZNAKZJDKHCJY-UHFFFAOYSA-N 2 2 268.361 -1.076 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCNC(=O)C2)CC1 ZINC000801514949 582168057 /nfs/dbraw/zinc/16/80/57/582168057.db2.gz PQHJTOMUWYWKGG-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCNC(=O)C2)CC1 ZINC000801514949 582168058 /nfs/dbraw/zinc/16/80/58/582168058.db2.gz PQHJTOMUWYWKGG-UHFFFAOYSA-N 2 2 268.361 -1.028 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252786 582177373 /nfs/dbraw/zinc/17/73/73/582177373.db2.gz KRNPPPQQBJGNRH-ZJUUUORDSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252786 582177374 /nfs/dbraw/zinc/17/73/74/582177374.db2.gz KRNPPPQQBJGNRH-ZJUUUORDSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252785 582177434 /nfs/dbraw/zinc/17/74/34/582177434.db2.gz KRNPPPQQBJGNRH-VHSXEESVSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252785 582177436 /nfs/dbraw/zinc/17/74/36/582177436.db2.gz KRNPPPQQBJGNRH-VHSXEESVSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252783 582177468 /nfs/dbraw/zinc/17/74/68/582177468.db2.gz KRNPPPQQBJGNRH-NXEZZACHSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252783 582177470 /nfs/dbraw/zinc/17/74/70/582177470.db2.gz KRNPPPQQBJGNRH-NXEZZACHSA-N 2 2 270.333 -1.339 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010179 582178752 /nfs/dbraw/zinc/17/87/52/582178752.db2.gz DXRDTXMAARGBCH-VXGBXAGGSA-N 2 2 271.361 -1.253 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000820010179 582178754 /nfs/dbraw/zinc/17/87/54/582178754.db2.gz DXRDTXMAARGBCH-VXGBXAGGSA-N 2 2 271.361 -1.253 20 0 CAADLP C[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+](C)C ZINC000821247334 582181604 /nfs/dbraw/zinc/18/16/04/582181604.db2.gz PFVKJJBIPGWFLE-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP C[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+](C)C ZINC000821247334 582181605 /nfs/dbraw/zinc/18/16/05/582181605.db2.gz PFVKJJBIPGWFLE-SNVBAGLBSA-N 2 2 256.350 -1.125 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000827935836 582193626 /nfs/dbraw/zinc/19/36/26/582193626.db2.gz BHGDHCKHTYBBQH-NEPJUHHUSA-N 2 2 296.371 -1.602 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827935836 582193627 /nfs/dbraw/zinc/19/36/27/582193627.db2.gz BHGDHCKHTYBBQH-NEPJUHHUSA-N 2 2 296.371 -1.602 20 0 CAADLP [NH3+][C@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000831876129 582203714 /nfs/dbraw/zinc/20/37/14/582203714.db2.gz LMFXZGRVNRXNAW-GFCCVEGCSA-N 2 2 298.387 -1.322 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511042 582212955 /nfs/dbraw/zinc/21/29/55/582212955.db2.gz AEGKQKILLZBJFT-CYBMUJFWSA-N 2 2 266.345 -1.227 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511046 582212970 /nfs/dbraw/zinc/21/29/70/582212970.db2.gz AEGKQKILLZBJFT-ZDUSSCGKSA-N 2 2 266.345 -1.227 20 0 CAADLP C[N@@H+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000843356718 582213926 /nfs/dbraw/zinc/21/39/26/582213926.db2.gz WTPAAPKKYIFGOT-VXGBXAGGSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@H+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000843356718 582213927 /nfs/dbraw/zinc/21/39/27/582213927.db2.gz WTPAAPKKYIFGOT-VXGBXAGGSA-N 3 2 270.377 -1.144 20 0 CAADLP C[N@@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C[NH3+])C1 ZINC000843357905 582213932 /nfs/dbraw/zinc/21/39/32/582213932.db2.gz TVFYTMNCHNDSDK-JTQLQIEISA-N 2 2 295.343 -1.972 20 0 CAADLP C[N@H+]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C[NH3+])C1 ZINC000843357905 582213933 /nfs/dbraw/zinc/21/39/33/582213933.db2.gz TVFYTMNCHNDSDK-JTQLQIEISA-N 2 2 295.343 -1.972 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846515679 582222348 /nfs/dbraw/zinc/22/23/48/582222348.db2.gz OXADHOKXBPJTLG-CYBMUJFWSA-N 2 2 283.372 -1.014 20 0 CAADLP O=C(CC[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846515679 582222354 /nfs/dbraw/zinc/22/23/54/582222354.db2.gz OXADHOKXBPJTLG-CYBMUJFWSA-N 2 2 283.372 -1.014 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCC(N)=O ZINC000849279937 582227622 /nfs/dbraw/zinc/22/76/22/582227622.db2.gz MFMFWTGWQJIAMF-UHFFFAOYSA-N 2 2 275.422 -1.181 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCC(N)=O ZINC000849279937 582227623 /nfs/dbraw/zinc/22/76/23/582227623.db2.gz MFMFWTGWQJIAMF-UHFFFAOYSA-N 2 2 275.422 -1.181 20 0 CAADLP COC(=O)N(C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000851676297 582228969 /nfs/dbraw/zinc/22/89/69/582228969.db2.gz YLBRXBLSJRSRHA-SNVBAGLBSA-N 2 2 287.364 -1.031 20 0 CAADLP COC(=O)N(C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000851676297 582228970 /nfs/dbraw/zinc/22/89/70/582228970.db2.gz YLBRXBLSJRSRHA-SNVBAGLBSA-N 2 2 287.364 -1.031 20 0 CAADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851689953 582229448 /nfs/dbraw/zinc/22/94/48/582229448.db2.gz XBTLQLZHUATISA-WDEREUQCSA-N 2 2 284.360 -1.617 20 0 CAADLP [NH3+]C[C@H]1CC(C(=O)NCC[NH+]2CCOCC2)=NO1 ZINC000852855539 582231179 /nfs/dbraw/zinc/23/11/79/582231179.db2.gz FMTWEXNAONXXCC-SECBINFHSA-N 2 2 256.306 -1.462 20 0 CAADLP COCC[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852857008 582231415 /nfs/dbraw/zinc/23/14/15/582231415.db2.gz IRMUNKKPBVTXRW-JTQLQIEISA-N 2 2 270.333 -1.119 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852863728 582231450 /nfs/dbraw/zinc/23/14/50/582231450.db2.gz RLBZNEQHJFPSSL-VHSXEESVSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852863728 582231452 /nfs/dbraw/zinc/23/14/52/582231452.db2.gz RLBZNEQHJFPSSL-VHSXEESVSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852858506 582231514 /nfs/dbraw/zinc/23/15/14/582231514.db2.gz BOFKGVQAZJZMLO-UWVGGRQHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1C[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852863726 582231520 /nfs/dbraw/zinc/23/15/20/582231520.db2.gz RLBZNEQHJFPSSL-NXEZZACHSA-N 2 2 270.333 -1.073 20 0 CAADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852863726 582231522 /nfs/dbraw/zinc/23/15/22/582231522.db2.gz RLBZNEQHJFPSSL-NXEZZACHSA-N 2 2 270.333 -1.073 20 0 CAADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852869806 582231557 /nfs/dbraw/zinc/23/15/57/582231557.db2.gz MDHMNQHJZFIALV-SECBINFHSA-N 2 2 297.359 -1.502 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858508 582231613 /nfs/dbraw/zinc/23/16/13/582231613.db2.gz BOFKGVQAZJZMLO-VHSXEESVSA-N 2 2 270.333 -1.073 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882891 582231986 /nfs/dbraw/zinc/23/19/86/582231986.db2.gz CDVWOBCDGJIXDY-JTQLQIEISA-N 2 2 270.333 -1.119 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860157730 582242390 /nfs/dbraw/zinc/24/23/90/582242390.db2.gz AONCUUHIXJFANN-GHMZBOCLSA-N 2 2 267.329 -1.135 20 0 CAADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860157730 582242391 /nfs/dbraw/zinc/24/23/91/582242391.db2.gz AONCUUHIXJFANN-GHMZBOCLSA-N 2 2 267.329 -1.135 20 0 CAADLP CON(C)C(=O)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000861698308 582244547 /nfs/dbraw/zinc/24/45/47/582244547.db2.gz CLGAGHRMPMGVOQ-UWVGGRQHSA-N 2 2 287.364 -1.321 20 0 CAADLP CON(C)C(=O)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000861698308 582244548 /nfs/dbraw/zinc/24/45/48/582244548.db2.gz CLGAGHRMPMGVOQ-UWVGGRQHSA-N 2 2 287.364 -1.321 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000863774441 582250186 /nfs/dbraw/zinc/25/01/86/582250186.db2.gz XSOVQOITZLVWPW-MNOVXSKESA-N 2 2 286.376 -1.683 20 0 CAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000863769355 582250193 /nfs/dbraw/zinc/25/01/93/582250193.db2.gz FPIWQHQWOGAHRE-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000863769354 582250230 /nfs/dbraw/zinc/25/02/30/582250230.db2.gz FPIWQHQWOGAHRE-NEPJUHHUSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000864079004 582251603 /nfs/dbraw/zinc/25/16/03/582251603.db2.gz SKKWUAYDOHBWEE-MDZLAQPJSA-N 2 2 271.361 -1.424 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000864079004 582251605 /nfs/dbraw/zinc/25/16/05/582251605.db2.gz SKKWUAYDOHBWEE-MDZLAQPJSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864079004 582251606 /nfs/dbraw/zinc/25/16/06/582251606.db2.gz SKKWUAYDOHBWEE-MDZLAQPJSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864079004 582251608 /nfs/dbraw/zinc/25/16/08/582251608.db2.gz SKKWUAYDOHBWEE-MDZLAQPJSA-N 2 2 271.361 -1.424 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@H]1CO ZINC000864078706 582251616 /nfs/dbraw/zinc/25/16/16/582251616.db2.gz OXEXVPWCQHKRSF-STQMWFEESA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@H]1CO ZINC000864078706 582251617 /nfs/dbraw/zinc/25/16/17/582251617.db2.gz OXEXVPWCQHKRSF-STQMWFEESA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000864079105 582251639 /nfs/dbraw/zinc/25/16/39/582251639.db2.gz SKKWUAYDOHBWEE-WZRBSPASSA-N 2 2 271.361 -1.424 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000864079105 582251640 /nfs/dbraw/zinc/25/16/40/582251640.db2.gz SKKWUAYDOHBWEE-WZRBSPASSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864079105 582251641 /nfs/dbraw/zinc/25/16/41/582251641.db2.gz SKKWUAYDOHBWEE-WZRBSPASSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864079105 582251642 /nfs/dbraw/zinc/25/16/42/582251642.db2.gz SKKWUAYDOHBWEE-WZRBSPASSA-N 2 2 271.361 -1.424 20 0 CAADLP C[NH+](C)C[C@@H](CO)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868345371 582256206 /nfs/dbraw/zinc/25/62/06/582256206.db2.gz HCFRFXGEMOMUAF-MVZIDQBPSA-N 2 2 271.361 -1.087 20 0 CAADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868809694 582256628 /nfs/dbraw/zinc/25/66/28/582256628.db2.gz LGYBTVYYHADJJK-ONGXEEELSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868809694 582256629 /nfs/dbraw/zinc/25/66/29/582256629.db2.gz LGYBTVYYHADJJK-ONGXEEELSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868809691 582256695 /nfs/dbraw/zinc/25/66/95/582256695.db2.gz LGYBTVYYHADJJK-GXSJLCMTSA-N 2 2 268.317 -1.032 20 0 CAADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868809691 582256696 /nfs/dbraw/zinc/25/66/96/582256696.db2.gz LGYBTVYYHADJJK-GXSJLCMTSA-N 2 2 268.317 -1.032 20 0 CAADLP C[NH+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C)CCO1 ZINC000871462412 582258301 /nfs/dbraw/zinc/25/83/01/582258301.db2.gz RMXLICDLPVCJEV-LLVKDONJSA-N 2 2 286.376 -1.547 20 0 CAADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000019687560 582259609 /nfs/dbraw/zinc/25/96/09/582259609.db2.gz ZFNJGSNOGVSMOW-UHFFFAOYSA-N 2 2 256.350 -1.042 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)NCCN1CC[NH2+]CC1 ZINC000876510544 582262450 /nfs/dbraw/zinc/26/24/50/582262450.db2.gz NQHALRMXMBRWJW-UPHRSURJSA-N 2 2 282.388 -1.104 20 0 CAADLP CN1CCN(C(=O)/C=C\C[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000876542025 582262624 /nfs/dbraw/zinc/26/26/24/582262624.db2.gz JOHBSTLUSCEUBA-ZRMMWKCHSA-N 2 2 282.388 -1.024 20 0 CAADLP CN1CCN(C(=O)/C=C\C[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000876542023 582262639 /nfs/dbraw/zinc/26/26/39/582262639.db2.gz JOHBSTLUSCEUBA-XQJDBVBESA-N 2 2 282.388 -1.024 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876715502 582263139 /nfs/dbraw/zinc/26/31/39/582263139.db2.gz NOKJDPJUGRDMOH-NSHDSACASA-N 2 2 258.366 -1.334 20 0 CAADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1=O ZINC000876865270 582263432 /nfs/dbraw/zinc/26/34/32/582263432.db2.gz WUDJSWRNRVLOHQ-RKDXNWHRSA-N 2 2 290.314 -1.080 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876961467 582263864 /nfs/dbraw/zinc/26/38/64/582263864.db2.gz UYVRCVIZWZXDPZ-LBPRGKRZSA-N 3 2 273.425 -1.125 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876961467 582263865 /nfs/dbraw/zinc/26/38/65/582263865.db2.gz UYVRCVIZWZXDPZ-LBPRGKRZSA-N 3 2 273.425 -1.125 20 0 CAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876987334 582263900 /nfs/dbraw/zinc/26/39/00/582263900.db2.gz XXZPBYFRUJHYKQ-RYUDHWBXSA-N 2 2 288.392 -1.973 20 0 CAADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876966304 582263952 /nfs/dbraw/zinc/26/39/52/582263952.db2.gz PAYJMMZGZIRNDE-NEPJUHHUSA-N 2 2 270.377 -1.192 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000877038757 582264042 /nfs/dbraw/zinc/26/40/42/582264042.db2.gz XQSSKFDPMABBCS-BIOMNHJASA-N 2 2 269.345 -1.021 20 0 CAADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877035203 582264071 /nfs/dbraw/zinc/26/40/71/582264071.db2.gz VJKVNXVWBJPRJH-BDAKNGLRSA-N 2 2 256.306 -1.463 20 0 CAADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877035203 582264072 /nfs/dbraw/zinc/26/40/72/582264072.db2.gz VJKVNXVWBJPRJH-BDAKNGLRSA-N 2 2 256.306 -1.463 20 0 CAADLP C[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000877243821 582264730 /nfs/dbraw/zinc/26/47/30/582264730.db2.gz PAVAKFAXFSGNSA-GUBZILKMSA-N 2 2 254.334 -1.340 20 0 CAADLP C[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CC[NH2+]CC1=O ZINC000877371938 582265121 /nfs/dbraw/zinc/26/51/21/582265121.db2.gz RQPHHPSGWFJOSO-UHIISALHSA-N 2 2 280.372 -1.125 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877398835 582265208 /nfs/dbraw/zinc/26/52/08/582265208.db2.gz HUZPHMHPKDEVLB-GXFFZTMASA-N 2 2 266.345 -1.181 20 0 CAADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000877434036 582265243 /nfs/dbraw/zinc/26/52/43/582265243.db2.gz MGXPNCOZXBFILV-JTQLQIEISA-N 2 2 257.334 -1.452 20 0 CAADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(O)C[NH2+]C1 ZINC000877434036 582265245 /nfs/dbraw/zinc/26/52/45/582265245.db2.gz MGXPNCOZXBFILV-JTQLQIEISA-N 2 2 257.334 -1.452 20 0 CAADLP Cn1nnnc1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878803329 582266555 /nfs/dbraw/zinc/26/65/55/582266555.db2.gz ZWVPRHBPDUAHBH-UHFFFAOYSA-N 2 2 281.364 -1.542 20 0 CAADLP Cn1nnnc1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878803329 582266556 /nfs/dbraw/zinc/26/65/56/582266556.db2.gz ZWVPRHBPDUAHBH-UHFFFAOYSA-N 2 2 281.364 -1.542 20 0 CAADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCC(=O)NC1=O ZINC000879355351 582267310 /nfs/dbraw/zinc/26/73/10/582267310.db2.gz COULIGRQOFWTJO-JTQLQIEISA-N 2 2 282.344 -1.503 20 0 CAADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCC(=O)NC1=O ZINC000879355351 582267311 /nfs/dbraw/zinc/26/73/11/582267311.db2.gz COULIGRQOFWTJO-JTQLQIEISA-N 2 2 282.344 -1.503 20 0 CAADLP CN1C(=O)[C@H]2C[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@H]2C1=O ZINC000879535685 582267697 /nfs/dbraw/zinc/26/76/97/582267697.db2.gz QTTBKYSSYCFANH-SDDRHHMPSA-N 2 2 281.356 -1.012 20 0 CAADLP CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@H]2C1=O ZINC000879535685 582267698 /nfs/dbraw/zinc/26/76/98/582267698.db2.gz QTTBKYSSYCFANH-SDDRHHMPSA-N 2 2 281.356 -1.012 20 0 CAADLP CN1C(=O)[C@H]2C[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C[C@H]2C1=O ZINC000879535685 582267699 /nfs/dbraw/zinc/26/76/99/582267699.db2.gz QTTBKYSSYCFANH-SDDRHHMPSA-N 2 2 281.356 -1.012 20 0 CAADLP CN1C(=O)[C@H]2C[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C[C@H]2C1=O ZINC000879535685 582267700 /nfs/dbraw/zinc/26/77/00/582267700.db2.gz QTTBKYSSYCFANH-SDDRHHMPSA-N 2 2 281.356 -1.012 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535899 582267996 /nfs/dbraw/zinc/26/79/96/582267996.db2.gz VEWBKYGIUIWGKO-SDDRHHMPSA-N 2 2 299.371 -1.528 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535899 582267997 /nfs/dbraw/zinc/26/79/97/582267997.db2.gz VEWBKYGIUIWGKO-SDDRHHMPSA-N 2 2 299.371 -1.528 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535899 582267998 /nfs/dbraw/zinc/26/79/98/582267998.db2.gz VEWBKYGIUIWGKO-SDDRHHMPSA-N 2 2 299.371 -1.528 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535899 582267999 /nfs/dbraw/zinc/26/79/99/582267999.db2.gz VEWBKYGIUIWGKO-SDDRHHMPSA-N 2 2 299.371 -1.528 20 0 CAADLP OC[C@H]1C=CC[N@@H+]1C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880489312 582269538 /nfs/dbraw/zinc/26/95/38/582269538.db2.gz SHQIRXUGBLVOIK-ITGUQSILSA-N 2 2 254.330 -1.187 20 0 CAADLP OC[C@H]1C=CC[N@H+]1C[C@H](O)C[NH+]1CC=C[C@H]1CO ZINC000880489312 582269539 /nfs/dbraw/zinc/26/95/39/582269539.db2.gz SHQIRXUGBLVOIK-ITGUQSILSA-N 2 2 254.330 -1.187 20 0 CAADLP OC[C@H]1C=CC[NH+]1C[C@H](O)C[N@@H+]1CC=C[C@H]1CO ZINC000880489312 582269540 /nfs/dbraw/zinc/26/95/40/582269540.db2.gz SHQIRXUGBLVOIK-ITGUQSILSA-N 2 2 254.330 -1.187 20 0 CAADLP OC[C@H]1C=CC[NH+]1C[C@H](O)C[N@H+]1CC=C[C@H]1CO ZINC000880489312 582269541 /nfs/dbraw/zinc/26/95/41/582269541.db2.gz SHQIRXUGBLVOIK-ITGUQSILSA-N 2 2 254.330 -1.187 20 0 CAADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564901 582269877 /nfs/dbraw/zinc/26/98/77/582269877.db2.gz HCXDRLGHSLWWMZ-AAEUAGOBSA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564901 582269878 /nfs/dbraw/zinc/26/98/78/582269878.db2.gz HCXDRLGHSLWWMZ-AAEUAGOBSA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564901 582269879 /nfs/dbraw/zinc/26/98/79/582269879.db2.gz HCXDRLGHSLWWMZ-AAEUAGOBSA-N 2 2 290.360 -1.465 20 0 CAADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564901 582269880 /nfs/dbraw/zinc/26/98/80/582269880.db2.gz HCXDRLGHSLWWMZ-AAEUAGOBSA-N 2 2 290.360 -1.465 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566050 582269928 /nfs/dbraw/zinc/26/99/28/582269928.db2.gz SKYBTUAGZYWGNQ-ZYHUDNBSSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566050 582269929 /nfs/dbraw/zinc/26/99/29/582269929.db2.gz SKYBTUAGZYWGNQ-ZYHUDNBSSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566050 582269930 /nfs/dbraw/zinc/26/99/30/582269930.db2.gz SKYBTUAGZYWGNQ-ZYHUDNBSSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566050 582269931 /nfs/dbraw/zinc/26/99/31/582269931.db2.gz SKYBTUAGZYWGNQ-ZYHUDNBSSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566046 582269935 /nfs/dbraw/zinc/26/99/35/582269935.db2.gz SKYBTUAGZYWGNQ-JQWIXIFHSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566046 582269936 /nfs/dbraw/zinc/26/99/36/582269936.db2.gz SKYBTUAGZYWGNQ-JQWIXIFHSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566046 582269937 /nfs/dbraw/zinc/26/99/37/582269937.db2.gz SKYBTUAGZYWGNQ-JQWIXIFHSA-N 2 2 260.334 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566046 582269938 /nfs/dbraw/zinc/26/99/38/582269938.db2.gz SKYBTUAGZYWGNQ-JQWIXIFHSA-N 2 2 260.334 -1.091 20 0 CAADLP Cn1nnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000880670418 582270161 /nfs/dbraw/zinc/27/01/61/582270161.db2.gz MOEOWODKAIONFO-UHFFFAOYSA-N 2 2 269.353 -1.177 20 0 CAADLP Cn1nnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000880670418 582270162 /nfs/dbraw/zinc/27/01/62/582270162.db2.gz MOEOWODKAIONFO-UHFFFAOYSA-N 2 2 269.353 -1.177 20 0 CAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000883425601 582272183 /nfs/dbraw/zinc/27/21/83/582272183.db2.gz YCMCCKHGLITHSV-NSHDSACASA-N 2 2 279.348 -1.431 20 0 CAADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000883425601 582272184 /nfs/dbraw/zinc/27/21/84/582272184.db2.gz YCMCCKHGLITHSV-NSHDSACASA-N 2 2 279.348 -1.431 20 0 CAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000883425600 582272240 /nfs/dbraw/zinc/27/22/40/582272240.db2.gz YCMCCKHGLITHSV-LLVKDONJSA-N 2 2 279.348 -1.431 20 0 CAADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCn2cnnn2)C1 ZINC000883425600 582272241 /nfs/dbraw/zinc/27/22/41/582272241.db2.gz YCMCCKHGLITHSV-LLVKDONJSA-N 2 2 279.348 -1.431 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000884041834 582272918 /nfs/dbraw/zinc/27/29/18/582272918.db2.gz IXFLAEYEACCKEP-AXFHLTTASA-N 2 2 268.361 -1.011 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000884041834 582272919 /nfs/dbraw/zinc/27/29/19/582272919.db2.gz IXFLAEYEACCKEP-AXFHLTTASA-N 2 2 268.361 -1.011 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000884041835 582273100 /nfs/dbraw/zinc/27/31/00/582273100.db2.gz IXFLAEYEACCKEP-HBNTYKKESA-N 2 2 268.361 -1.011 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)[C@H](C[NH3+])C1 ZINC000884041835 582273101 /nfs/dbraw/zinc/27/31/01/582273101.db2.gz IXFLAEYEACCKEP-HBNTYKKESA-N 2 2 268.361 -1.011 20 0 CAADLP [NH3+][C@H](CC1CC1)C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000884200940 582273907 /nfs/dbraw/zinc/27/39/07/582273907.db2.gz NEVLMPZHBBPHKH-GFCCVEGCSA-N 2 2 298.387 -1.322 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884578121 582275466 /nfs/dbraw/zinc/27/54/66/582275466.db2.gz UIZIMWQVNSEMDG-IJLUTSLNSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884577382 582275498 /nfs/dbraw/zinc/27/54/98/582275498.db2.gz DOEAUYLOWLCREM-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884578123 582275514 /nfs/dbraw/zinc/27/55/14/582275514.db2.gz UIZIMWQVNSEMDG-WOPDTQHZSA-N 2 2 298.387 -1.229 20 0 CAADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884572525 582275527 /nfs/dbraw/zinc/27/55/27/582275527.db2.gz PWJHCKAKZNYNKQ-VWYCJHECSA-N 2 2 289.339 -1.113 20 0 CAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884629750 582275628 /nfs/dbraw/zinc/27/56/28/582275628.db2.gz ZRIZNDONINJQRZ-AOOOYVTPSA-N 2 2 277.328 -1.001 20 0 CAADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884629964 582275673 /nfs/dbraw/zinc/27/56/73/582275673.db2.gz ONANARGEXRPTGQ-SECBINFHSA-N 2 2 265.317 -1.014 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884638524 582275734 /nfs/dbraw/zinc/27/57/34/582275734.db2.gz AVMLUVLYIRLHKX-DCAQKATOSA-N 2 2 277.328 -1.040 20 0 CAADLP CN1CCN(C(=O)C(=O)NCC[NH3+])Cc2ccc[nH+]c21 ZINC000884673143 582275847 /nfs/dbraw/zinc/27/58/47/582275847.db2.gz OYBPGAOEBDLEKY-UHFFFAOYSA-N 2 2 277.328 -1.065 20 0 CAADLP C[N@H+](CCO)CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000885801515 582277635 /nfs/dbraw/zinc/27/76/35/582277635.db2.gz MHJPMULLDOBCFG-NSHDSACASA-N 2 2 295.405 -1.840 20 0 CAADLP C[N@@H+](CCO)CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000885801515 582277637 /nfs/dbraw/zinc/27/76/37/582277637.db2.gz MHJPMULLDOBCFG-NSHDSACASA-N 2 2 295.405 -1.840 20 0 CAADLP C[NH+](CCO)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000885801515 582277638 /nfs/dbraw/zinc/27/76/38/582277638.db2.gz MHJPMULLDOBCFG-NSHDSACASA-N 2 2 295.405 -1.840 20 0 CAADLP C[NH+](CCO)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000885801515 582277639 /nfs/dbraw/zinc/27/76/39/582277639.db2.gz MHJPMULLDOBCFG-NSHDSACASA-N 2 2 295.405 -1.840 20 0 CAADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066468 582280587 /nfs/dbraw/zinc/28/05/87/582280587.db2.gz MCRSTVHMNKGBDZ-LLVKDONJSA-N 2 2 268.361 -1.029 20 0 CAADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000887066469 582280614 /nfs/dbraw/zinc/28/06/14/582280614.db2.gz MCRSTVHMNKGBDZ-NSHDSACASA-N 2 2 268.361 -1.029 20 0 CAADLP CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887086238 582280724 /nfs/dbraw/zinc/28/07/24/582280724.db2.gz AOJGKQSEAHCDFW-GFCCVEGCSA-N 2 2 298.387 -1.273 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000977948060 616252487 /nfs/dbraw/zinc/25/24/87/616252487.db2.gz BBHWUZFKFLTCNN-WISYIIOYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000977948060 616252488 /nfs/dbraw/zinc/25/24/88/616252488.db2.gz BBHWUZFKFLTCNN-WISYIIOYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000977948060 616252489 /nfs/dbraw/zinc/25/24/89/616252489.db2.gz BBHWUZFKFLTCNN-WISYIIOYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000977948060 616252490 /nfs/dbraw/zinc/25/24/90/616252490.db2.gz BBHWUZFKFLTCNN-WISYIIOYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000977948061 616259211 /nfs/dbraw/zinc/25/92/11/616259211.db2.gz BBHWUZFKFLTCNN-YFKTTZPYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000977948061 616259212 /nfs/dbraw/zinc/25/92/12/616259212.db2.gz BBHWUZFKFLTCNN-YFKTTZPYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000977948061 616259213 /nfs/dbraw/zinc/25/92/13/616259213.db2.gz BBHWUZFKFLTCNN-YFKTTZPYSA-N 2 2 296.371 -1.904 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000977948061 616259214 /nfs/dbraw/zinc/25/92/14/616259214.db2.gz BBHWUZFKFLTCNN-YFKTTZPYSA-N 2 2 296.371 -1.904 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296328 616643088 /nfs/dbraw/zinc/64/30/88/616643088.db2.gz WGNUDZNSJITWSE-YABSGUDNSA-N 2 2 291.355 -1.245 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296328 616643091 /nfs/dbraw/zinc/64/30/91/616643091.db2.gz WGNUDZNSJITWSE-YABSGUDNSA-N 2 2 291.355 -1.245 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963002892 616643106 /nfs/dbraw/zinc/64/31/06/616643106.db2.gz IJIXRSNACVSLHU-IWIIMEHWSA-N 2 2 277.328 -1.325 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963002892 616643109 /nfs/dbraw/zinc/64/31/09/616643109.db2.gz IJIXRSNACVSLHU-IWIIMEHWSA-N 2 2 277.328 -1.325 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958470640 616644558 /nfs/dbraw/zinc/64/45/58/616644558.db2.gz VXDWXLLNIVBXNA-SRRSOLGSSA-N 2 2 296.371 -1.891 20 0 CAADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958470640 616644561 /nfs/dbraw/zinc/64/45/61/616644561.db2.gz VXDWXLLNIVBXNA-SRRSOLGSSA-N 2 2 296.371 -1.891 20 0 CAADLP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958470640 616644563 /nfs/dbraw/zinc/64/45/63/616644563.db2.gz VXDWXLLNIVBXNA-SRRSOLGSSA-N 2 2 296.371 -1.891 20 0 CAADLP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958470640 616644565 /nfs/dbraw/zinc/64/45/65/616644565.db2.gz VXDWXLLNIVBXNA-SRRSOLGSSA-N 2 2 296.371 -1.891 20 0 CAADLP C[C@@H](C[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905344377 656190848 /nfs/dbraw/zinc/19/08/48/656190848.db2.gz YPWXBWPPWNDAPB-JTQLQIEISA-N 2 2 265.379 -1.025 20 0 CAADLP O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000923643388 656811290 /nfs/dbraw/zinc/81/12/90/656811290.db2.gz BBQPNTKFJDBUTD-SSDOTTSWSA-N 2 2 255.290 -1.125 20 0 CAADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439980 655999905 /nfs/dbraw/zinc/99/99/05/655999905.db2.gz DBOSWURNCFLZAN-PWSUYJOCSA-N 2 2 271.361 -1.254 20 0 CAADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCO)C1 ZINC000969439980 655999907 /nfs/dbraw/zinc/99/99/07/655999907.db2.gz DBOSWURNCFLZAN-PWSUYJOCSA-N 2 2 271.361 -1.254 20 0 CAADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103434 656008409 /nfs/dbraw/zinc/00/84/09/656008409.db2.gz OTMGZNCUHYKODI-MRVPVSSYSA-N 2 2 251.290 -1.372 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020930419 656009689 /nfs/dbraw/zinc/00/96/89/656009689.db2.gz SECYXAJYHYMSPZ-KYZUINATSA-N 2 2 265.317 -1.315 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001021047815 656010117 /nfs/dbraw/zinc/01/01/17/656010117.db2.gz PAPDCJZZBJLGKF-GMTAPVOTSA-N 2 2 293.375 -1.101 20 0 CAADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001021047815 656010121 /nfs/dbraw/zinc/01/01/21/656010121.db2.gz PAPDCJZZBJLGKF-GMTAPVOTSA-N 2 2 293.375 -1.101 20 0 CAADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970343840 656014896 /nfs/dbraw/zinc/01/48/96/656014896.db2.gz RPCZCIGYQFEIMW-MRVPVSSYSA-N 2 2 251.290 -1.372 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000068808971 656015117 /nfs/dbraw/zinc/01/51/17/656015117.db2.gz ARKWSQPAQNONNG-LLVKDONJSA-N 2 2 291.421 -2.028 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000068808971 656015120 /nfs/dbraw/zinc/01/51/20/656015120.db2.gz ARKWSQPAQNONNG-LLVKDONJSA-N 2 2 291.421 -2.028 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970482543 656016004 /nfs/dbraw/zinc/01/60/04/656016004.db2.gz VGGYTZWQBHNMMI-SECBINFHSA-N 2 2 265.317 -1.362 20 0 CAADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875577 656019982 /nfs/dbraw/zinc/01/99/82/656019982.db2.gz QDWGSOBVDNOBBW-VHSXEESVSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970875577 656019984 /nfs/dbraw/zinc/01/99/84/656019984.db2.gz QDWGSOBVDNOBBW-VHSXEESVSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)O1 ZINC000971777443 656027816 /nfs/dbraw/zinc/02/78/16/656027816.db2.gz BBTSEUKQYWTHMU-IJLUTSLNSA-N 2 2 298.387 -1.277 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(N)=O)C2)O1 ZINC000971777443 656027821 /nfs/dbraw/zinc/02/78/21/656027821.db2.gz BBTSEUKQYWTHMU-IJLUTSLNSA-N 2 2 298.387 -1.277 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)O1 ZINC000971777443 656027827 /nfs/dbraw/zinc/02/78/27/656027827.db2.gz BBTSEUKQYWTHMU-IJLUTSLNSA-N 2 2 298.387 -1.277 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)O1 ZINC000971777443 656027830 /nfs/dbraw/zinc/02/78/30/656027830.db2.gz BBTSEUKQYWTHMU-IJLUTSLNSA-N 2 2 298.387 -1.277 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926281331 656029087 /nfs/dbraw/zinc/02/90/87/656029087.db2.gz NNHVYUFIQCQJAX-CQSZACIVSA-N 2 2 298.387 -1.537 20 0 CAADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719365 656067031 /nfs/dbraw/zinc/06/70/31/656067031.db2.gz LTZFIZJWEPERCM-HHHUOAJASA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719365 656067032 /nfs/dbraw/zinc/06/70/32/656067032.db2.gz LTZFIZJWEPERCM-HHHUOAJASA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719365 656067033 /nfs/dbraw/zinc/06/70/33/656067033.db2.gz LTZFIZJWEPERCM-HHHUOAJASA-N 2 2 296.371 -1.763 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719365 656067035 /nfs/dbraw/zinc/06/70/35/656067035.db2.gz LTZFIZJWEPERCM-HHHUOAJASA-N 2 2 296.371 -1.763 20 0 CAADLP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027347574 656083074 /nfs/dbraw/zinc/08/30/74/656083074.db2.gz XGIVWOWHSKNMNL-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027347574 656083075 /nfs/dbraw/zinc/08/30/75/656083075.db2.gz XGIVWOWHSKNMNL-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027347574 656083078 /nfs/dbraw/zinc/08/30/78/656083078.db2.gz XGIVWOWHSKNMNL-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[NH+](CC(N)=O)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027347574 656083080 /nfs/dbraw/zinc/08/30/80/656083080.db2.gz XGIVWOWHSKNMNL-NWDGAFQWSA-N 2 2 298.387 -1.275 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)O1 ZINC001027966551 656100562 /nfs/dbraw/zinc/10/05/62/656100562.db2.gz QEYMRWNSQGHNFQ-GRYCIOLGSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)O1 ZINC001027966551 656100568 /nfs/dbraw/zinc/10/05/68/656100568.db2.gz QEYMRWNSQGHNFQ-GRYCIOLGSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)O1 ZINC001027966551 656100570 /nfs/dbraw/zinc/10/05/70/656100570.db2.gz QEYMRWNSQGHNFQ-GRYCIOLGSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)O1 ZINC001027966551 656100574 /nfs/dbraw/zinc/10/05/74/656100574.db2.gz QEYMRWNSQGHNFQ-GRYCIOLGSA-N 2 2 298.387 -1.229 20 0 CAADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000931887694 656107942 /nfs/dbraw/zinc/10/79/42/656107942.db2.gz XBWCOLZSYDLDDH-SDDRHHMPSA-N 2 2 296.371 -1.916 20 0 CAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000931887694 656107945 /nfs/dbraw/zinc/10/79/45/656107945.db2.gz XBWCOLZSYDLDDH-SDDRHHMPSA-N 2 2 296.371 -1.916 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000931887694 656107946 /nfs/dbraw/zinc/10/79/46/656107946.db2.gz XBWCOLZSYDLDDH-SDDRHHMPSA-N 2 2 296.371 -1.916 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000931887694 656107948 /nfs/dbraw/zinc/10/79/48/656107948.db2.gz XBWCOLZSYDLDDH-SDDRHHMPSA-N 2 2 296.371 -1.916 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327899 656113422 /nfs/dbraw/zinc/11/34/22/656113422.db2.gz FBVKUXHGEZRPPM-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327899 656113424 /nfs/dbraw/zinc/11/34/24/656113424.db2.gz FBVKUXHGEZRPPM-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028327899 656113426 /nfs/dbraw/zinc/11/34/26/656113426.db2.gz FBVKUXHGEZRPPM-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028327899 656113428 /nfs/dbraw/zinc/11/34/28/656113428.db2.gz FBVKUXHGEZRPPM-NWDGAFQWSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327904 656113524 /nfs/dbraw/zinc/11/35/24/656113524.db2.gz FBVKUXHGEZRPPM-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001028327904 656113526 /nfs/dbraw/zinc/11/35/26/656113526.db2.gz FBVKUXHGEZRPPM-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001028327904 656113528 /nfs/dbraw/zinc/11/35/28/656113528.db2.gz FBVKUXHGEZRPPM-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001028327904 656113529 /nfs/dbraw/zinc/11/35/29/656113529.db2.gz FBVKUXHGEZRPPM-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466852 656114650 /nfs/dbraw/zinc/11/46/50/656114650.db2.gz SWFKMLSXRFETOA-QWRGUYRKSA-N 2 2 284.360 -1.760 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466852 656114653 /nfs/dbraw/zinc/11/46/53/656114653.db2.gz SWFKMLSXRFETOA-QWRGUYRKSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028466852 656114655 /nfs/dbraw/zinc/11/46/55/656114655.db2.gz SWFKMLSXRFETOA-QWRGUYRKSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466852 656114657 /nfs/dbraw/zinc/11/46/57/656114657.db2.gz SWFKMLSXRFETOA-QWRGUYRKSA-N 2 2 284.360 -1.760 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466847 656114946 /nfs/dbraw/zinc/11/49/46/656114946.db2.gz SWFKMLSXRFETOA-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028466847 656114947 /nfs/dbraw/zinc/11/49/47/656114947.db2.gz SWFKMLSXRFETOA-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028466847 656114950 /nfs/dbraw/zinc/11/49/50/656114950.db2.gz SWFKMLSXRFETOA-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466847 656114951 /nfs/dbraw/zinc/11/49/51/656114951.db2.gz SWFKMLSXRFETOA-GHMZBOCLSA-N 2 2 284.360 -1.760 20 0 CAADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973722 656121219 /nfs/dbraw/zinc/12/12/19/656121219.db2.gz FNXFFUXASMJQNT-PRULPYPASA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000924973722 656121221 /nfs/dbraw/zinc/12/12/21/656121221.db2.gz FNXFFUXASMJQNT-PRULPYPASA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000924973722 656121225 /nfs/dbraw/zinc/12/12/25/656121225.db2.gz FNXFFUXASMJQNT-PRULPYPASA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973723 656121760 /nfs/dbraw/zinc/12/17/60/656121760.db2.gz FNXFFUXASMJQNT-UZWSLXQKSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000924973723 656121762 /nfs/dbraw/zinc/12/17/62/656121762.db2.gz FNXFFUXASMJQNT-UZWSLXQKSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000924973723 656121764 /nfs/dbraw/zinc/12/17/64/656121764.db2.gz FNXFFUXASMJQNT-UZWSLXQKSA-N 2 2 271.361 -1.377 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(F)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928551898 656127029 /nfs/dbraw/zinc/12/70/29/656127029.db2.gz GIWRBXPMERWSMN-UWVGGRQHSA-N 2 2 286.351 -1.035 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(F)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928551898 656127031 /nfs/dbraw/zinc/12/70/31/656127031.db2.gz GIWRBXPMERWSMN-UWVGGRQHSA-N 2 2 286.351 -1.035 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001007005929 656129849 /nfs/dbraw/zinc/12/98/49/656129849.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCO)C2)C1 ZINC001007005929 656129850 /nfs/dbraw/zinc/12/98/50/656129850.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005929 656129854 /nfs/dbraw/zinc/12/98/54/656129854.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005929 656129858 /nfs/dbraw/zinc/12/98/58/656129858.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929102771 656147575 /nfs/dbraw/zinc/14/75/75/656147575.db2.gz SWRVVZKDIDIQOR-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000929102771 656147577 /nfs/dbraw/zinc/14/75/77/656147577.db2.gz SWRVVZKDIDIQOR-GFCCVEGCSA-N 2 2 298.387 -1.355 20 0 CAADLP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925300271 656147670 /nfs/dbraw/zinc/14/76/70/656147670.db2.gz RKSHWLHGBMIFKW-NXEZZACHSA-N 2 2 270.333 -1.201 20 0 CAADLP C[NH+](C)C[C@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300271 656147672 /nfs/dbraw/zinc/14/76/72/656147672.db2.gz RKSHWLHGBMIFKW-NXEZZACHSA-N 2 2 270.333 -1.201 20 0 CAADLP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@H+](C)CCO2)C1=O ZINC000925300290 656147972 /nfs/dbraw/zinc/14/79/72/656147972.db2.gz RKSHWLHGBMIFKW-ZJUUUORDSA-N 2 2 270.333 -1.201 20 0 CAADLP C[NH+](C)C[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](C)CCO2)C1=O ZINC000925300290 656147974 /nfs/dbraw/zinc/14/79/74/656147974.db2.gz RKSHWLHGBMIFKW-ZJUUUORDSA-N 2 2 270.333 -1.201 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000989661562 656151768 /nfs/dbraw/zinc/15/17/68/656151768.db2.gz IZOCIQCNTOWIDS-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000989661562 656151769 /nfs/dbraw/zinc/15/17/69/656151769.db2.gz IZOCIQCNTOWIDS-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000989661562 656151770 /nfs/dbraw/zinc/15/17/70/656151770.db2.gz IZOCIQCNTOWIDS-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000989661562 656151771 /nfs/dbraw/zinc/15/17/71/656151771.db2.gz IZOCIQCNTOWIDS-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000989661550 656151788 /nfs/dbraw/zinc/15/17/88/656151788.db2.gz IZOCIQCNTOWIDS-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000989661550 656151789 /nfs/dbraw/zinc/15/17/89/656151789.db2.gz IZOCIQCNTOWIDS-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000989661550 656151790 /nfs/dbraw/zinc/15/17/90/656151790.db2.gz IZOCIQCNTOWIDS-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000989661550 656151791 /nfs/dbraw/zinc/15/17/91/656151791.db2.gz IZOCIQCNTOWIDS-LLVKDONJSA-N 2 2 268.361 -1.042 20 0 CAADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000989852616 656152922 /nfs/dbraw/zinc/15/29/22/656152922.db2.gz BLJYQIZMUDYSQW-VHSXEESVSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000989852618 656153006 /nfs/dbraw/zinc/15/30/06/656153006.db2.gz BLJYQIZMUDYSQW-ZJUUUORDSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cn1cc[nH+]c1 ZINC000989852615 656153087 /nfs/dbraw/zinc/15/30/87/656153087.db2.gz BLJYQIZMUDYSQW-UWVGGRQHSA-N 2 2 265.317 -1.053 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900600224 656169129 /nfs/dbraw/zinc/16/91/29/656169129.db2.gz BIYNPYFAZMOYHB-OUCADQQQSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900600224 656169131 /nfs/dbraw/zinc/16/91/31/656169131.db2.gz BIYNPYFAZMOYHB-OUCADQQQSA-N 2 2 285.388 -1.034 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000902932152 656184272 /nfs/dbraw/zinc/18/42/72/656184272.db2.gz BMQNIEATASYZKZ-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000902932152 656184274 /nfs/dbraw/zinc/18/42/74/656184274.db2.gz BMQNIEATASYZKZ-UWVGGRQHSA-N 2 2 254.334 -1.373 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903794252 656186694 /nfs/dbraw/zinc/18/66/94/656186694.db2.gz XVTZTYQMPIMJLM-JTQLQIEISA-N 2 2 268.361 -1.044 20 0 CAADLP [NH3+]CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329262 656190607 /nfs/dbraw/zinc/19/06/07/656190607.db2.gz JQZMQXUQRKWDPY-UHFFFAOYSA-N 2 2 251.352 -1.413 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1CCO ZINC000907545906 656199243 /nfs/dbraw/zinc/19/92/43/656199243.db2.gz ZJJUJHJJGHXRRH-DYEKYZERSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1CCO ZINC000907545906 656199245 /nfs/dbraw/zinc/19/92/45/656199245.db2.gz ZJJUJHJJGHXRRH-DYEKYZERSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1CCO ZINC000907545906 656199247 /nfs/dbraw/zinc/19/92/47/656199247.db2.gz ZJJUJHJJGHXRRH-DYEKYZERSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1CCO ZINC000907545906 656199249 /nfs/dbraw/zinc/19/92/49/656199249.db2.gz ZJJUJHJJGHXRRH-DYEKYZERSA-N 2 2 285.388 -1.034 20 0 CAADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911373756 656243191 /nfs/dbraw/zinc/24/31/91/656243191.db2.gz JUYLVFNNGCZPEU-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911562448 656250636 /nfs/dbraw/zinc/25/06/36/656250636.db2.gz CTPPKSJCCZDQBT-HAQNSBGRSA-N 2 2 298.387 -1.370 20 0 CAADLP [NH3+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911624286 656251598 /nfs/dbraw/zinc/25/15/98/656251598.db2.gz QZROTJKCLDAUKQ-MNOVXSKESA-N 2 2 257.334 -1.059 20 0 CAADLP O=C(CNC(=O)[C@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]CC1 ZINC000911703277 656252815 /nfs/dbraw/zinc/25/28/15/656252815.db2.gz WOTJHDIIMZDSTK-NSHDSACASA-N 2 2 291.355 -1.007 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911905525 656255828 /nfs/dbraw/zinc/25/58/28/656255828.db2.gz RXIMVCFENBHBBC-MBNYWOFBSA-N 2 2 283.372 -1.281 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000911905525 656255832 /nfs/dbraw/zinc/25/58/32/656255832.db2.gz RXIMVCFENBHBBC-MBNYWOFBSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911905525 656255836 /nfs/dbraw/zinc/25/58/36/656255836.db2.gz RXIMVCFENBHBBC-MBNYWOFBSA-N 2 2 283.372 -1.281 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911905525 656255840 /nfs/dbraw/zinc/25/58/40/656255840.db2.gz RXIMVCFENBHBBC-MBNYWOFBSA-N 2 2 283.372 -1.281 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](CO)C1 ZINC000912733941 656264223 /nfs/dbraw/zinc/26/42/23/656264223.db2.gz AIMPLDRGNLUVCE-CHWSQXEVSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](CO)C1 ZINC000912733941 656264225 /nfs/dbraw/zinc/26/42/25/656264225.db2.gz AIMPLDRGNLUVCE-CHWSQXEVSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](CO)C1 ZINC000912733943 656265109 /nfs/dbraw/zinc/26/51/09/656265109.db2.gz AIMPLDRGNLUVCE-QWHCGFSZSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](CO)C1 ZINC000912733943 656265117 /nfs/dbraw/zinc/26/51/17/656265117.db2.gz AIMPLDRGNLUVCE-QWHCGFSZSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913177990 656272805 /nfs/dbraw/zinc/27/28/05/656272805.db2.gz BLUSYFMUOFBTKS-WXHSDQCUSA-N 2 2 287.360 -2.091 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913177990 656272811 /nfs/dbraw/zinc/27/28/11/656272811.db2.gz BLUSYFMUOFBTKS-WXHSDQCUSA-N 2 2 287.360 -2.091 20 0 CAADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913177988 656273316 /nfs/dbraw/zinc/27/33/16/656273316.db2.gz BLUSYFMUOFBTKS-RTXFEEFZSA-N 2 2 287.360 -2.091 20 0 CAADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913177988 656273324 /nfs/dbraw/zinc/27/33/24/656273324.db2.gz BLUSYFMUOFBTKS-RTXFEEFZSA-N 2 2 287.360 -2.091 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913179780 656273986 /nfs/dbraw/zinc/27/39/86/656273986.db2.gz RYKBOIRIEPIXCA-GFCCVEGCSA-N 2 2 268.317 -1.341 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182333 656274225 /nfs/dbraw/zinc/27/42/25/656274225.db2.gz WENRZEQRZSDGBE-LLVKDONJSA-N 2 2 254.290 -1.650 20 0 CAADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913179781 656274570 /nfs/dbraw/zinc/27/45/70/656274570.db2.gz RYKBOIRIEPIXCA-LBPRGKRZSA-N 2 2 268.317 -1.341 20 0 CAADLP O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913182389 656275197 /nfs/dbraw/zinc/27/51/97/656275197.db2.gz XGJDIRSYQSWHOC-RISCZKNCSA-N 2 2 294.355 -1.087 20 0 CAADLP C[NH+](C)C1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000913184858 656276486 /nfs/dbraw/zinc/27/64/86/656276486.db2.gz URFIIURBZRGWKG-NSHDSACASA-N 2 2 257.334 -1.452 20 0 CAADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351304 656281414 /nfs/dbraw/zinc/28/14/14/656281414.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000913351304 656281419 /nfs/dbraw/zinc/28/14/19/656281419.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913351304 656281423 /nfs/dbraw/zinc/28/14/23/656281423.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000913351304 656281428 /nfs/dbraw/zinc/28/14/28/656281428.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1CO ZINC000913541553 656284625 /nfs/dbraw/zinc/28/46/25/656284625.db2.gz PFBBUXAAMUKFLV-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1CO ZINC000913541553 656284631 /nfs/dbraw/zinc/28/46/31/656284631.db2.gz PFBBUXAAMUKFLV-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1CO ZINC000913541553 656284635 /nfs/dbraw/zinc/28/46/35/656284635.db2.gz PFBBUXAAMUKFLV-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1CO ZINC000913541553 656284640 /nfs/dbraw/zinc/28/46/40/656284640.db2.gz PFBBUXAAMUKFLV-XQQFMLRXSA-N 2 2 283.372 -1.016 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)[N@H+](C)C1 ZINC000913543166 656285587 /nfs/dbraw/zinc/28/55/87/656285587.db2.gz AZUSAAGWLOKOAW-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)[N@@H+](C)C1 ZINC000913543166 656285591 /nfs/dbraw/zinc/28/55/91/656285591.db2.gz AZUSAAGWLOKOAW-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)[NH+](C)C1 ZINC000913543166 656285601 /nfs/dbraw/zinc/28/56/01/656285601.db2.gz AZUSAAGWLOKOAW-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)[NH+](C)C1 ZINC000913543166 656285607 /nfs/dbraw/zinc/28/56/07/656285607.db2.gz AZUSAAGWLOKOAW-SRVKXCTJSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)[N@H+](C)C1 ZINC000913543167 656286232 /nfs/dbraw/zinc/28/62/32/656286232.db2.gz AZUSAAGWLOKOAW-WOPDTQHZSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)[N@@H+](C)C1 ZINC000913543167 656286234 /nfs/dbraw/zinc/28/62/34/656286234.db2.gz AZUSAAGWLOKOAW-WOPDTQHZSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)[NH+](C)C1 ZINC000913543167 656286237 /nfs/dbraw/zinc/28/62/37/656286237.db2.gz AZUSAAGWLOKOAW-WOPDTQHZSA-N 2 2 271.361 -1.160 20 0 CAADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)[NH+](C)C1 ZINC000913543167 656286240 /nfs/dbraw/zinc/28/62/40/656286240.db2.gz AZUSAAGWLOKOAW-WOPDTQHZSA-N 2 2 271.361 -1.160 20 0 CAADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CO ZINC000913550828 656287200 /nfs/dbraw/zinc/28/72/00/656287200.db2.gz CKWHDHAUFRZUOQ-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CO ZINC000913550828 656287201 /nfs/dbraw/zinc/28/72/01/656287201.db2.gz CKWHDHAUFRZUOQ-GFCCVEGCSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CO)CC1 ZINC000929848637 656353878 /nfs/dbraw/zinc/35/38/78/656353878.db2.gz OWVKBVIGGXRJDV-RYUDHWBXSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031580465 656376439 /nfs/dbraw/zinc/37/64/39/656376439.db2.gz SJFJHTUOURQSBX-SNVBAGLBSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031580465 656376442 /nfs/dbraw/zinc/37/64/42/656376442.db2.gz SJFJHTUOURQSBX-SNVBAGLBSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031580464 656376840 /nfs/dbraw/zinc/37/68/40/656376840.db2.gz SJFJHTUOURQSBX-JTQLQIEISA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031580464 656376841 /nfs/dbraw/zinc/37/68/41/656376841.db2.gz SJFJHTUOURQSBX-JTQLQIEISA-N 2 2 254.334 -1.386 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675465 656382537 /nfs/dbraw/zinc/38/25/37/656382537.db2.gz JBYBTKMMTMBEND-GFCCVEGCSA-N 2 2 280.372 -1.139 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689631 656382780 /nfs/dbraw/zinc/38/27/80/656382780.db2.gz XWFJWSWZHDLNCW-NWDGAFQWSA-N 2 2 296.371 -1.617 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031689631 656382785 /nfs/dbraw/zinc/38/27/85/656382785.db2.gz XWFJWSWZHDLNCW-NWDGAFQWSA-N 2 2 296.371 -1.617 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000068809017 656390578 /nfs/dbraw/zinc/39/05/78/656390578.db2.gz SCROWSNJRFZRLF-VXGBXAGGSA-N 2 2 290.433 -1.096 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000068809017 656390584 /nfs/dbraw/zinc/39/05/84/656390584.db2.gz SCROWSNJRFZRLF-VXGBXAGGSA-N 2 2 290.433 -1.096 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765701 656391338 /nfs/dbraw/zinc/39/13/38/656391338.db2.gz MMYYLQWNYGPXDM-ZYHUDNBSSA-N 2 2 298.387 -1.501 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765701 656391343 /nfs/dbraw/zinc/39/13/43/656391343.db2.gz MMYYLQWNYGPXDM-ZYHUDNBSSA-N 2 2 298.387 -1.501 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765908 656391727 /nfs/dbraw/zinc/39/17/27/656391727.db2.gz UNLGQVIWTQAQJN-CKYFFXLPSA-N 2 2 298.387 -1.373 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765908 656391732 /nfs/dbraw/zinc/39/17/32/656391732.db2.gz UNLGQVIWTQAQJN-CKYFFXLPSA-N 2 2 298.387 -1.373 20 0 CAADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC000939412852 656396402 /nfs/dbraw/zinc/39/64/02/656396402.db2.gz HQODMONALZGEDS-IUCAKERBSA-N 2 2 265.317 -1.126 20 0 CAADLP C[NH+]1CCC(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001031947821 656412389 /nfs/dbraw/zinc/41/23/89/656412389.db2.gz LMYNTJKEKLSWAW-UHFFFAOYSA-N 2 2 268.361 -1.139 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980607 656446955 /nfs/dbraw/zinc/44/69/55/656446955.db2.gz WNPLCVYVUUIDMH-MWLCHTKSSA-N 2 2 268.361 -1.283 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031980607 656446962 /nfs/dbraw/zinc/44/69/62/656446962.db2.gz WNPLCVYVUUIDMH-MWLCHTKSSA-N 2 2 268.361 -1.283 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976635 656446685 /nfs/dbraw/zinc/44/66/85/656446685.db2.gz PBUXWPUJDYXGPV-JQWIXIFHSA-N 2 2 282.388 -1.022 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976635 656446690 /nfs/dbraw/zinc/44/66/90/656446690.db2.gz PBUXWPUJDYXGPV-JQWIXIFHSA-N 2 2 282.388 -1.022 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976634 656447929 /nfs/dbraw/zinc/44/79/29/656447929.db2.gz PBUXWPUJDYXGPV-CMPLNLGQSA-N 2 2 282.388 -1.022 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976634 656447931 /nfs/dbraw/zinc/44/79/31/656447931.db2.gz PBUXWPUJDYXGPV-CMPLNLGQSA-N 2 2 282.388 -1.022 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976637 656448473 /nfs/dbraw/zinc/44/84/73/656448473.db2.gz PBUXWPUJDYXGPV-ZYHUDNBSSA-N 2 2 282.388 -1.022 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976637 656448484 /nfs/dbraw/zinc/44/84/84/656448484.db2.gz PBUXWPUJDYXGPV-ZYHUDNBSSA-N 2 2 282.388 -1.022 20 0 CAADLP NC(=O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130593 656467194 /nfs/dbraw/zinc/46/71/94/656467194.db2.gz WUFJEQIGXRUNKZ-UHFFFAOYSA-N 2 2 266.345 -1.385 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032181155 656467899 /nfs/dbraw/zinc/46/78/99/656467899.db2.gz BKZMGTLDKRUEDJ-NEPJUHHUSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001032181155 656467901 /nfs/dbraw/zinc/46/79/01/656467901.db2.gz BKZMGTLDKRUEDJ-NEPJUHHUSA-N 2 2 280.372 -1.125 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032183017 656468034 /nfs/dbraw/zinc/46/80/34/656468034.db2.gz XMWIQVBJJQNMCK-SNVBAGLBSA-N 2 2 254.334 -1.529 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032183017 656468035 /nfs/dbraw/zinc/46/80/35/656468035.db2.gz XMWIQVBJJQNMCK-SNVBAGLBSA-N 2 2 254.334 -1.529 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182892 656468351 /nfs/dbraw/zinc/46/83/51/656468351.db2.gz UWJQTEDKHPOYMF-LLVKDONJSA-N 2 2 268.361 -1.268 20 0 CAADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182892 656468357 /nfs/dbraw/zinc/46/83/57/656468357.db2.gz UWJQTEDKHPOYMF-LLVKDONJSA-N 2 2 268.361 -1.268 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182579 656468717 /nfs/dbraw/zinc/46/87/17/656468717.db2.gz NWGCNFWWAZCTQP-KOLCDFICSA-N 2 2 268.361 -1.140 20 0 CAADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182579 656468722 /nfs/dbraw/zinc/46/87/22/656468722.db2.gz NWGCNFWWAZCTQP-KOLCDFICSA-N 2 2 268.361 -1.140 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001032197334 656470026 /nfs/dbraw/zinc/47/00/26/656470026.db2.gz ITCCLIUAUXUDDQ-JQWIXIFHSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001032197334 656470030 /nfs/dbraw/zinc/47/00/30/656470030.db2.gz ITCCLIUAUXUDDQ-JQWIXIFHSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001032197333 656470176 /nfs/dbraw/zinc/47/01/76/656470176.db2.gz ITCCLIUAUXUDDQ-CMPLNLGQSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)C1 ZINC001032197333 656470180 /nfs/dbraw/zinc/47/01/80/656470180.db2.gz ITCCLIUAUXUDDQ-CMPLNLGQSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001032197336 656470467 /nfs/dbraw/zinc/47/04/67/656470467.db2.gz ITCCLIUAUXUDDQ-ZYHUDNBSSA-N 2 2 298.387 -1.371 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)C1 ZINC001032197336 656470471 /nfs/dbraw/zinc/47/04/71/656470471.db2.gz ITCCLIUAUXUDDQ-ZYHUDNBSSA-N 2 2 298.387 -1.371 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032331330 656495533 /nfs/dbraw/zinc/49/55/33/656495533.db2.gz AHMRZWXAVUYZEM-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032331330 656495534 /nfs/dbraw/zinc/49/55/34/656495534.db2.gz AHMRZWXAVUYZEM-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032331330 656495539 /nfs/dbraw/zinc/49/55/39/656495539.db2.gz AHMRZWXAVUYZEM-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032331330 656495540 /nfs/dbraw/zinc/49/55/40/656495540.db2.gz AHMRZWXAVUYZEM-AVGNSLFASA-N 2 2 283.372 -1.016 20 0 CAADLP NC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413354 656510090 /nfs/dbraw/zinc/51/00/90/656510090.db2.gz NLJYFZOIHXVBPR-UHFFFAOYSA-N 2 2 265.317 -1.051 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821919 656563003 /nfs/dbraw/zinc/56/30/03/656563003.db2.gz FGMJXTBOCILVDF-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000998821919 656563011 /nfs/dbraw/zinc/56/30/11/656563011.db2.gz FGMJXTBOCILVDF-GHMZBOCLSA-N 2 2 284.360 -1.617 20 0 CAADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001057016 656616686 /nfs/dbraw/zinc/61/66/86/656616686.db2.gz SSTPKCBSOJDXAM-JTQLQIEISA-N 2 2 265.317 -1.051 20 0 CAADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001057018 656617146 /nfs/dbraw/zinc/61/71/46/656617146.db2.gz SSTPKCBSOJDXAM-SNVBAGLBSA-N 2 2 265.317 -1.051 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001001278245 656620736 /nfs/dbraw/zinc/62/07/36/656620736.db2.gz JQBIFJLNBGOJCJ-GFCCVEGCSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001001278245 656620744 /nfs/dbraw/zinc/62/07/44/656620744.db2.gz JQBIFJLNBGOJCJ-GFCCVEGCSA-N 2 2 298.387 -1.370 20 0 CAADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002522542 656630348 /nfs/dbraw/zinc/63/03/48/656630348.db2.gz JZCHENIFRPPSMC-GFCCVEGCSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002522542 656630352 /nfs/dbraw/zinc/63/03/52/656630352.db2.gz JZCHENIFRPPSMC-GFCCVEGCSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002522545 656630489 /nfs/dbraw/zinc/63/04/89/656630489.db2.gz JZCHENIFRPPSMC-LBPRGKRZSA-N 2 2 298.387 -1.356 20 0 CAADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002522545 656630492 /nfs/dbraw/zinc/63/04/92/656630492.db2.gz JZCHENIFRPPSMC-LBPRGKRZSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002535095 656630704 /nfs/dbraw/zinc/63/07/04/656630704.db2.gz PKZJTVWSVDUYGV-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002535095 656630710 /nfs/dbraw/zinc/63/07/10/656630710.db2.gz PKZJTVWSVDUYGV-JQWIXIFHSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)O1 ZINC001003139088 656647385 /nfs/dbraw/zinc/64/73/85/656647385.db2.gz OFEZIXJNEMKYGS-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)O1 ZINC001003139088 656647398 /nfs/dbraw/zinc/64/73/98/656647398.db2.gz OFEZIXJNEMKYGS-ZYHUDNBSSA-N 2 2 298.387 -1.229 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004184045 656677770 /nfs/dbraw/zinc/67/77/70/656677770.db2.gz BULIJICRFCEZSR-LBPRGKRZSA-N 2 2 298.387 -1.227 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)C1 ZINC001004184045 656677779 /nfs/dbraw/zinc/67/77/79/656677779.db2.gz BULIJICRFCEZSR-LBPRGKRZSA-N 2 2 298.387 -1.227 20 0 CAADLP CCNS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321131963 656684143 /nfs/dbraw/zinc/68/41/43/656684143.db2.gz CFLHEYYHCNOWIY-UHFFFAOYSA-N 2 2 250.368 -1.147 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035312216 656757078 /nfs/dbraw/zinc/75/70/78/656757078.db2.gz HCEYWHOJEGLBSN-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035312216 656757082 /nfs/dbraw/zinc/75/70/82/656757082.db2.gz HCEYWHOJEGLBSN-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035312216 656757086 /nfs/dbraw/zinc/75/70/86/656757086.db2.gz HCEYWHOJEGLBSN-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035312216 656757088 /nfs/dbraw/zinc/75/70/88/656757088.db2.gz HCEYWHOJEGLBSN-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP COC[C@]1(C(=O)N2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710829815 656795999 /nfs/dbraw/zinc/79/59/99/656795999.db2.gz PAWUGFTYQIVNOW-LBPRGKRZSA-N 2 2 257.334 -1.235 20 0 CAADLP COC[C@@]1(C(=O)N2CC[NH+](C)CC2)C[NH2+]CCO1 ZINC000710829811 656796503 /nfs/dbraw/zinc/79/65/03/656796503.db2.gz PAWUGFTYQIVNOW-GFCCVEGCSA-N 2 2 257.334 -1.235 20 0 CAADLP COC[C@]1(C(=O)N2CC[NH+](CCO)CC2)C[NH2+]CCO1 ZINC000710833880 656797067 /nfs/dbraw/zinc/79/70/67/656797067.db2.gz YRZRMSHTUSCQJK-ZDUSSCGKSA-N 2 2 287.360 -1.872 20 0 CAADLP COC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)C[NH2+]CCO1 ZINC000710833878 656798238 /nfs/dbraw/zinc/79/82/38/656798238.db2.gz YRZRMSHTUSCQJK-CYBMUJFWSA-N 2 2 287.360 -1.872 20 0 CAADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332096 656802540 /nfs/dbraw/zinc/80/25/40/656802540.db2.gz HCKLDWHEOOABLS-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332096 656802542 /nfs/dbraw/zinc/80/25/42/656802542.db2.gz HCKLDWHEOOABLS-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000923334340 656802570 /nfs/dbraw/zinc/80/25/70/656802570.db2.gz WNDNODNBLSXNKI-CYDGBPFRSA-N 3 2 282.388 -1.267 20 0 CAADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000923334340 656802574 /nfs/dbraw/zinc/80/25/74/656802574.db2.gz WNDNODNBLSXNKI-CYDGBPFRSA-N 3 2 282.388 -1.267 20 0 CAADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398723 656803743 /nfs/dbraw/zinc/80/37/43/656803743.db2.gz LOPWQMYYDKMNOG-NWDGAFQWSA-N 2 2 298.387 -1.005 20 0 CAADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923398723 656803745 /nfs/dbraw/zinc/80/37/45/656803745.db2.gz LOPWQMYYDKMNOG-NWDGAFQWSA-N 2 2 298.387 -1.005 20 0 CAADLP COC[C@@H](O)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923398904 656803759 /nfs/dbraw/zinc/80/37/59/656803759.db2.gz OFEVQLBERDTYCY-LBPRGKRZSA-N 2 2 286.376 -1.364 20 0 CAADLP O=S(=O)(C1C[NH+](C[C@@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000923434325 656804632 /nfs/dbraw/zinc/80/46/32/656804632.db2.gz NNLWWHLWEGVZMG-NSHDSACASA-N 2 2 289.401 -1.058 20 0 CAADLP O=S(=O)(C1C[NH+](C[C@H]2CCOC2)C1)N1CC[NH2+]CC1 ZINC000923434323 656805083 /nfs/dbraw/zinc/80/50/83/656805083.db2.gz NNLWWHLWEGVZMG-LLVKDONJSA-N 2 2 289.401 -1.058 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923549958 656806153 /nfs/dbraw/zinc/80/61/53/656806153.db2.gz SPHZVYXEERWBMW-OUAUKWLOSA-N 2 2 274.390 -1.324 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923549958 656806155 /nfs/dbraw/zinc/80/61/55/656806155.db2.gz SPHZVYXEERWBMW-OUAUKWLOSA-N 2 2 274.390 -1.324 20 0 CAADLP O=S1(=O)NC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN21 ZINC000923550439 656806737 /nfs/dbraw/zinc/80/67/37/656806737.db2.gz XTJCXRSFGZLKOT-WDEREUQCSA-N 2 2 274.390 -1.180 20 0 CAADLP O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN21 ZINC000923550439 656806739 /nfs/dbraw/zinc/80/67/39/656806739.db2.gz XTJCXRSFGZLKOT-WDEREUQCSA-N 2 2 274.390 -1.180 20 0 CAADLP O=S1(=O)NC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN21 ZINC000923550437 656807059 /nfs/dbraw/zinc/80/70/59/656807059.db2.gz XTJCXRSFGZLKOT-QWRGUYRKSA-N 2 2 274.390 -1.180 20 0 CAADLP O=S1(=O)NC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN21 ZINC000923550437 656807060 /nfs/dbraw/zinc/80/70/60/656807060.db2.gz XTJCXRSFGZLKOT-QWRGUYRKSA-N 2 2 274.390 -1.180 20 0 CAADLP O=S1(=O)NC[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550435 656807134 /nfs/dbraw/zinc/80/71/34/656807134.db2.gz XTJCXRSFGZLKOT-MNOVXSKESA-N 2 2 274.390 -1.180 20 0 CAADLP O=S1(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN21 ZINC000923550435 656807135 /nfs/dbraw/zinc/80/71/35/656807135.db2.gz XTJCXRSFGZLKOT-MNOVXSKESA-N 2 2 274.390 -1.180 20 0 CAADLP CN(C)c1[nH+]cc(CNS(=O)(=O)C2C[NH2+]C2)n1C ZINC000923610025 656809674 /nfs/dbraw/zinc/80/96/74/656809674.db2.gz XTJOUMHVQVOIFA-UHFFFAOYSA-N 2 2 273.362 -1.123 20 0 CAADLP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000923620229 656810227 /nfs/dbraw/zinc/81/02/27/656810227.db2.gz SBDOSGGIWGEIKJ-LLVKDONJSA-N 2 2 290.433 -1.239 20 0 CAADLP C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C ZINC000923620628 656810392 /nfs/dbraw/zinc/81/03/92/656810392.db2.gz KGNCYWDLHAGBJE-NXEZZACHSA-N 2 2 277.390 -1.325 20 0 CAADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000923640227 656811614 /nfs/dbraw/zinc/81/16/14/656811614.db2.gz IYTBBWNOBCYEIO-ZETCQYMHSA-N 2 2 255.290 -1.173 20 0 CAADLP Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923641976 656811659 /nfs/dbraw/zinc/81/16/59/656811659.db2.gz BMLYDOKIZLJMKD-SNVBAGLBSA-N 2 2 285.373 -1.332 20 0 CAADLP O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)C1C[NH2+]C1 ZINC000923643389 656811860 /nfs/dbraw/zinc/81/18/60/656811860.db2.gz BBQPNTKFJDBUTD-ZETCQYMHSA-N 2 2 255.290 -1.125 20 0 CAADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000923645184 656812497 /nfs/dbraw/zinc/81/24/97/656812497.db2.gz RAUDOHLNYIAMOR-GHMZBOCLSA-N 2 2 290.389 -1.801 20 0 CAADLP CN(C1CC1)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923691928 656815873 /nfs/dbraw/zinc/81/58/73/656815873.db2.gz XNKPETMGGBPLKY-UHFFFAOYSA-N 2 2 262.379 -1.180 20 0 CAADLP CCN(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690968 656816367 /nfs/dbraw/zinc/81/63/67/656816367.db2.gz JPCFYHZYPDICNE-UHFFFAOYSA-N 2 2 250.368 -1.322 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926410825 656822621 /nfs/dbraw/zinc/82/26/21/656822621.db2.gz BHWFJQPFTGRUHK-ZDUSSCGKSA-N 2 2 284.360 -1.927 20 0 CAADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926414284 656822744 /nfs/dbraw/zinc/82/27/44/656822744.db2.gz VKTAGHWTHBIPRL-NSHDSACASA-N 2 2 268.361 -1.042 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)[C@H](F)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928551896 656826846 /nfs/dbraw/zinc/82/68/46/656826846.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 2 2 286.351 -1.035 20 0 CAADLP C[NH+]1CC[C@H]1CNC(=O)[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928551896 656826849 /nfs/dbraw/zinc/82/68/49/656826849.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 2 2 286.351 -1.035 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H](F)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928551896 656826853 /nfs/dbraw/zinc/82/68/53/656826853.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 2 2 286.351 -1.035 20 0 CAADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H](F)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928551896 656826855 /nfs/dbraw/zinc/82/68/55/656826855.db2.gz GIWRBXPMERWSMN-JGPRNRPPSA-N 2 2 286.351 -1.035 20 0 CAADLP C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929512358 656831349 /nfs/dbraw/zinc/83/13/49/656831349.db2.gz ACBHOYTXSMDCPS-QWHCGFSZSA-N 2 2 285.388 -1.032 20 0 CAADLP C[C@@H](O)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929512357 656831558 /nfs/dbraw/zinc/83/15/58/656831558.db2.gz ACBHOYTXSMDCPS-OLZOCXBDSA-N 2 2 285.388 -1.032 20 0 CAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000930008246 656834871 /nfs/dbraw/zinc/83/48/71/656834871.db2.gz ATKRWMMWPHEVAQ-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000930008246 656834874 /nfs/dbraw/zinc/83/48/74/656834874.db2.gz ATKRWMMWPHEVAQ-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000930008246 656834876 /nfs/dbraw/zinc/83/48/76/656834876.db2.gz ATKRWMMWPHEVAQ-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000930008246 656834879 /nfs/dbraw/zinc/83/48/79/656834879.db2.gz ATKRWMMWPHEVAQ-NWDGAFQWSA-N 2 2 298.387 -1.356 20 0 CAADLP C[C@H](CNC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000931697300 656848200 /nfs/dbraw/zinc/84/82/00/656848200.db2.gz GTCFRPCSAYPCKC-FMKNKJFCSA-N 2 2 295.383 -1.376 20 0 CAADLP C[C@H](CNC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000931697300 656848206 /nfs/dbraw/zinc/84/82/06/656848206.db2.gz GTCFRPCSAYPCKC-FMKNKJFCSA-N 2 2 295.383 -1.376 20 0 CAADLP C[C@H](CNC(=O)C[NH+]1C[C@@H]2C[C@]2(O)C1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000931697300 656848208 /nfs/dbraw/zinc/84/82/08/656848208.db2.gz GTCFRPCSAYPCKC-FMKNKJFCSA-N 2 2 295.383 -1.376 20 0 CAADLP C[C@H](CNC(=O)C[NH+]1C[C@@H]2C[C@]2(O)C1)[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000931697300 656848214 /nfs/dbraw/zinc/84/82/14/656848214.db2.gz GTCFRPCSAYPCKC-FMKNKJFCSA-N 2 2 295.383 -1.376 20 0 CAADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946127 656855291 /nfs/dbraw/zinc/85/52/91/656855291.db2.gz CIARWOFLOZRDHV-GHMZBOCLSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946127 656855296 /nfs/dbraw/zinc/85/52/96/656855296.db2.gz CIARWOFLOZRDHV-GHMZBOCLSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946127 656855300 /nfs/dbraw/zinc/85/53/00/656855300.db2.gz CIARWOFLOZRDHV-GHMZBOCLSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946127 656855302 /nfs/dbraw/zinc/85/53/02/656855302.db2.gz CIARWOFLOZRDHV-GHMZBOCLSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946137 656855477 /nfs/dbraw/zinc/85/54/77/656855477.db2.gz CIARWOFLOZRDHV-QWRGUYRKSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946137 656855482 /nfs/dbraw/zinc/85/54/82/656855482.db2.gz CIARWOFLOZRDHV-QWRGUYRKSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946137 656855485 /nfs/dbraw/zinc/85/54/85/656855485.db2.gz CIARWOFLOZRDHV-QWRGUYRKSA-N 2 2 279.406 -1.091 20 0 CAADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946137 656855488 /nfs/dbraw/zinc/85/54/88/656855488.db2.gz CIARWOFLOZRDHV-QWRGUYRKSA-N 2 2 279.406 -1.091 20 0 CAADLP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[NH+](CCO)CC1 ZINC000949380306 656876899 /nfs/dbraw/zinc/87/68/99/656876899.db2.gz DTQBOPXGCZENCC-OWYJLGKBSA-N 2 2 295.383 -1.014 20 0 CAADLP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CC[NH+](CCO)CC1 ZINC000949380306 656876902 /nfs/dbraw/zinc/87/69/02/656876902.db2.gz DTQBOPXGCZENCC-OWYJLGKBSA-N 2 2 295.383 -1.014 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000250399944 656929671 /nfs/dbraw/zinc/92/96/71/656929671.db2.gz SCROWSNJRFZRLF-NEPJUHHUSA-N 2 2 290.433 -1.096 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000250399944 656929686 /nfs/dbraw/zinc/92/96/86/656929686.db2.gz SCROWSNJRFZRLF-NEPJUHHUSA-N 2 2 290.433 -1.096 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000961896288 657013560 /nfs/dbraw/zinc/01/35/60/657013560.db2.gz STNLMYAELZDBIF-SRRSOLGSSA-N 2 2 289.339 -1.113 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000961896288 657013564 /nfs/dbraw/zinc/01/35/64/657013564.db2.gz STNLMYAELZDBIF-SRRSOLGSSA-N 2 2 289.339 -1.113 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016249152 657203971 /nfs/dbraw/zinc/20/39/71/657203971.db2.gz FZRLIJHLCAFBDN-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016249152 657203980 /nfs/dbraw/zinc/20/39/80/657203980.db2.gz FZRLIJHLCAFBDN-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016249152 657203992 /nfs/dbraw/zinc/20/39/92/657203992.db2.gz FZRLIJHLCAFBDN-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016249152 657204004 /nfs/dbraw/zinc/20/40/04/657204004.db2.gz FZRLIJHLCAFBDN-GHMZBOCLSA-N 2 2 268.361 -1.125 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257237 657205480 /nfs/dbraw/zinc/20/54/80/657205480.db2.gz VWVHGBVVNIZRDR-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257237 657205485 /nfs/dbraw/zinc/20/54/85/657205485.db2.gz VWVHGBVVNIZRDR-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016257237 657205490 /nfs/dbraw/zinc/20/54/90/657205490.db2.gz VWVHGBVVNIZRDR-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016257237 657205500 /nfs/dbraw/zinc/20/55/00/657205500.db2.gz VWVHGBVVNIZRDR-UWVGGRQHSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257241 657206666 /nfs/dbraw/zinc/20/66/66/657206666.db2.gz VWVHGBVVNIZRDR-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001016257241 657206673 /nfs/dbraw/zinc/20/66/73/657206673.db2.gz VWVHGBVVNIZRDR-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001016257241 657206676 /nfs/dbraw/zinc/20/66/76/657206676.db2.gz VWVHGBVVNIZRDR-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001016257241 657206681 /nfs/dbraw/zinc/20/66/81/657206681.db2.gz VWVHGBVVNIZRDR-ZJUUUORDSA-N 2 2 254.334 -1.386 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018666029 657240593 /nfs/dbraw/zinc/24/05/93/657240593.db2.gz YXWFGNAZWYXCGN-VHSXEESVSA-N 2 2 270.333 -2.007 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001018666029 657240604 /nfs/dbraw/zinc/24/06/04/657240604.db2.gz YXWFGNAZWYXCGN-VHSXEESVSA-N 2 2 270.333 -2.007 20 0 CAADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437428 657268550 /nfs/dbraw/zinc/26/85/50/657268550.db2.gz OTMGZNCUHYKODI-QMMMGPOBSA-N 2 2 251.290 -1.372 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019868431 657281641 /nfs/dbraw/zinc/28/16/41/657281641.db2.gz DCDATRKSPNJTHP-WDEREUQCSA-N 2 2 277.328 -1.038 20 0 CAADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019868430 657282209 /nfs/dbraw/zinc/28/22/09/657282209.db2.gz DCDATRKSPNJTHP-QWRGUYRKSA-N 2 2 277.328 -1.038 20 0 CAADLP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001276298552 782190533 /nfs/dbraw/zinc/19/05/33/782190533.db2.gz VOTBFKDEWLZPPW-UHFFFAOYSA-N 2 2 296.331 -1.415 20 0 CAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111277241 782199948 /nfs/dbraw/zinc/19/99/48/782199948.db2.gz HWHAVHNIYZWDSW-UTUOFQBUSA-N 2 2 298.387 -1.229 20 0 CAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111277241 782199953 /nfs/dbraw/zinc/19/99/53/782199953.db2.gz HWHAVHNIYZWDSW-UTUOFQBUSA-N 2 2 298.387 -1.229 20 0 CAADLP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758541 782345744 /nfs/dbraw/zinc/34/57/44/782345744.db2.gz KUKCEGFSUZRNFV-WCQYABFASA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758541 782345753 /nfs/dbraw/zinc/34/57/53/782345753.db2.gz KUKCEGFSUZRNFV-WCQYABFASA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758540 782345821 /nfs/dbraw/zinc/34/58/21/782345821.db2.gz KUKCEGFSUZRNFV-DGCLKSJQSA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758540 782345829 /nfs/dbraw/zinc/34/58/29/782345829.db2.gz KUKCEGFSUZRNFV-DGCLKSJQSA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758539 782345863 /nfs/dbraw/zinc/34/58/63/782345863.db2.gz KUKCEGFSUZRNFV-AAEUAGOBSA-N 2 2 283.372 -1.016 20 0 CAADLP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC001042758539 782345872 /nfs/dbraw/zinc/34/58/72/782345872.db2.gz KUKCEGFSUZRNFV-AAEUAGOBSA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221126 782434706 /nfs/dbraw/zinc/43/47/06/782434706.db2.gz XIJSLQSPJGWFTR-DGCLKSJQSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCO)C2)C1 ZINC001046221126 782434709 /nfs/dbraw/zinc/43/47/09/782434709.db2.gz XIJSLQSPJGWFTR-DGCLKSJQSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCO)C2)C1 ZINC001046221126 782434717 /nfs/dbraw/zinc/43/47/17/782434717.db2.gz XIJSLQSPJGWFTR-DGCLKSJQSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)C1 ZINC001046221126 782434722 /nfs/dbraw/zinc/43/47/22/782434722.db2.gz XIJSLQSPJGWFTR-DGCLKSJQSA-N 2 2 271.361 -1.110 20 0 CAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047324778 782460025 /nfs/dbraw/zinc/46/00/25/782460025.db2.gz YEPMAGKPWFZWNW-SRVKXCTJSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047324778 782460034 /nfs/dbraw/zinc/46/00/34/782460034.db2.gz YEPMAGKPWFZWNW-SRVKXCTJSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047324778 782460040 /nfs/dbraw/zinc/46/00/40/782460040.db2.gz YEPMAGKPWFZWNW-SRVKXCTJSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047324778 782460044 /nfs/dbraw/zinc/46/00/44/782460044.db2.gz YEPMAGKPWFZWNW-SRVKXCTJSA-N 2 2 271.361 -1.424 20 0 CAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047333911 782462518 /nfs/dbraw/zinc/46/25/18/782462518.db2.gz UPHOZIYNKFBPBB-SDDRHHMPSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047333911 782462520 /nfs/dbraw/zinc/46/25/20/782462520.db2.gz UPHOZIYNKFBPBB-SDDRHHMPSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047333911 782462523 /nfs/dbraw/zinc/46/25/23/782462523.db2.gz UPHOZIYNKFBPBB-SDDRHHMPSA-N 2 2 287.360 -2.187 20 0 CAADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047333911 782462525 /nfs/dbraw/zinc/46/25/25/782462525.db2.gz UPHOZIYNKFBPBB-SDDRHHMPSA-N 2 2 287.360 -2.187 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545340 782490862 /nfs/dbraw/zinc/49/08/62/782490862.db2.gz QZLRJKBYLTXWNI-DLOVCJGASA-N 2 2 282.344 -1.164 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545340 782490867 /nfs/dbraw/zinc/49/08/67/782490867.db2.gz QZLRJKBYLTXWNI-DLOVCJGASA-N 2 2 282.344 -1.164 20 0 CAADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047598178 782495957 /nfs/dbraw/zinc/49/59/57/782495957.db2.gz YVQIMXANWWYPBQ-STQMWFEESA-N 2 2 296.371 -1.152 20 0 CAADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047598178 782495964 /nfs/dbraw/zinc/49/59/64/782495964.db2.gz YVQIMXANWWYPBQ-STQMWFEESA-N 2 2 296.371 -1.152 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598197 782496209 /nfs/dbraw/zinc/49/62/09/782496209.db2.gz ZLSKUOBHBULWGC-WXHSDQCUSA-N 2 2 296.371 -1.153 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598197 782496213 /nfs/dbraw/zinc/49/62/13/782496213.db2.gz ZLSKUOBHBULWGC-WXHSDQCUSA-N 2 2 296.371 -1.153 20 0 CAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047647222 782502563 /nfs/dbraw/zinc/50/25/63/782502563.db2.gz RQKNMGREAJRFFI-RYUDHWBXSA-N 2 2 282.344 -1.231 20 0 CAADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047647222 782502557 /nfs/dbraw/zinc/50/25/57/782502557.db2.gz RQKNMGREAJRFFI-RYUDHWBXSA-N 2 2 282.344 -1.231 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739412 782516921 /nfs/dbraw/zinc/51/69/21/782516921.db2.gz JVACKEOQHYWHRQ-TUAOUCFPSA-N 2 2 296.371 -1.808 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739412 782516927 /nfs/dbraw/zinc/51/69/27/782516927.db2.gz JVACKEOQHYWHRQ-TUAOUCFPSA-N 2 2 296.371 -1.808 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739412 782516934 /nfs/dbraw/zinc/51/69/34/782516934.db2.gz JVACKEOQHYWHRQ-TUAOUCFPSA-N 2 2 296.371 -1.808 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001048739412 782516938 /nfs/dbraw/zinc/51/69/38/782516938.db2.gz JVACKEOQHYWHRQ-TUAOUCFPSA-N 2 2 296.371 -1.808 20 0 CAADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083862 782529236 /nfs/dbraw/zinc/52/92/36/782529236.db2.gz WXPFDMFFVCAKFJ-AOOOYVTPSA-N 2 2 277.328 -1.172 20 0 CAADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083862 782529246 /nfs/dbraw/zinc/52/92/46/782529246.db2.gz WXPFDMFFVCAKFJ-AOOOYVTPSA-N 2 2 277.328 -1.172 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049174556 782531967 /nfs/dbraw/zinc/53/19/67/782531967.db2.gz VMKJYCJVZGGWOD-PHIMTYICSA-N 2 2 291.355 -1.162 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049174556 782531974 /nfs/dbraw/zinc/53/19/74/782531974.db2.gz VMKJYCJVZGGWOD-PHIMTYICSA-N 2 2 291.355 -1.162 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCCO ZINC001133255308 776773853 /nfs/dbraw/zinc/77/38/53/776773853.db2.gz MNYKMUHDGOZLBY-LBPRGKRZSA-N 2 2 297.359 -1.455 20 0 CAADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCCO ZINC001133255308 776773860 /nfs/dbraw/zinc/77/38/60/776773860.db2.gz MNYKMUHDGOZLBY-LBPRGKRZSA-N 2 2 297.359 -1.455 20 0 CAADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2C[NH2+]C2)CC1 ZINC001120629587 779643400 /nfs/dbraw/zinc/64/34/00/779643400.db2.gz HKHPHNVNQSHXAB-UHFFFAOYSA-N 3 2 255.366 -1.072 20 0 CAADLP C[C@H](C(=O)NCC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC001123990889 779700775 /nfs/dbraw/zinc/70/07/75/779700775.db2.gz KIXUWYXGIKDMMZ-SNVBAGLBSA-N 2 2 256.350 -1.173 20 0 CAADLP COC(=O)C[C@H]1C[NH2+]CCN1S(=O)(=O)CC[NH3+] ZINC001239095294 780530605 /nfs/dbraw/zinc/53/06/05/780530605.db2.gz UYYLPLKLBVYPBW-QMMMGPOBSA-N 2 2 265.335 -1.888 20 0 CAADLP [NH3+]CCS(=O)(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001239160936 780534746 /nfs/dbraw/zinc/53/47/46/780534746.db2.gz IEYWDIRGUMEPGU-LLVKDONJSA-N 3 2 276.406 -1.228 20 0 CAADLP [NH3+]CCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438170 780535845 /nfs/dbraw/zinc/53/58/45/780535845.db2.gz CRUGQDBDTWMXNP-UHFFFAOYSA-N 3 2 274.438 -2.096 20 0 CAADLP COCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438003 780536361 /nfs/dbraw/zinc/53/63/61/780536361.db2.gz FMOFJKALSUVDTH-UHFFFAOYSA-N 2 2 289.449 -1.408 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246625011 780558601 /nfs/dbraw/zinc/55/86/01/780558601.db2.gz GTULAVBTZUYKBU-MNOVXSKESA-N 2 2 296.371 -1.556 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C[NH2+]1 ZINC001246616831 780559053 /nfs/dbraw/zinc/55/90/53/780559053.db2.gz FMBSQTOXSWZEHX-CYDGBPFRSA-N 3 2 282.388 -1.084 20 0 CAADLP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254318895 780602492 /nfs/dbraw/zinc/60/24/92/780602492.db2.gz ODWMPIRHOKFCRV-SFYZADRCSA-N 2 2 250.320 -1.489 20 0 CAADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001254504392 780605288 /nfs/dbraw/zinc/60/52/88/780605288.db2.gz AKYKJQYIBHLLAW-ZRFFIENRSA-N 2 2 290.360 -2.140 20 0 CAADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001254504392 780605290 /nfs/dbraw/zinc/60/52/90/780605290.db2.gz AKYKJQYIBHLLAW-ZRFFIENRSA-N 2 2 290.360 -2.140 20 0 CAADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001254504387 780605316 /nfs/dbraw/zinc/60/53/16/780605316.db2.gz AKYKJQYIBHLLAW-GRRRKWKPSA-N 2 2 290.360 -2.140 20 0 CAADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001254504387 780605317 /nfs/dbraw/zinc/60/53/17/780605317.db2.gz AKYKJQYIBHLLAW-GRRRKWKPSA-N 2 2 290.360 -2.140 20 0 CAADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001254504390 780605479 /nfs/dbraw/zinc/60/54/79/780605479.db2.gz AKYKJQYIBHLLAW-PCEBWVJKSA-N 2 2 290.360 -2.140 20 0 CAADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001254504390 780605483 /nfs/dbraw/zinc/60/54/83/780605483.db2.gz AKYKJQYIBHLLAW-PCEBWVJKSA-N 2 2 290.360 -2.140 20 0 CAADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001257226784 780628731 /nfs/dbraw/zinc/62/87/31/780628731.db2.gz KLKHETUORURJNN-NXEZZACHSA-N 2 2 263.363 -1.274 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221164483 780405232 /nfs/dbraw/zinc/40/52/32/780405232.db2.gz HVDLMKQXZPUBFD-NEPJUHHUSA-N 2 2 298.343 -1.947 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001221164483 780405239 /nfs/dbraw/zinc/40/52/39/780405239.db2.gz HVDLMKQXZPUBFD-NEPJUHHUSA-N 2 2 298.343 -1.947 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221190518 780405580 /nfs/dbraw/zinc/40/55/80/780405580.db2.gz QLTXCNCGKSAPOQ-VGMNWLOBSA-N 3 2 258.322 -1.928 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221188615 780405979 /nfs/dbraw/zinc/40/59/79/780405979.db2.gz ZFJZZQIRTINAKB-ZJUUUORDSA-N 3 2 283.332 -1.324 20 0 CAADLP O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221269164 780412792 /nfs/dbraw/zinc/41/27/92/780412792.db2.gz IUVDFHZQDRSFIN-XWLWVQCSSA-N 2 2 266.345 -1.279 20 0 CAADLP [NH3+]C1(C(=O)N[C@@H]2CCCNC(=O)C2)CC[NH2+]CC1 ZINC001221269189 780413032 /nfs/dbraw/zinc/41/30/32/780413032.db2.gz JQTRWBHFIXTBBG-SECBINFHSA-N 2 2 254.334 -1.148 20 0 CAADLP CCOC(=O)[C@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238839865 780525352 /nfs/dbraw/zinc/52/53/52/780525352.db2.gz LVHMZHPLZAYEMW-SNVBAGLBSA-N 2 2 293.389 -1.204 20 0 CAADLP CCOC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCO1 ZINC001160596491 781455024 /nfs/dbraw/zinc/45/50/24/781455024.db2.gz QACOKQMZLUZBGM-LPEHRKFASA-N 2 2 271.317 -1.676 20 0 CAADLP C[C@@H](NC(=O)CNCC[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC001263099702 780719310 /nfs/dbraw/zinc/71/93/10/780719310.db2.gz RGGCGLDVKJGVBP-GHMZBOCLSA-N 2 2 258.366 -1.240 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001279830757 780777618 /nfs/dbraw/zinc/77/76/18/780777618.db2.gz MMMLCNAVKJFZSS-VXGBXAGGSA-N 2 2 296.371 -1.074 20 0 CAADLP C[C@H](O)C[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001279838259 780778136 /nfs/dbraw/zinc/77/81/36/780778136.db2.gz JHNIJZBWVUCBDU-JTQLQIEISA-N 2 2 270.333 -1.257 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160596864 781454459 /nfs/dbraw/zinc/45/44/59/781454459.db2.gz VWIWVACFRABDQE-WDMOLILDSA-N 2 2 297.355 -1.272 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007547 782593493 /nfs/dbraw/zinc/59/34/93/782593493.db2.gz GVBUFKBAORGORN-NEPJUHHUSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007547 782593502 /nfs/dbraw/zinc/59/35/02/782593502.db2.gz GVBUFKBAORGORN-NEPJUHHUSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007550 782593627 /nfs/dbraw/zinc/59/36/27/782593627.db2.gz GVBUFKBAORGORN-VXGBXAGGSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001054007550 782593635 /nfs/dbraw/zinc/59/36/35/782593635.db2.gz GVBUFKBAORGORN-VXGBXAGGSA-N 2 2 283.372 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072577902 782777923 /nfs/dbraw/zinc/77/79/23/782777923.db2.gz DSNGTSHOXKBDAO-NSHDSACASA-N 2 2 296.371 -1.663 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001072577902 782777930 /nfs/dbraw/zinc/77/79/30/782777930.db2.gz DSNGTSHOXKBDAO-NSHDSACASA-N 2 2 296.371 -1.663 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001072577902 782777937 /nfs/dbraw/zinc/77/79/37/782777937.db2.gz DSNGTSHOXKBDAO-NSHDSACASA-N 2 2 296.371 -1.663 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001072577902 782777944 /nfs/dbraw/zinc/77/79/44/782777944.db2.gz DSNGTSHOXKBDAO-NSHDSACASA-N 2 2 296.371 -1.663 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554150 782791628 /nfs/dbraw/zinc/79/16/28/782791628.db2.gz CVOVXRPATJTRPD-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554150 782791630 /nfs/dbraw/zinc/79/16/30/782791630.db2.gz CVOVXRPATJTRPD-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073554150 782791634 /nfs/dbraw/zinc/79/16/34/782791634.db2.gz CVOVXRPATJTRPD-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073554150 782791637 /nfs/dbraw/zinc/79/16/37/782791637.db2.gz CVOVXRPATJTRPD-RYUDHWBXSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554151 782792840 /nfs/dbraw/zinc/79/28/40/782792840.db2.gz CVOVXRPATJTRPD-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(N)=O)CCCO1 ZINC001073554151 782792844 /nfs/dbraw/zinc/79/28/44/782792844.db2.gz CVOVXRPATJTRPD-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073554151 782792845 /nfs/dbraw/zinc/79/28/45/782792845.db2.gz CVOVXRPATJTRPD-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073554151 782792850 /nfs/dbraw/zinc/79/28/50/782792850.db2.gz CVOVXRPATJTRPD-VXGBXAGGSA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890229 782800110 /nfs/dbraw/zinc/80/01/10/782800110.db2.gz ACQMQCZUBBKOIF-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890229 782800120 /nfs/dbraw/zinc/80/01/20/782800120.db2.gz ACQMQCZUBBKOIF-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073890229 782800122 /nfs/dbraw/zinc/80/01/22/782800122.db2.gz ACQMQCZUBBKOIF-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073890229 782800128 /nfs/dbraw/zinc/80/01/28/782800128.db2.gz ACQMQCZUBBKOIF-NWDGAFQWSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890230 782800413 /nfs/dbraw/zinc/80/04/13/782800413.db2.gz ACQMQCZUBBKOIF-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CC(N)=O)CCCO2)C1 ZINC001073890230 782800416 /nfs/dbraw/zinc/80/04/16/782800416.db2.gz ACQMQCZUBBKOIF-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)C1 ZINC001073890230 782800418 /nfs/dbraw/zinc/80/04/18/782800418.db2.gz ACQMQCZUBBKOIF-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)C1 ZINC001073890230 782800420 /nfs/dbraw/zinc/80/04/20/782800420.db2.gz ACQMQCZUBBKOIF-RYUDHWBXSA-N 2 2 298.387 -1.370 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099810237 782838162 /nfs/dbraw/zinc/83/81/62/782838162.db2.gz PWFOYXMPBLFJKO-MNOVXSKESA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099810237 782838168 /nfs/dbraw/zinc/83/81/68/782838168.db2.gz PWFOYXMPBLFJKO-MNOVXSKESA-N 2 2 282.344 -1.114 20 0 CAADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880124 782841594 /nfs/dbraw/zinc/84/15/94/782841594.db2.gz VQGLXICPMHNGHI-NEPJUHHUSA-N 2 2 298.387 -1.493 20 0 CAADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880124 782841599 /nfs/dbraw/zinc/84/15/99/782841599.db2.gz VQGLXICPMHNGHI-NEPJUHHUSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880124 782841601 /nfs/dbraw/zinc/84/16/01/782841601.db2.gz VQGLXICPMHNGHI-NEPJUHHUSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880124 782841606 /nfs/dbraw/zinc/84/16/06/782841606.db2.gz VQGLXICPMHNGHI-NEPJUHHUSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099871689 782842156 /nfs/dbraw/zinc/84/21/56/782842156.db2.gz JGUYKBCHXSGAGO-MNOVXSKESA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCC1 ZINC001099871689 782842161 /nfs/dbraw/zinc/84/21/61/782842161.db2.gz JGUYKBCHXSGAGO-MNOVXSKESA-N 2 2 298.387 -1.493 20 0 CAADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880127 782842329 /nfs/dbraw/zinc/84/23/29/782842329.db2.gz VQGLXICPMHNGHI-VXGBXAGGSA-N 2 2 298.387 -1.493 20 0 CAADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880127 782842332 /nfs/dbraw/zinc/84/23/32/782842332.db2.gz VQGLXICPMHNGHI-VXGBXAGGSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880127 782842338 /nfs/dbraw/zinc/84/23/38/782842338.db2.gz VQGLXICPMHNGHI-VXGBXAGGSA-N 2 2 298.387 -1.493 20 0 CAADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880127 782842344 /nfs/dbraw/zinc/84/23/44/782842344.db2.gz VQGLXICPMHNGHI-VXGBXAGGSA-N 2 2 298.387 -1.493 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986637 782847316 /nfs/dbraw/zinc/84/73/16/782847316.db2.gz NGCINLRSKNUFMT-MNOVXSKESA-N 2 2 286.376 -1.765 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986637 782847322 /nfs/dbraw/zinc/84/73/22/782847322.db2.gz NGCINLRSKNUFMT-MNOVXSKESA-N 2 2 286.376 -1.765 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986636 782846932 /nfs/dbraw/zinc/84/69/32/782846932.db2.gz NGCINLRSKNUFMT-GHMZBOCLSA-N 2 2 286.376 -1.765 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986636 782846936 /nfs/dbraw/zinc/84/69/36/782846936.db2.gz NGCINLRSKNUFMT-GHMZBOCLSA-N 2 2 286.376 -1.765 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986638 782847056 /nfs/dbraw/zinc/84/70/56/782847056.db2.gz NGCINLRSKNUFMT-QWRGUYRKSA-N 2 2 286.376 -1.765 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986638 782847059 /nfs/dbraw/zinc/84/70/59/782847059.db2.gz NGCINLRSKNUFMT-QWRGUYRKSA-N 2 2 286.376 -1.765 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100048521 782848922 /nfs/dbraw/zinc/84/89/22/782848922.db2.gz MXVFEHVNYRQDFA-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100048521 782848928 /nfs/dbraw/zinc/84/89/28/782848928.db2.gz MXVFEHVNYRQDFA-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100094539 782850151 /nfs/dbraw/zinc/85/01/51/782850151.db2.gz OEZAOQBFXGAAED-QWHCGFSZSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100094539 782850158 /nfs/dbraw/zinc/85/01/58/782850158.db2.gz OEZAOQBFXGAAED-QWHCGFSZSA-N 2 2 296.371 -1.104 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100064870 782850501 /nfs/dbraw/zinc/85/05/01/782850501.db2.gz SPSBBJSIDKRQLF-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@@H]1O ZINC001100064870 782850511 /nfs/dbraw/zinc/85/05/11/782850511.db2.gz SPSBBJSIDKRQLF-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001100064870 782850519 /nfs/dbraw/zinc/85/05/19/782850519.db2.gz SPSBBJSIDKRQLF-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001100064870 782850526 /nfs/dbraw/zinc/85/05/26/782850526.db2.gz SPSBBJSIDKRQLF-MNOVXSKESA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100082943 782851382 /nfs/dbraw/zinc/85/13/82/782851382.db2.gz KPJSEQMPRQNKRP-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100082943 782851385 /nfs/dbraw/zinc/85/13/85/782851385.db2.gz KPJSEQMPRQNKRP-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100082943 782851391 /nfs/dbraw/zinc/85/13/91/782851391.db2.gz KPJSEQMPRQNKRP-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100082943 782851395 /nfs/dbraw/zinc/85/13/95/782851395.db2.gz KPJSEQMPRQNKRP-WDEREUQCSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100082940 782851567 /nfs/dbraw/zinc/85/15/67/782851567.db2.gz KPJSEQMPRQNKRP-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C[C@H]1O ZINC001100082940 782851574 /nfs/dbraw/zinc/85/15/74/782851574.db2.gz KPJSEQMPRQNKRP-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001100082940 782851584 /nfs/dbraw/zinc/85/15/84/782851584.db2.gz KPJSEQMPRQNKRP-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001100082940 782851593 /nfs/dbraw/zinc/85/15/93/782851593.db2.gz KPJSEQMPRQNKRP-GHMZBOCLSA-N 2 2 286.376 -1.635 20 0 CAADLP NC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706568 782862378 /nfs/dbraw/zinc/86/23/78/782862378.db2.gz NINLYNXTFNHWEL-UHFFFAOYSA-N 2 2 265.317 -1.078 20 0 CAADLP NC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071408 782864318 /nfs/dbraw/zinc/86/43/18/782864318.db2.gz GZPYFCRPKIRVAZ-UHFFFAOYSA-N 2 2 265.317 -1.147 20 0 CAADLP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342249 782881905 /nfs/dbraw/zinc/88/19/05/782881905.db2.gz UATUDFAISUJJNP-CIQGVGRVSA-N 2 2 294.355 -1.063 20 0 CAADLP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342249 782881911 /nfs/dbraw/zinc/88/19/11/782881911.db2.gz UATUDFAISUJJNP-CIQGVGRVSA-N 2 2 294.355 -1.063 20 0 CAADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc[nH+]1 ZINC001167089839 775115530 /nfs/dbraw/zinc/11/55/30/775115530.db2.gz PLKCDXDNEKRACA-LPEHRKFASA-N 2 2 292.343 -1.561 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167355583 775146613 /nfs/dbraw/zinc/14/66/13/775146613.db2.gz QHYCDVYJYUUFAH-SNVBAGLBSA-N 2 2 265.317 -1.063 20 0 CAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083206836 775146735 /nfs/dbraw/zinc/14/67/35/775146735.db2.gz VOZPFPQMRQCECD-NWDGAFQWSA-N 2 2 280.328 -1.144 20 0 CAADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083206836 775146740 /nfs/dbraw/zinc/14/67/40/775146740.db2.gz VOZPFPQMRQCECD-NWDGAFQWSA-N 2 2 280.328 -1.144 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355361 775146795 /nfs/dbraw/zinc/14/67/95/775146795.db2.gz DATDPIXVNMLYST-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001167355425 775146856 /nfs/dbraw/zinc/14/68/56/775146856.db2.gz GYDDKRIQUQZSCC-SNVBAGLBSA-N 2 2 293.327 -1.147 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC(N)=O ZINC001167349833 775146894 /nfs/dbraw/zinc/14/68/94/775146894.db2.gz IDNOMXODQSIDTE-MRVPVSSYSA-N 2 2 296.331 -1.369 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350535 775146957 /nfs/dbraw/zinc/14/69/57/775146957.db2.gz ZBSRZPYVYSRYAH-UHFFFAOYSA-N 2 2 282.304 -1.757 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001167355424 775146999 /nfs/dbraw/zinc/14/69/99/775146999.db2.gz GYDDKRIQUQZSCC-JTQLQIEISA-N 2 2 293.327 -1.147 20 0 CAADLP CN(CC[NH2+]CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001266720472 775167276 /nfs/dbraw/zinc/16/72/76/775167276.db2.gz LDDDONWCJSINCQ-UHFFFAOYSA-N 2 2 253.306 -1.124 20 0 CAADLP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161371950 775180570 /nfs/dbraw/zinc/18/05/70/775180570.db2.gz HQQCSRXQQRETNV-KZWBYHQPSA-N 2 2 297.355 -1.273 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376660 775188942 /nfs/dbraw/zinc/18/89/42/775188942.db2.gz CCMLFEPEUFZRPK-STQMWFEESA-N 3 2 298.387 -1.099 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038143361 775229064 /nfs/dbraw/zinc/22/90/64/775229064.db2.gz SVVDGOKMTRMLLF-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001038143361 775229075 /nfs/dbraw/zinc/22/90/75/775229075.db2.gz SVVDGOKMTRMLLF-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001038143361 775229085 /nfs/dbraw/zinc/22/90/85/775229085.db2.gz SVVDGOKMTRMLLF-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001038143361 775229092 /nfs/dbraw/zinc/22/90/92/775229092.db2.gz SVVDGOKMTRMLLF-NEPJUHHUSA-N 2 2 271.361 -1.110 20 0 CAADLP C[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001267479401 775249912 /nfs/dbraw/zinc/24/99/12/775249912.db2.gz UCZBJXAHQQCWIJ-SECBINFHSA-N 2 2 253.306 -1.195 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001149134889 775259274 /nfs/dbraw/zinc/25/92/74/775259274.db2.gz NUYAFXRKLUOTQI-MRVPVSSYSA-N 2 2 296.331 -1.450 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038144914 775277877 /nfs/dbraw/zinc/27/78/77/775277877.db2.gz ZPMFKLOWJNSYDT-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038144914 775277881 /nfs/dbraw/zinc/27/78/81/775277881.db2.gz ZPMFKLOWJNSYDT-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001038144914 775277884 /nfs/dbraw/zinc/27/78/84/775277884.db2.gz ZPMFKLOWJNSYDT-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001038144914 775277888 /nfs/dbraw/zinc/27/78/88/775277888.db2.gz ZPMFKLOWJNSYDT-GHMZBOCLSA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038144919 775278483 /nfs/dbraw/zinc/27/84/83/775278483.db2.gz ZPMFKLOWJNSYDT-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038144919 775278490 /nfs/dbraw/zinc/27/84/90/775278490.db2.gz ZPMFKLOWJNSYDT-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001038144919 775278498 /nfs/dbraw/zinc/27/84/98/775278498.db2.gz ZPMFKLOWJNSYDT-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001038144919 775278504 /nfs/dbraw/zinc/27/85/04/775278504.db2.gz ZPMFKLOWJNSYDT-MNOVXSKESA-N 2 2 257.334 -1.500 20 0 CAADLP C[NH+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001267690537 775285134 /nfs/dbraw/zinc/28/51/34/775285134.db2.gz DHWBVGNZPWYLPD-LLVKDONJSA-N 2 2 268.361 -1.125 20 0 CAADLP [NH3+]C1(C(=O)N[C@H]2COCCC23OCCO3)CC[NH2+]CC1 ZINC001220172962 775293534 /nfs/dbraw/zinc/29/35/34/775293534.db2.gz FXTHTAFVXIALSQ-JTQLQIEISA-N 2 2 285.344 -1.285 20 0 CAADLP CC(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159161 775293632 /nfs/dbraw/zinc/29/36/32/775293632.db2.gz NCOIUOXDDAZKHE-ZDUSSCGKSA-N 3 2 283.420 -1.054 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]2(N)CCC[NH2+]C2)C[NH2+]1 ZINC001219965011 775293943 /nfs/dbraw/zinc/29/39/43/775293943.db2.gz ADTSUGCZPULNNM-PTRXPTGYSA-N 2 2 270.333 -1.913 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@]2(N)CCC[NH2+]C2)C[NH2+]1 ZINC001219965014 775294002 /nfs/dbraw/zinc/29/40/02/775294002.db2.gz ADTSUGCZPULNNM-VDDIYKPWSA-N 2 2 270.333 -1.913 20 0 CAADLP CCn1nnc2c1[C@@H](C(=O)NCC[NH2+]C)C[NH2+]C2 ZINC001220051230 775294113 /nfs/dbraw/zinc/29/41/13/775294113.db2.gz PIKINJSBQGBBBB-QMMMGPOBSA-N 2 2 252.322 -1.180 20 0 CAADLP O=C(N[C@H]1COCC[C@@H]1O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220181194 775294397 /nfs/dbraw/zinc/29/43/97/775294397.db2.gz DNHLVUXAGLPONF-QFOLPQNPSA-N 2 2 255.318 -1.796 20 0 CAADLP CCOC(=O)CC1(NC(=O)C2([NH3+])CC[NH2+]CC2)COC1 ZINC001220214530 775294833 /nfs/dbraw/zinc/29/48/33/775294833.db2.gz BLZCCHBDKFXRRE-UHFFFAOYSA-N 2 2 285.344 -1.094 20 0 CAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1c[nH]nn1 ZINC001220329608 775297222 /nfs/dbraw/zinc/29/72/22/775297222.db2.gz UUZCFWACQNZWQS-SNVBAGLBSA-N 2 2 267.337 -1.829 20 0 CAADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001161476430 775298605 /nfs/dbraw/zinc/29/86/05/775298605.db2.gz AQEIQNUWZZABFF-KZWBYHQPSA-N 3 2 296.371 -1.713 20 0 CAADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001161476429 775300127 /nfs/dbraw/zinc/30/01/27/775300127.db2.gz AQEIQNUWZZABFF-DYNIEEOBSA-N 3 2 296.371 -1.713 20 0 CAADLP Cc1nnc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[nH]1 ZINC001221410712 775300983 /nfs/dbraw/zinc/30/09/83/775300983.db2.gz YOPPRJYBBRJRAO-LDYMZIIASA-N 2 2 250.306 -1.319 20 0 CAADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC(N)=O ZINC001268009598 775330519 /nfs/dbraw/zinc/33/05/19/775330519.db2.gz JCNCOHOFAABNOK-SECBINFHSA-N 2 2 267.333 -1.210 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC(N)=O ZINC001268009599 775331134 /nfs/dbraw/zinc/33/11/34/775331134.db2.gz JCNCOHOFAABNOK-VIFPVBQESA-N 2 2 267.333 -1.210 20 0 CAADLP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC12COC2 ZINC001161508195 775349894 /nfs/dbraw/zinc/34/98/94/775349894.db2.gz BZSVJPLRLRYJMU-OPQQBVKSSA-N 3 2 266.345 -1.876 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001268308178 775396735 /nfs/dbraw/zinc/39/67/35/775396735.db2.gz YGNAHPMJEGVKKU-SECBINFHSA-N 2 2 269.305 -2.106 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001268308178 775396742 /nfs/dbraw/zinc/39/67/42/775396742.db2.gz YGNAHPMJEGVKKU-SECBINFHSA-N 2 2 269.305 -2.106 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001268314857 775400050 /nfs/dbraw/zinc/40/00/50/775400050.db2.gz MCNRDBSYEOADDE-RYUDHWBXSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C(NC[C@@H](O)C[NH2+]CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268316774 775401387 /nfs/dbraw/zinc/40/13/87/775401387.db2.gz VOYNYUGLUATILE-PWSUYJOCSA-N 2 2 282.344 -1.496 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+]CCO ZINC001268331292 775404744 /nfs/dbraw/zinc/40/47/44/775404744.db2.gz HQBWGAGNGNSAAG-LLVKDONJSA-N 2 2 270.333 -1.588 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001268331294 775404833 /nfs/dbraw/zinc/40/48/33/775404833.db2.gz HQBWGAGNGNSAAG-NSHDSACASA-N 2 2 270.333 -1.588 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001268325551 775405065 /nfs/dbraw/zinc/40/50/65/775405065.db2.gz FSCJAMORSHDOJY-SNVBAGLBSA-N 2 2 293.331 -1.689 20 0 CAADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001268339820 775408491 /nfs/dbraw/zinc/40/84/91/775408491.db2.gz WPSLPUATHQYAHM-LLVKDONJSA-N 2 2 293.331 -1.759 20 0 CAADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268410349 775413166 /nfs/dbraw/zinc/41/31/66/775413166.db2.gz BJENRWCJLCZFHT-QMMMGPOBSA-N 2 2 253.306 -1.078 20 0 CAADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001268446219 775414132 /nfs/dbraw/zinc/41/41/32/775414132.db2.gz VAGRYWAVEFKLOU-LLVKDONJSA-N 2 2 259.350 -1.254 20 0 CAADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161239450 775416578 /nfs/dbraw/zinc/41/65/78/775416578.db2.gz LTOSQSBMTNEXLM-YUSALJHKSA-N 3 2 256.325 -1.163 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001075643643 775425052 /nfs/dbraw/zinc/42/50/52/775425052.db2.gz GJESPICCRWEUFG-YNEHKIRRSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001075643643 775425061 /nfs/dbraw/zinc/42/50/61/775425061.db2.gz GJESPICCRWEUFG-YNEHKIRRSA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001075643643 775425068 /nfs/dbraw/zinc/42/50/68/775425068.db2.gz GJESPICCRWEUFG-YNEHKIRRSA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001075643643 775425074 /nfs/dbraw/zinc/42/50/74/775425074.db2.gz GJESPICCRWEUFG-YNEHKIRRSA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083372819 775452373 /nfs/dbraw/zinc/45/23/73/775452373.db2.gz GHNDHFUJETVPLZ-MXWKQRLJSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001083372819 775452377 /nfs/dbraw/zinc/45/23/77/775452377.db2.gz GHNDHFUJETVPLZ-MXWKQRLJSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083372819 775452379 /nfs/dbraw/zinc/45/23/79/775452379.db2.gz GHNDHFUJETVPLZ-MXWKQRLJSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083372819 775452383 /nfs/dbraw/zinc/45/23/83/775452383.db2.gz GHNDHFUJETVPLZ-MXWKQRLJSA-N 2 2 257.334 -1.766 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373025 775452715 /nfs/dbraw/zinc/45/27/15/775452715.db2.gz ONFAPMSIOGQQLK-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373025 775452702 /nfs/dbraw/zinc/45/27/02/775452702.db2.gz ONFAPMSIOGQQLK-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373025 775452707 /nfs/dbraw/zinc/45/27/07/775452707.db2.gz ONFAPMSIOGQQLK-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373025 775452710 /nfs/dbraw/zinc/45/27/10/775452710.db2.gz ONFAPMSIOGQQLK-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083372956 775453088 /nfs/dbraw/zinc/45/30/88/775453088.db2.gz MHSRHEQNXTVSGU-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083372956 775453092 /nfs/dbraw/zinc/45/30/92/775453092.db2.gz MHSRHEQNXTVSGU-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083372956 775453101 /nfs/dbraw/zinc/45/31/01/775453101.db2.gz MHSRHEQNXTVSGU-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083372956 775453104 /nfs/dbraw/zinc/45/31/04/775453104.db2.gz MHSRHEQNXTVSGU-WOPDTQHZSA-N 2 2 271.361 -1.376 20 0 CAADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385263 775454881 /nfs/dbraw/zinc/45/48/81/775454881.db2.gz IXDMPFXXLOFDBF-WOPDTQHZSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385263 775454889 /nfs/dbraw/zinc/45/48/89/775454889.db2.gz IXDMPFXXLOFDBF-WOPDTQHZSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385263 775454896 /nfs/dbraw/zinc/45/48/96/775454896.db2.gz IXDMPFXXLOFDBF-WOPDTQHZSA-N 2 2 271.361 -1.113 20 0 CAADLP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385263 775454903 /nfs/dbraw/zinc/45/49/03/775454903.db2.gz IXDMPFXXLOFDBF-WOPDTQHZSA-N 2 2 271.361 -1.113 20 0 CAADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385446 775455788 /nfs/dbraw/zinc/45/57/88/775455788.db2.gz OFJBQAIBOHPKPL-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385446 775455791 /nfs/dbraw/zinc/45/57/91/775455791.db2.gz OFJBQAIBOHPKPL-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385446 775455796 /nfs/dbraw/zinc/45/57/96/775455796.db2.gz OFJBQAIBOHPKPL-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385446 775455802 /nfs/dbraw/zinc/45/58/02/775455802.db2.gz OFJBQAIBOHPKPL-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083385558 775458447 /nfs/dbraw/zinc/45/84/47/775458447.db2.gz RMBFALQMJWFMTK-OUAUKWLOSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083385558 775458451 /nfs/dbraw/zinc/45/84/51/775458451.db2.gz RMBFALQMJWFMTK-OUAUKWLOSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083385558 775458458 /nfs/dbraw/zinc/45/84/58/775458458.db2.gz RMBFALQMJWFMTK-OUAUKWLOSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083385558 775458469 /nfs/dbraw/zinc/45/84/69/775458469.db2.gz RMBFALQMJWFMTK-OUAUKWLOSA-N 2 2 273.333 -2.529 20 0 CAADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268668771 775464433 /nfs/dbraw/zinc/46/44/33/775464433.db2.gz BPCPWOJOGNGIPJ-SECBINFHSA-N 2 2 267.333 -1.197 20 0 CAADLP CN(CC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2)C(N)=[NH2+] ZINC001268997090 775483075 /nfs/dbraw/zinc/48/30/75/775483075.db2.gz USZDHJIFGFSIQK-UHFFFAOYSA-N 2 2 291.359 -1.121 20 0 CAADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269094865 775489590 /nfs/dbraw/zinc/48/95/90/775489590.db2.gz LZVUTOHEIARULF-RYUDHWBXSA-N 2 2 271.361 -1.422 20 0 CAADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+](CCO)CCO ZINC001269094865 775489595 /nfs/dbraw/zinc/48/95/95/775489595.db2.gz LZVUTOHEIARULF-RYUDHWBXSA-N 2 2 271.361 -1.422 20 0 CAADLP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436759 775519333 /nfs/dbraw/zinc/51/93/33/775519333.db2.gz KRQUGWKUTINICZ-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001126436767 775519583 /nfs/dbraw/zinc/51/95/83/775519583.db2.gz LDYXAJXHRRUREN-SECBINFHSA-N 2 2 293.327 -1.147 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001271191412 775592001 /nfs/dbraw/zinc/59/20/01/775592001.db2.gz DWEORJMNYNBUIN-LBPRGKRZSA-N 2 2 268.317 -1.503 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCO ZINC001088506590 775641816 /nfs/dbraw/zinc/64/18/16/775641816.db2.gz BOVMAXWUVRSVHN-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCO ZINC001088506590 775641825 /nfs/dbraw/zinc/64/18/25/775641825.db2.gz BOVMAXWUVRSVHN-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCO ZINC001088506590 775641830 /nfs/dbraw/zinc/64/18/30/775641830.db2.gz BOVMAXWUVRSVHN-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCO ZINC001088506590 775641839 /nfs/dbraw/zinc/64/18/39/775641839.db2.gz BOVMAXWUVRSVHN-WOPDTQHZSA-N 2 2 271.361 -1.112 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076805405 775758170 /nfs/dbraw/zinc/75/81/70/775758170.db2.gz GHNDHFUJETVPLZ-GMTAPVOTSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001076805405 775758174 /nfs/dbraw/zinc/75/81/74/775758174.db2.gz GHNDHFUJETVPLZ-GMTAPVOTSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001076805405 775758177 /nfs/dbraw/zinc/75/81/77/775758177.db2.gz GHNDHFUJETVPLZ-GMTAPVOTSA-N 2 2 257.334 -1.766 20 0 CAADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001076805405 775758180 /nfs/dbraw/zinc/75/81/80/775758180.db2.gz GHNDHFUJETVPLZ-GMTAPVOTSA-N 2 2 257.334 -1.766 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076805557 775758211 /nfs/dbraw/zinc/75/82/11/775758211.db2.gz MHSRHEQNXTVSGU-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001076805557 775758215 /nfs/dbraw/zinc/75/82/15/775758215.db2.gz MHSRHEQNXTVSGU-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001076805557 775758219 /nfs/dbraw/zinc/75/82/19/775758219.db2.gz MHSRHEQNXTVSGU-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001076805557 775758222 /nfs/dbraw/zinc/75/82/22/775758222.db2.gz MHSRHEQNXTVSGU-GRYCIOLGSA-N 2 2 271.361 -1.376 20 0 CAADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838842 775763626 /nfs/dbraw/zinc/76/36/26/775763626.db2.gz OFJBQAIBOHPKPL-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838842 775763633 /nfs/dbraw/zinc/76/36/33/775763633.db2.gz OFJBQAIBOHPKPL-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838842 775763643 /nfs/dbraw/zinc/76/36/43/775763643.db2.gz OFJBQAIBOHPKPL-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838842 775763653 /nfs/dbraw/zinc/76/36/53/775763653.db2.gz OFJBQAIBOHPKPL-UTUOFQBUSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838792 775763710 /nfs/dbraw/zinc/76/37/10/775763710.db2.gz MRGSXZSYFAFJBV-MXWKQRLJSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838792 775763722 /nfs/dbraw/zinc/76/37/22/775763722.db2.gz MRGSXZSYFAFJBV-MXWKQRLJSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838792 775763733 /nfs/dbraw/zinc/76/37/33/775763733.db2.gz MRGSXZSYFAFJBV-MXWKQRLJSA-N 2 2 257.334 -1.502 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838792 775763745 /nfs/dbraw/zinc/76/37/45/775763745.db2.gz MRGSXZSYFAFJBV-MXWKQRLJSA-N 2 2 257.334 -1.502 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001076838904 775764487 /nfs/dbraw/zinc/76/44/87/775764487.db2.gz RMBFALQMJWFMTK-MXWKQRLJSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001076838904 775764493 /nfs/dbraw/zinc/76/44/93/775764493.db2.gz RMBFALQMJWFMTK-MXWKQRLJSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001076838904 775764499 /nfs/dbraw/zinc/76/44/99/775764499.db2.gz RMBFALQMJWFMTK-MXWKQRLJSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001076838904 775764505 /nfs/dbraw/zinc/76/45/05/775764505.db2.gz RMBFALQMJWFMTK-MXWKQRLJSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001076835942 775764766 /nfs/dbraw/zinc/76/47/66/775764766.db2.gz RFJLKINJUQSCSV-IJLUTSLNSA-N 2 2 289.351 -1.162 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCF)C[C@H]2O)C1 ZINC001076835942 775764775 /nfs/dbraw/zinc/76/47/75/775764775.db2.gz RFJLKINJUQSCSV-IJLUTSLNSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)C1 ZINC001076835942 775764784 /nfs/dbraw/zinc/76/47/84/775764784.db2.gz RFJLKINJUQSCSV-IJLUTSLNSA-N 2 2 289.351 -1.162 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)C1 ZINC001076835942 775764794 /nfs/dbraw/zinc/76/47/94/775764794.db2.gz RFJLKINJUQSCSV-IJLUTSLNSA-N 2 2 289.351 -1.162 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001076838903 775764956 /nfs/dbraw/zinc/76/49/56/775764956.db2.gz RMBFALQMJWFMTK-GMTAPVOTSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001076838903 775764968 /nfs/dbraw/zinc/76/49/68/775764968.db2.gz RMBFALQMJWFMTK-GMTAPVOTSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001076838903 775764978 /nfs/dbraw/zinc/76/49/78/775764978.db2.gz RMBFALQMJWFMTK-GMTAPVOTSA-N 2 2 273.333 -2.529 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001076838903 775764989 /nfs/dbraw/zinc/76/49/89/775764989.db2.gz RMBFALQMJWFMTK-GMTAPVOTSA-N 2 2 273.333 -2.529 20 0 CAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001076839038 775765512 /nfs/dbraw/zinc/76/55/12/775765512.db2.gz YKMCXKOUBDVIGB-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001076839038 775765523 /nfs/dbraw/zinc/76/55/23/775765523.db2.gz YKMCXKOUBDVIGB-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001076839038 775765533 /nfs/dbraw/zinc/76/55/33/775765533.db2.gz YKMCXKOUBDVIGB-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001076839038 775765543 /nfs/dbraw/zinc/76/55/43/775765543.db2.gz YKMCXKOUBDVIGB-IJLUTSLNSA-N 2 2 287.360 -2.139 20 0 CAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)O1 ZINC001077221176 775806439 /nfs/dbraw/zinc/80/64/39/775806439.db2.gz FNNRQLVXHAFNIH-DDHJBXDOSA-N 2 2 287.360 -2.141 20 0 CAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)O1 ZINC001077221176 775806450 /nfs/dbraw/zinc/80/64/50/775806450.db2.gz FNNRQLVXHAFNIH-DDHJBXDOSA-N 2 2 287.360 -2.141 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)O1 ZINC001077221176 775806463 /nfs/dbraw/zinc/80/64/63/775806463.db2.gz FNNRQLVXHAFNIH-DDHJBXDOSA-N 2 2 287.360 -2.141 20 0 CAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)O1 ZINC001077221176 775806475 /nfs/dbraw/zinc/80/64/75/775806475.db2.gz FNNRQLVXHAFNIH-DDHJBXDOSA-N 2 2 287.360 -2.141 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260613 775808932 /nfs/dbraw/zinc/80/89/32/775808932.db2.gz NRJWYMNRLWPEBP-RAIGVLPGSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077260613 775808942 /nfs/dbraw/zinc/80/89/42/775808942.db2.gz NRJWYMNRLWPEBP-RAIGVLPGSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251867 775809040 /nfs/dbraw/zinc/80/90/40/775809040.db2.gz SPBGUVFSLJSSPY-RAIGVLPGSA-N 2 2 294.355 -1.401 20 0 CAADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077251867 775809051 /nfs/dbraw/zinc/80/90/51/775809051.db2.gz SPBGUVFSLJSSPY-RAIGVLPGSA-N 2 2 294.355 -1.401 20 0 CAADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645071 775842669 /nfs/dbraw/zinc/84/26/69/775842669.db2.gz JSRCFXCVDYRUQB-NEPJUHHUSA-N 2 2 282.344 -1.001 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001272300199 775890119 /nfs/dbraw/zinc/89/01/19/775890119.db2.gz CCMNGQMJKMZYQA-UHFFFAOYSA-N 2 2 283.332 -1.844 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001272528760 775929921 /nfs/dbraw/zinc/92/99/21/775929921.db2.gz CPOSPETXFOFFDC-LBPRGKRZSA-N 2 2 292.343 -1.084 20 0 CAADLP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001272552038 775932486 /nfs/dbraw/zinc/93/24/86/775932486.db2.gz AJGAIULZCSXJBI-SSDOTTSWSA-N 2 2 255.278 -2.496 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCN1CC1=CS[C@@H]([NH3+])N1 ZINC001236052910 775978473 /nfs/dbraw/zinc/97/84/73/775978473.db2.gz IXFUMESZEIVYMY-WPRPVWTQSA-N 2 2 258.347 -1.147 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC001236052874 775978576 /nfs/dbraw/zinc/97/85/76/775978576.db2.gz HPXGLPWHLATEAB-NSHDSACASA-N 2 2 257.334 -1.235 20 0 CAADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083779508 776014586 /nfs/dbraw/zinc/01/45/86/776014586.db2.gz GAVBPTKEMMQPLL-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1 ZINC001125220320 776030580 /nfs/dbraw/zinc/03/05/80/776030580.db2.gz GMUDFIJJFKBGIC-NSHDSACASA-N 2 2 282.348 -1.649 20 0 CAADLP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC001125220320 776030583 /nfs/dbraw/zinc/03/05/83/776030583.db2.gz GMUDFIJJFKBGIC-NSHDSACASA-N 2 2 282.348 -1.649 20 0 CAADLP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001125220652 776030859 /nfs/dbraw/zinc/03/08/59/776030859.db2.gz KKGLESHCZYLPRO-GFCCVEGCSA-N 2 2 296.375 -1.166 20 0 CAADLP CCn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001125220652 776030865 /nfs/dbraw/zinc/03/08/65/776030865.db2.gz KKGLESHCZYLPRO-GFCCVEGCSA-N 2 2 296.375 -1.166 20 0 CAADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC(N)=O)[nH]n1 ZINC001127772175 776040849 /nfs/dbraw/zinc/04/08/49/776040849.db2.gz DXUPYLRJCFCFDW-NSHDSACASA-N 2 2 294.359 -1.019 20 0 CAADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC(N)=O)[nH]n1 ZINC001127772175 776040859 /nfs/dbraw/zinc/04/08/59/776040859.db2.gz DXUPYLRJCFCFDW-NSHDSACASA-N 2 2 294.359 -1.019 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785578 776046334 /nfs/dbraw/zinc/04/63/34/776046334.db2.gz NNVMSMWKYPCLSV-UHFFFAOYSA-N 2 2 279.344 -1.047 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083789465 776074944 /nfs/dbraw/zinc/07/49/44/776074944.db2.gz CICJTIQCGLWKFS-UZWSLXQKSA-N 2 2 294.355 -1.323 20 0 CAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083789465 776074951 /nfs/dbraw/zinc/07/49/51/776074951.db2.gz CICJTIQCGLWKFS-UZWSLXQKSA-N 2 2 294.355 -1.323 20 0 CAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001077892623 776097461 /nfs/dbraw/zinc/09/74/61/776097461.db2.gz BGYQHPVCUWOZAD-CHWSQXEVSA-N 2 2 285.388 -1.128 20 0 CAADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001077892623 776097465 /nfs/dbraw/zinc/09/74/65/776097465.db2.gz BGYQHPVCUWOZAD-CHWSQXEVSA-N 2 2 285.388 -1.128 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009850 776111401 /nfs/dbraw/zinc/11/14/01/776111401.db2.gz VNHWJUSCBQGURT-MVWJERBFSA-N 2 2 282.344 -1.495 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009850 776111409 /nfs/dbraw/zinc/11/14/09/776111409.db2.gz VNHWJUSCBQGURT-MVWJERBFSA-N 2 2 282.344 -1.495 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078018407 776113596 /nfs/dbraw/zinc/11/35/96/776113596.db2.gz ZYPLDCBCUJPDJI-DGCLKSJQSA-N 2 2 294.355 -1.085 20 0 CAADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078018407 776113600 /nfs/dbraw/zinc/11/36/00/776113600.db2.gz ZYPLDCBCUJPDJI-DGCLKSJQSA-N 2 2 294.355 -1.085 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178786 776128168 /nfs/dbraw/zinc/12/81/68/776128168.db2.gz DBFIHQZSXICCKI-QJPTWQEYSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178786 776128171 /nfs/dbraw/zinc/12/81/71/776128171.db2.gz DBFIHQZSXICCKI-QJPTWQEYSA-N 2 2 271.361 -1.376 20 0 CAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174865 776130366 /nfs/dbraw/zinc/13/03/66/776130366.db2.gz UVRYWYBDYCLKMJ-QJPTWQEYSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174865 776130371 /nfs/dbraw/zinc/13/03/71/776130371.db2.gz UVRYWYBDYCLKMJ-QJPTWQEYSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174865 776130373 /nfs/dbraw/zinc/13/03/73/776130373.db2.gz UVRYWYBDYCLKMJ-QJPTWQEYSA-N 2 2 298.387 -1.812 20 0 CAADLP CN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174865 776130378 /nfs/dbraw/zinc/13/03/78/776130378.db2.gz UVRYWYBDYCLKMJ-QJPTWQEYSA-N 2 2 298.387 -1.812 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078205815 776131921 /nfs/dbraw/zinc/13/19/21/776131921.db2.gz DVJPTBXVAQVSQE-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078205815 776131925 /nfs/dbraw/zinc/13/19/25/776131925.db2.gz DVJPTBXVAQVSQE-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078205815 776131930 /nfs/dbraw/zinc/13/19/30/776131930.db2.gz DVJPTBXVAQVSQE-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078205815 776131933 /nfs/dbraw/zinc/13/19/33/776131933.db2.gz DVJPTBXVAQVSQE-UTUOFQBUSA-N 2 2 287.360 -2.139 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078182348 776132395 /nfs/dbraw/zinc/13/23/95/776132395.db2.gz QJIBGEPMEMKPGC-GHMZBOCLSA-N 2 2 268.317 -1.655 20 0 CAADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078182348 776132407 /nfs/dbraw/zinc/13/24/07/776132407.db2.gz QJIBGEPMEMKPGC-GHMZBOCLSA-N 2 2 268.317 -1.655 20 0 CAADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205748 776133470 /nfs/dbraw/zinc/13/34/70/776133470.db2.gz BETIWNMTJIAHMI-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205748 776133476 /nfs/dbraw/zinc/13/34/76/776133476.db2.gz BETIWNMTJIAHMI-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078205748 776133479 /nfs/dbraw/zinc/13/34/79/776133479.db2.gz BETIWNMTJIAHMI-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205748 776133485 /nfs/dbraw/zinc/13/34/85/776133485.db2.gz BETIWNMTJIAHMI-IJLUTSLNSA-N 2 2 271.361 -1.112 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078272424 776134970 /nfs/dbraw/zinc/13/49/70/776134970.db2.gz WIPBROWDUSDCMD-NXEZZACHSA-N 2 2 254.290 -1.963 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078272424 776134977 /nfs/dbraw/zinc/13/49/77/776134977.db2.gz WIPBROWDUSDCMD-NXEZZACHSA-N 2 2 254.290 -1.963 20 0 CAADLP C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@@H](C1)O2 ZINC001273069275 776188794 /nfs/dbraw/zinc/18/87/94/776188794.db2.gz HEOTZJHVQXHVPU-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@@H](C1)O2 ZINC001273069275 776188796 /nfs/dbraw/zinc/18/87/96/776188796.db2.gz HEOTZJHVQXHVPU-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@@H](C1)O2 ZINC001273069275 776188800 /nfs/dbraw/zinc/18/88/00/776188800.db2.gz HEOTZJHVQXHVPU-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@@H](C1)O2 ZINC001273069275 776188803 /nfs/dbraw/zinc/18/88/03/776188803.db2.gz HEOTZJHVQXHVPU-SDDRHHMPSA-N 2 2 269.345 -1.406 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045397857 776224762 /nfs/dbraw/zinc/22/47/62/776224762.db2.gz QYFHGTJZXXYLKM-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)C1 ZINC001045397857 776224772 /nfs/dbraw/zinc/22/47/72/776224772.db2.gz QYFHGTJZXXYLKM-NSHDSACASA-N 2 2 298.387 -1.227 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967149 776226557 /nfs/dbraw/zinc/22/65/57/776226557.db2.gz CTSHORVJLKPWJK-UHFFFAOYSA-N 2 2 253.306 -1.206 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001128967556 776228742 /nfs/dbraw/zinc/22/87/42/776228742.db2.gz WDNKUSIRDWYZJY-SNVBAGLBSA-N 2 2 293.327 -1.147 20 0 CAADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001128967556 776228747 /nfs/dbraw/zinc/22/87/47/776228747.db2.gz WDNKUSIRDWYZJY-SNVBAGLBSA-N 2 2 293.327 -1.147 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001128967214 776228942 /nfs/dbraw/zinc/22/89/42/776228942.db2.gz GWAUKLWAWHTJFP-MRVPVSSYSA-N 2 2 253.306 -1.078 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967478 776229642 /nfs/dbraw/zinc/22/96/42/776229642.db2.gz SFPWUNZHDIBBDK-UHFFFAOYSA-N 2 2 282.304 -1.757 20 0 CAADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001168756731 776235724 /nfs/dbraw/zinc/23/57/24/776235724.db2.gz PYIFOXAVRINLQA-UHFFFAOYSA-N 2 2 276.304 -1.369 20 0 CAADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+][C@@H]1CCNC1=O ZINC001128992307 776236269 /nfs/dbraw/zinc/23/62/69/776236269.db2.gz ZMACWUDNMRZHEA-SNVBAGLBSA-N 2 2 265.317 -1.063 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481269 776370385 /nfs/dbraw/zinc/37/03/85/776370385.db2.gz CMQAZFCLKGOTQH-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481269 776370395 /nfs/dbraw/zinc/37/03/95/776370395.db2.gz CMQAZFCLKGOTQH-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481269 776370405 /nfs/dbraw/zinc/37/04/05/776370405.db2.gz CMQAZFCLKGOTQH-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481269 776370413 /nfs/dbraw/zinc/37/04/13/776370413.db2.gz CMQAZFCLKGOTQH-UTUOFQBUSA-N 2 2 287.360 -1.875 20 0 CAADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082326705 776411624 /nfs/dbraw/zinc/41/16/24/776411624.db2.gz OBMWJRAOORQAGH-VXGBXAGGSA-N 2 2 282.344 -1.230 20 0 CAADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082326705 776411626 /nfs/dbraw/zinc/41/16/26/776411626.db2.gz OBMWJRAOORQAGH-VXGBXAGGSA-N 2 2 282.344 -1.230 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954341 776437785 /nfs/dbraw/zinc/43/77/85/776437785.db2.gz VNHWJUSCBQGURT-JLLWLGSASA-N 2 2 282.344 -1.495 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954341 776437792 /nfs/dbraw/zinc/43/77/92/776437792.db2.gz VNHWJUSCBQGURT-JLLWLGSASA-N 2 2 282.344 -1.495 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083954345 776438453 /nfs/dbraw/zinc/43/84/53/776438453.db2.gz WAVNYHCTYPXYEH-MNOVXSKESA-N 2 2 268.317 -1.884 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083954345 776438457 /nfs/dbraw/zinc/43/84/57/776438457.db2.gz WAVNYHCTYPXYEH-MNOVXSKESA-N 2 2 268.317 -1.884 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083997732 776439394 /nfs/dbraw/zinc/43/93/94/776439394.db2.gz KOQYFJBMUWRXIW-NEPJUHHUSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083997732 776439399 /nfs/dbraw/zinc/43/93/99/776439399.db2.gz KOQYFJBMUWRXIW-NEPJUHHUSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083998274 776439714 /nfs/dbraw/zinc/43/97/14/776439714.db2.gz YVVLDBDDMHZGOL-MNOVXSKESA-N 2 2 268.317 -1.586 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083998274 776439715 /nfs/dbraw/zinc/43/97/15/776439715.db2.gz YVVLDBDDMHZGOL-MNOVXSKESA-N 2 2 268.317 -1.586 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057281 776445089 /nfs/dbraw/zinc/44/50/89/776445089.db2.gz DBFIHQZSXICCKI-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057281 776445093 /nfs/dbraw/zinc/44/50/93/776445093.db2.gz DBFIHQZSXICCKI-UTUOFQBUSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057280 776446022 /nfs/dbraw/zinc/44/60/22/776446022.db2.gz DBFIHQZSXICCKI-TUAOUCFPSA-N 2 2 271.361 -1.376 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057280 776446027 /nfs/dbraw/zinc/44/60/27/776446027.db2.gz DBFIHQZSXICCKI-TUAOUCFPSA-N 2 2 271.361 -1.376 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084115354 776447006 /nfs/dbraw/zinc/44/70/06/776447006.db2.gz KPTJVMOADCCILL-MNOVXSKESA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084115354 776447010 /nfs/dbraw/zinc/44/70/10/776447010.db2.gz KPTJVMOADCCILL-MNOVXSKESA-N 2 2 268.317 -1.573 20 0 CAADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114738 776447513 /nfs/dbraw/zinc/44/75/13/776447513.db2.gz BUMQEGGTDKSPDT-AXFHLTTASA-N 2 2 268.317 -1.575 20 0 CAADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114738 776447517 /nfs/dbraw/zinc/44/75/17/776447517.db2.gz BUMQEGGTDKSPDT-AXFHLTTASA-N 2 2 268.317 -1.575 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084251992 776452192 /nfs/dbraw/zinc/45/21/92/776452192.db2.gz BAPNNLXCWAAKEC-UPJWGTAASA-N 2 2 283.372 -1.158 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCO)C[C@H]32)C1 ZINC001084251992 776452197 /nfs/dbraw/zinc/45/21/97/776452197.db2.gz BAPNNLXCWAAKEC-UPJWGTAASA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)C1 ZINC001084251992 776452202 /nfs/dbraw/zinc/45/22/02/776452202.db2.gz BAPNNLXCWAAKEC-UPJWGTAASA-N 2 2 283.372 -1.158 20 0 CAADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)C1 ZINC001084251992 776452207 /nfs/dbraw/zinc/45/22/07/776452207.db2.gz BAPNNLXCWAAKEC-UPJWGTAASA-N 2 2 283.372 -1.158 20 0 CAADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531594 776487189 /nfs/dbraw/zinc/48/71/89/776487189.db2.gz WBPVNJSGVLUGAO-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531594 776487191 /nfs/dbraw/zinc/48/71/91/776487191.db2.gz WBPVNJSGVLUGAO-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531594 776487193 /nfs/dbraw/zinc/48/71/93/776487193.db2.gz WBPVNJSGVLUGAO-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP CN(C[C@@H]1CC[NH+]1CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531594 776487194 /nfs/dbraw/zinc/48/71/94/776487194.db2.gz WBPVNJSGVLUGAO-RYUDHWBXSA-N 2 2 271.361 -1.158 20 0 CAADLP C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000828578017 776488488 /nfs/dbraw/zinc/48/84/88/776488488.db2.gz WAWPAZHFFMLJBR-RWMBFGLXSA-N 2 2 285.388 -1.034 20 0 CAADLP C[C@H](O)[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000828578017 776488490 /nfs/dbraw/zinc/48/84/90/776488490.db2.gz WAWPAZHFFMLJBR-RWMBFGLXSA-N 2 2 285.388 -1.034 20 0 CAADLP CS(=O)(=O)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066731 776519701 /nfs/dbraw/zinc/51/97/01/776519701.db2.gz HEUDPMXLNQGMLD-MRVPVSSYSA-N 2 2 297.340 -1.072 20 0 CAADLP COc1nc(OC)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066478 776520224 /nfs/dbraw/zinc/52/02/24/776520224.db2.gz FAQGIJVRLNXHCE-SSDOTTSWSA-N 2 2 280.288 -1.063 20 0 CAADLP NC(=O)Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001169067086 776520674 /nfs/dbraw/zinc/52/06/74/776520674.db2.gz OFDOYHZBCCYPHG-MRVPVSSYSA-N 2 2 276.300 -1.448 20 0 CAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001169125359 776521065 /nfs/dbraw/zinc/52/10/65/776521065.db2.gz ZSMRCENAYBNILD-ILWJIGKKSA-N 2 2 254.334 -1.197 20 0 CAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001169125359 776521071 /nfs/dbraw/zinc/52/10/71/776521071.db2.gz ZSMRCENAYBNILD-ILWJIGKKSA-N 2 2 254.334 -1.197 20 0 CAADLP NC(=O)c1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169075242 776521713 /nfs/dbraw/zinc/52/17/13/776521713.db2.gz WITUWRJJEUHLIE-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP C[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001169228227 776521843 /nfs/dbraw/zinc/52/18/43/776521843.db2.gz DTVSKUBVODAPMW-QMMMGPOBSA-N 2 2 296.331 -1.369 20 0 CAADLP CNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169199605 776521903 /nfs/dbraw/zinc/52/19/03/776521903.db2.gz MMOZZJQDFGRMSN-UHFFFAOYSA-N 2 2 253.306 -1.206 20 0 CAADLP NC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169071407 776521960 /nfs/dbraw/zinc/52/19/60/776521960.db2.gz CGCPJMDEOXIWQG-SSDOTTSWSA-N 2 2 262.273 -1.377 20 0 CAADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001169125360 776522413 /nfs/dbraw/zinc/52/24/13/776522413.db2.gz ZSMRCENAYBNILD-OWUUHHOZSA-N 2 2 254.334 -1.197 20 0 CAADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC(=O)NCC(N)=O)C2 ZINC001169125360 776522417 /nfs/dbraw/zinc/52/24/17/776522417.db2.gz ZSMRCENAYBNILD-OWUUHHOZSA-N 2 2 254.334 -1.197 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC(N)=O ZINC001169228226 776522449 /nfs/dbraw/zinc/52/24/49/776522449.db2.gz DTVSKUBVODAPMW-MRVPVSSYSA-N 2 2 296.331 -1.369 20 0 CAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)OCC(=O)N2 ZINC001169072977 776522488 /nfs/dbraw/zinc/52/24/88/776522488.db2.gz WPPIJYDQJUVEKD-SSDOTTSWSA-N 2 2 290.283 -1.145 20 0 CAADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)NC(=O)CO2 ZINC001169072330 776522567 /nfs/dbraw/zinc/52/25/67/776522567.db2.gz MOQLAJVKODKHOW-SSDOTTSWSA-N 2 2 290.283 -1.145 20 0 CAADLP CC[NH+]1CCC([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001169244173 776523585 /nfs/dbraw/zinc/52/35/85/776523585.db2.gz FUNXAWOKIOPCRF-UHFFFAOYSA-N 2 2 299.375 -2.222 20 0 CAADLP C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108568083 776537643 /nfs/dbraw/zinc/53/76/43/776537643.db2.gz IUBGFRCDLSNBEC-NSHDSACASA-N 2 2 298.387 -1.668 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108568082 776538560 /nfs/dbraw/zinc/53/85/60/776538560.db2.gz IUBGFRCDLSNBEC-LLVKDONJSA-N 2 2 298.387 -1.668 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090432075 776553818 /nfs/dbraw/zinc/55/38/18/776553818.db2.gz HWMIEQJCWMGBBO-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090432075 776553826 /nfs/dbraw/zinc/55/38/26/776553826.db2.gz HWMIEQJCWMGBBO-QWRGUYRKSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090432073 776554077 /nfs/dbraw/zinc/55/40/77/776554077.db2.gz HWMIEQJCWMGBBO-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090432073 776554078 /nfs/dbraw/zinc/55/40/78/776554078.db2.gz HWMIEQJCWMGBBO-GHMZBOCLSA-N 2 2 295.343 -1.772 20 0 CAADLP C[NH+]1CCN(c2cccc(NC(CO)(CO)CO)[nH+]2)CC1 ZINC001157152500 776560035 /nfs/dbraw/zinc/56/00/35/776560035.db2.gz DOOCEKUFWMSKDJ-UHFFFAOYSA-N 2 2 296.371 -1.039 20 0 CAADLP CN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1=O ZINC001157485935 776578173 /nfs/dbraw/zinc/57/81/73/776578173.db2.gz RQZZVDRXMNAGBX-LNLATYFQSA-N 2 2 252.318 -1.491 20 0 CAADLP O=C(N1CC(N2CC(F)C2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157525393 776583208 /nfs/dbraw/zinc/58/32/08/776583208.db2.gz BEHZCKVQAJLVDU-TVQRCGJNSA-N 2 2 268.336 -1.198 20 0 CAADLP C[NH+](C)CCOCC(=O)N1CC[NH+](CCO)CC1 ZINC001113545328 776588914 /nfs/dbraw/zinc/58/89/14/776588914.db2.gz JRGXVQFMUUAQRU-UHFFFAOYSA-N 2 2 259.350 -1.299 20 0 CAADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001157716528 776600103 /nfs/dbraw/zinc/60/01/03/776600103.db2.gz PCEYVLDMOBTEST-DKCNOQQISA-N 2 2 259.281 -1.353 20 0 CAADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001157717337 776600215 /nfs/dbraw/zinc/60/02/15/776600215.db2.gz ZNGSWDGLGHBUAV-VHSKPIJISA-N 2 2 259.281 -1.211 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157855597 776620568 /nfs/dbraw/zinc/62/05/68/776620568.db2.gz NVNOGYYGJXMSLT-OGBGREFGSA-N 2 2 257.309 -1.132 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436978 776620619 /nfs/dbraw/zinc/62/06/19/776620619.db2.gz UKHGJVBXNKPQIW-LLVKDONJSA-N 2 2 281.364 -1.244 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893501 776632716 /nfs/dbraw/zinc/63/27/16/776632716.db2.gz SQSMZKGQPSWYRI-HTQZYQBOSA-N 2 2 294.315 -1.586 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157903276 776640996 /nfs/dbraw/zinc/64/09/96/776640996.db2.gz FCBHPNKOOGNLPT-DVVUODLYSA-N 2 2 268.317 -1.519 20 0 CAADLP [NH3+]C1(C(=O)N2CC[C@H](CO)[C@@H](O)C2)CC[NH2+]CC1 ZINC001157905376 776641119 /nfs/dbraw/zinc/64/11/19/776641119.db2.gz TZHRLBBUWZNCPA-ZJUUUORDSA-N 2 2 257.334 -1.731 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157903280 776641289 /nfs/dbraw/zinc/64/12/89/776641289.db2.gz FCBHPNKOOGNLPT-GDPRMGEGSA-N 2 2 268.317 -1.519 20 0 CAADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001130197357 776645183 /nfs/dbraw/zinc/64/51/83/776645183.db2.gz HBTGPEJQNXAQLN-SECBINFHSA-N 2 2 269.353 -1.244 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934983 776647914 /nfs/dbraw/zinc/64/79/14/776647914.db2.gz PUTPVNUKPMWSPU-NGDQXYMTSA-N 2 2 269.345 -1.862 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC[C@H]1O ZINC001157943499 776647978 /nfs/dbraw/zinc/64/79/78/776647978.db2.gz DJCUOSAICHEOOR-GUDRVLHUSA-N 2 2 257.334 -1.875 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934991 776648107 /nfs/dbraw/zinc/64/81/07/776648107.db2.gz PZRBWCNVCAJGCJ-GDPRMGEGSA-N 2 2 268.317 -1.519 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297788 776648693 /nfs/dbraw/zinc/64/86/93/776648693.db2.gz RQIAVGWUXIZQFB-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297788 776648704 /nfs/dbraw/zinc/64/87/04/776648704.db2.gz RQIAVGWUXIZQFB-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC[C@@H]1O ZINC001157943502 776648891 /nfs/dbraw/zinc/64/88/91/776648891.db2.gz DJCUOSAICHEOOR-QFOLPQNPSA-N 2 2 257.334 -1.875 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)nc1=O ZINC001130298211 776649297 /nfs/dbraw/zinc/64/92/97/776649297.db2.gz YIYYTSZSKCDYQK-JTQLQIEISA-N 2 2 296.375 -1.202 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)nc1=O ZINC001130298211 776649300 /nfs/dbraw/zinc/64/93/00/776649300.db2.gz YIYYTSZSKCDYQK-JTQLQIEISA-N 2 2 296.375 -1.202 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@H]1O ZINC001157946969 776653514 /nfs/dbraw/zinc/65/35/14/776653514.db2.gz QCEPPFSNYJWTRI-XMKDAVRRSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1O ZINC001157946964 776653582 /nfs/dbraw/zinc/65/35/82/776653582.db2.gz QCEPPFSNYJWTRI-BLUODKFWSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[C@H]1O ZINC001157946889 776654289 /nfs/dbraw/zinc/65/42/89/776654289.db2.gz PFYBPWBAZBMGPK-YCGPCKTQSA-N 2 2 283.372 -1.472 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC[C@@H]1O ZINC001157946492 776654435 /nfs/dbraw/zinc/65/44/35/776654435.db2.gz NWLCRXVCWSQAFC-GVXVVHGQSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@@]1(CO)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[C@H]1O ZINC001157948018 776654704 /nfs/dbraw/zinc/65/47/04/776654704.db2.gz YQTALQRRLMAOLG-AFCCXKIYSA-N 2 2 283.372 -1.200 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[C@@H]1O ZINC001157946879 776655057 /nfs/dbraw/zinc/65/50/57/776655057.db2.gz PFYBPWBAZBMGPK-BYNIDDHOSA-N 2 2 283.372 -1.472 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC[C@H]1O ZINC001157946490 776655136 /nfs/dbraw/zinc/65/51/36/776655136.db2.gz NWLCRXVCWSQAFC-DMDPSCGWSA-N 2 2 282.344 -1.129 20 0 CAADLP C[C@]1(CO)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC[C@H]1O ZINC001157948028 776655151 /nfs/dbraw/zinc/65/51/51/776655151.db2.gz YQTALQRRLMAOLG-XMKDAVRRSA-N 2 2 283.372 -1.200 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130400720 776656637 /nfs/dbraw/zinc/65/66/37/776656637.db2.gz FDVHCDVNDFKOKB-SNVBAGLBSA-N 2 2 279.344 -1.103 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477828 776657807 /nfs/dbraw/zinc/65/78/07/776657807.db2.gz LSYBYJQEENECTO-VIFPVBQESA-N 2 2 265.317 -1.363 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478338 776658203 /nfs/dbraw/zinc/65/82/03/776658203.db2.gz YISCQQBHGTZZDZ-SNVBAGLBSA-N 2 2 279.344 -1.103 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488600 776658211 /nfs/dbraw/zinc/65/82/11/776658211.db2.gz SEQVCSJFJMOYNM-VIFPVBQESA-N 2 2 265.317 -1.363 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001130645916 776665166 /nfs/dbraw/zinc/66/51/66/776665166.db2.gz XISPBXROBIHHFD-QMMMGPOBSA-N 2 2 283.332 -1.071 20 0 CAADLP [NH3+]C1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]CC1 ZINC001158166684 776679044 /nfs/dbraw/zinc/67/90/44/776679044.db2.gz BVCLQILGRHWLHH-GHMZBOCLSA-N 3 2 268.361 -1.486 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131423941 776692206 /nfs/dbraw/zinc/69/22/06/776692206.db2.gz DSCLRTNCRNBMQE-UHFFFAOYSA-N 2 2 279.344 -1.047 20 0 CAADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001131639810 776697211 /nfs/dbraw/zinc/69/72/11/776697211.db2.gz OWCBTHCXTHZXFD-JTQLQIEISA-N 2 2 279.344 -1.053 20 0 CAADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001131822882 776703334 /nfs/dbraw/zinc/70/33/34/776703334.db2.gz WWBZAMWLGFPNPK-NSHDSACASA-N 2 2 286.376 -1.322 20 0 CAADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(N)=O ZINC001131822882 776703340 /nfs/dbraw/zinc/70/33/40/776703340.db2.gz WWBZAMWLGFPNPK-NSHDSACASA-N 2 2 286.376 -1.322 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822493 776704420 /nfs/dbraw/zinc/70/44/20/776704420.db2.gz PRNWTRKQIMEVOP-GFCCVEGCSA-N 2 2 298.387 -1.322 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131822493 776704426 /nfs/dbraw/zinc/70/44/26/776704426.db2.gz PRNWTRKQIMEVOP-GFCCVEGCSA-N 2 2 298.387 -1.322 20 0 CAADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001158497704 776709266 /nfs/dbraw/zinc/70/92/66/776709266.db2.gz DUJDXMDLIDRBSF-UHFZAUJKSA-N 3 2 296.371 -1.715 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079817 776713241 /nfs/dbraw/zinc/71/32/41/776713241.db2.gz OCZMJICJFKAORP-UHFFFAOYSA-N 2 2 282.304 -1.826 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)NC(N)=O ZINC001132085258 776713273 /nfs/dbraw/zinc/71/32/73/776713273.db2.gz PPXDOSQXZDYFEP-VIFPVBQESA-N 2 2 296.331 -1.438 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCOCCO ZINC001132082774 776713324 /nfs/dbraw/zinc/71/33/24/776713324.db2.gz VRXQMLQRSUEBKY-UHFFFAOYSA-N 2 2 270.333 -1.012 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001132081772 776713336 /nfs/dbraw/zinc/71/33/36/776713336.db2.gz DNZCUDFTYRIDJW-SNVBAGLBSA-N 2 2 293.327 -1.216 20 0 CAADLP O=C(CCn1cc[nH+]c1)NCC[NH2+][C@H]1CCNC1=O ZINC001132079781 776713511 /nfs/dbraw/zinc/71/35/11/776713511.db2.gz MBVAXABJVIUMSR-JTQLQIEISA-N 2 2 265.317 -1.133 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001132080006 776713804 /nfs/dbraw/zinc/71/38/04/776713804.db2.gz XALUICIMBPVRHT-SECBINFHSA-N 2 2 253.306 -1.147 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079590 776713988 /nfs/dbraw/zinc/71/39/88/776713988.db2.gz CNJAJZBMWGFXPK-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079877 776714116 /nfs/dbraw/zinc/71/41/16/776714116.db2.gz QSYMBUDPWVJNRG-NSHDSACASA-N 2 2 270.333 -1.014 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1 ZINC001158546790 776715283 /nfs/dbraw/zinc/71/52/83/776715283.db2.gz MBMHCCIVJWDRLC-GHMOJZLGSA-N 3 2 280.372 -1.345 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784288 776751582 /nfs/dbraw/zinc/75/15/82/776751582.db2.gz OSBRBKPJXILVTE-GFCCVEGCSA-N 2 2 298.387 -1.179 20 0 CAADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784288 776751585 /nfs/dbraw/zinc/75/15/85/776751585.db2.gz OSBRBKPJXILVTE-GFCCVEGCSA-N 2 2 298.387 -1.179 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)CCC[NH+](C)C)nc1=O ZINC001133040173 776757452 /nfs/dbraw/zinc/75/74/52/776757452.db2.gz DYEIQRZSXUGIPN-UHFFFAOYSA-N 2 2 284.364 -1.344 20 0 CAADLP CN(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397459 776813321 /nfs/dbraw/zinc/81/33/21/776813321.db2.gz NLGYPOIHABYBLJ-UHFFFAOYSA-N 2 2 253.306 -1.254 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397685 776813644 /nfs/dbraw/zinc/81/36/44/776813644.db2.gz SRPFVUFYHVFLFO-QMMMGPOBSA-N 2 2 296.331 -1.498 20 0 CAADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC1CC1 ZINC001134406924 776813864 /nfs/dbraw/zinc/81/38/64/776813864.db2.gz IGEGAZLZAMTBIL-UHFFFAOYSA-N 2 2 265.317 -1.063 20 0 CAADLP CN1CC[C@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134397660 776813988 /nfs/dbraw/zinc/81/39/88/776813988.db2.gz RGRFPBWVPLAQOV-JTQLQIEISA-N 2 2 265.317 -1.111 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001134401361 776814123 /nfs/dbraw/zinc/81/41/23/776814123.db2.gz ZFQKLFJODRZEOB-UHFFFAOYSA-N 2 2 293.327 -1.193 20 0 CAADLP COC[C@@H](O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134394288 776815111 /nfs/dbraw/zinc/81/51/11/776815111.db2.gz XYSXVPQLEHWHES-JTQLQIEISA-N 2 2 256.306 -1.335 20 0 CAADLP CC[C@@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001134396860 776815741 /nfs/dbraw/zinc/81/57/41/776815741.db2.gz GNGPHZIHDQDLFN-SECBINFHSA-N 2 2 253.306 -1.078 20 0 CAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407122 776816301 /nfs/dbraw/zinc/81/63/01/776816301.db2.gz RXFFNDIEGURMNS-UHFFFAOYSA-N 2 2 296.331 -1.496 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+][C@@H]1CCNC1=O ZINC001134407088 776816356 /nfs/dbraw/zinc/81/63/56/776816356.db2.gz QFCUWICLGWFVAO-SECBINFHSA-N 2 2 251.290 -1.454 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135080641 776835760 /nfs/dbraw/zinc/83/57/60/776835760.db2.gz YUULWCDYZOLCAV-QMMMGPOBSA-N 2 2 296.331 -1.511 20 0 CAADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(N)=O ZINC001135080363 776836436 /nfs/dbraw/zinc/83/64/36/776836436.db2.gz RMUZQNLFOJVAQD-QMMMGPOBSA-N 2 2 253.306 -1.221 20 0 CAADLP C[C@H]1C[N@H+](CCNC(=O)CNC(=O)C[NH3+])CCO1 ZINC001118219340 779554767 /nfs/dbraw/zinc/55/47/67/779554767.db2.gz WPOHOKHBEARVHT-VIFPVBQESA-N 2 2 258.322 -2.102 20 0 CAADLP C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)C[NH3+])CCO1 ZINC001118219340 779554771 /nfs/dbraw/zinc/55/47/71/779554771.db2.gz WPOHOKHBEARVHT-VIFPVBQESA-N 2 2 258.322 -2.102 20 0 CAADLP CN(CCCn1cc[nH+]c1)C(=O)CNC(=O)C[NH3+] ZINC001118201565 779552808 /nfs/dbraw/zinc/55/28/08/779552808.db2.gz OUICMEAXXSPUNI-UHFFFAOYSA-N 2 2 253.306 -1.194 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118218213 779554154 /nfs/dbraw/zinc/55/41/54/779554154.db2.gz DBCRLYLIOXKLPR-VHSXEESVSA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118218213 779554160 /nfs/dbraw/zinc/55/41/60/779554160.db2.gz DBCRLYLIOXKLPR-VHSXEESVSA-N 2 2 254.334 -1.196 20 0 CAADLP C[C@@H](CNC(=O)CNC(=O)C[NH3+])Cn1cc[nH+]c1 ZINC001118219118 779554203 /nfs/dbraw/zinc/55/42/03/779554203.db2.gz PTFKLIKTKADDOE-VIFPVBQESA-N 2 2 253.306 -1.290 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118219111 779554490 /nfs/dbraw/zinc/55/44/90/779554490.db2.gz POJDQTLEHYZMEG-UWVGGRQHSA-N 2 2 256.350 -1.092 20 0 CAADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118219111 779554494 /nfs/dbraw/zinc/55/44/94/779554494.db2.gz POJDQTLEHYZMEG-UWVGGRQHSA-N 2 2 256.350 -1.092 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118218212 779554858 /nfs/dbraw/zinc/55/48/58/779554858.db2.gz DBCRLYLIOXKLPR-NXEZZACHSA-N 2 2 254.334 -1.196 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118218212 779554863 /nfs/dbraw/zinc/55/48/63/779554863.db2.gz DBCRLYLIOXKLPR-NXEZZACHSA-N 2 2 254.334 -1.196 20 0 CAADLP C[NH2+]C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC001118256017 779558208 /nfs/dbraw/zinc/55/82/08/779558208.db2.gz JVCAYICFURTJLM-UHFFFAOYSA-N 2 2 254.334 -1.371 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001118287300 779560602 /nfs/dbraw/zinc/56/06/02/779560602.db2.gz UJQWSFUWLVTOJZ-SVDPJWKOSA-N 2 2 266.345 -1.482 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001118287300 779560609 /nfs/dbraw/zinc/56/06/09/779560609.db2.gz UJQWSFUWLVTOJZ-SVDPJWKOSA-N 2 2 266.345 -1.482 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001118287301 779560669 /nfs/dbraw/zinc/56/06/69/779560669.db2.gz UJQWSFUWLVTOJZ-UXCLJVHYSA-N 2 2 266.345 -1.482 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001118287301 779560679 /nfs/dbraw/zinc/56/06/79/779560679.db2.gz UJQWSFUWLVTOJZ-UXCLJVHYSA-N 2 2 266.345 -1.482 20 0 CAADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC001118569665 779576853 /nfs/dbraw/zinc/57/68/53/779576853.db2.gz IZRGCPXRWHZHQS-SECBINFHSA-N 2 2 254.334 -1.066 20 0 CAADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC001118569665 779576857 /nfs/dbraw/zinc/57/68/57/779576857.db2.gz IZRGCPXRWHZHQS-SECBINFHSA-N 2 2 254.334 -1.066 20 0 CAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118925809 779598326 /nfs/dbraw/zinc/59/83/26/779598326.db2.gz YHAMETRTZOPKKU-WDEREUQCSA-N 2 2 295.343 -1.508 20 0 CAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118925806 779598540 /nfs/dbraw/zinc/59/85/40/779598540.db2.gz YHAMETRTZOPKKU-GHMZBOCLSA-N 2 2 295.343 -1.508 20 0 CAADLP CCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC001119380558 779613612 /nfs/dbraw/zinc/61/36/12/779613612.db2.gz JARSWJJFJBCMKE-JTQLQIEISA-N 2 2 254.334 -1.371 20 0 CAADLP Cn1cnnc1N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001119682601 779623436 /nfs/dbraw/zinc/62/34/36/779623436.db2.gz OLZHSEGMKLCHCZ-DCAQKATOSA-N 2 2 266.349 -1.212 20 0 CAADLP CC1(C)C[N@H+](CCNC(=O)CNCC[NH3+])CCO1 ZINC001121997581 779654206 /nfs/dbraw/zinc/65/42/06/779654206.db2.gz XJACYLYPBYUITR-UHFFFAOYSA-N 2 2 258.366 -1.238 20 0 CAADLP CC1(C)C[N@@H+](CCNC(=O)CNCC[NH3+])CCO1 ZINC001121997581 779654210 /nfs/dbraw/zinc/65/42/10/779654210.db2.gz XJACYLYPBYUITR-UHFFFAOYSA-N 2 2 258.366 -1.238 20 0 CAADLP [NH3+]CCNCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001121997203 779654235 /nfs/dbraw/zinc/65/42/35/779654235.db2.gz BTITVUXDZGRKJE-UHFFFAOYSA-N 2 2 296.375 -1.298 20 0 CAADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001122078998 779656506 /nfs/dbraw/zinc/65/65/06/779656506.db2.gz FBPPBFIAJCFXEC-WQJDUCKJSA-N 2 2 255.318 -1.676 20 0 CAADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC001122144885 779659468 /nfs/dbraw/zinc/65/94/68/779659468.db2.gz FMBDXJGDEPGKFS-GHMZBOCLSA-N 2 2 268.361 -1.220 20 0 CAADLP [NH3+]CCNCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122144146 779659804 /nfs/dbraw/zinc/65/98/04/779659804.db2.gz VGAMGCRDYWGDPU-NSHDSACASA-N 2 2 256.350 -1.532 20 0 CAADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC001122410372 779667990 /nfs/dbraw/zinc/66/79/90/779667990.db2.gz JUVIJAVXGMXFPD-MFKMUULPSA-N 2 2 266.345 -1.242 20 0 CAADLP [NH3+]C1CC2(C1)CC(NC(=O)CN1CC[NH2+]CC1=O)C2 ZINC001122523035 779671049 /nfs/dbraw/zinc/67/10/49/779671049.db2.gz XABMNROSMUUFHS-UHFFFAOYSA-N 2 2 266.345 -1.196 20 0 CAADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001124872475 779719255 /nfs/dbraw/zinc/71/92/55/779719255.db2.gz HHMZZQJNYVCDNG-JTQLQIEISA-N 2 2 277.390 -1.169 20 0 CAADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001124872475 779719248 /nfs/dbraw/zinc/71/92/48/779719248.db2.gz HHMZZQJNYVCDNG-JTQLQIEISA-N 2 2 277.390 -1.169 20 0 CAADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001124872476 779719634 /nfs/dbraw/zinc/71/96/34/779719634.db2.gz HHMZZQJNYVCDNG-SNVBAGLBSA-N 2 2 277.390 -1.169 20 0 CAADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001124872476 779719639 /nfs/dbraw/zinc/71/96/39/779719639.db2.gz HHMZZQJNYVCDNG-SNVBAGLBSA-N 2 2 277.390 -1.169 20 0 CAADLP CC(C)[N@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001142590994 779760991 /nfs/dbraw/zinc/76/09/91/779760991.db2.gz XHULFJIYEMCVJK-DCAQKATOSA-N 2 2 256.354 -2.154 20 0 CAADLP CC(C)[N@@H+](C)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001142590994 779760994 /nfs/dbraw/zinc/76/09/94/779760994.db2.gz XHULFJIYEMCVJK-DCAQKATOSA-N 2 2 256.354 -2.154 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001149558350 779780417 /nfs/dbraw/zinc/78/04/17/779780417.db2.gz IDNRHCHLDJXDFL-NSHDSACASA-N 2 2 279.344 -1.053 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001150224296 779788636 /nfs/dbraw/zinc/78/86/36/779788636.db2.gz IMVSACKMTDLABR-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001150224296 779788632 /nfs/dbraw/zinc/78/86/32/779788632.db2.gz IMVSACKMTDLABR-NSHDSACASA-N 2 2 286.376 -1.370 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)C[NH+]2CCCC2)nc1=O ZINC001151097228 779804811 /nfs/dbraw/zinc/80/48/11/779804811.db2.gz LUXAMLPIFVFCGH-UHFFFAOYSA-N 2 2 282.348 -1.590 20 0 CAADLP Cn1nnnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151113920 779805455 /nfs/dbraw/zinc/80/54/55/779805455.db2.gz BCXLMXKHRSWUIW-UHFFFAOYSA-N 2 2 267.337 -1.488 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151737454 779812729 /nfs/dbraw/zinc/81/27/29/779812729.db2.gz DJGAKCVQWMOSMA-LLVKDONJSA-N 2 2 283.332 -1.004 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151737454 779812734 /nfs/dbraw/zinc/81/27/34/779812734.db2.gz DJGAKCVQWMOSMA-LLVKDONJSA-N 2 2 283.332 -1.004 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001151740130 779815381 /nfs/dbraw/zinc/81/53/81/779815381.db2.gz PSASXGFVHCTWPQ-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001151740130 779815385 /nfs/dbraw/zinc/81/53/85/779815385.db2.gz PSASXGFVHCTWPQ-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001151740132 779815908 /nfs/dbraw/zinc/81/59/08/779815908.db2.gz PSASXGFVHCTWPQ-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cn(C)nn2)C1 ZINC001151740132 779815915 /nfs/dbraw/zinc/81/59/15/779815915.db2.gz PSASXGFVHCTWPQ-LBPRGKRZSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151817102 779816613 /nfs/dbraw/zinc/81/66/13/779816613.db2.gz KSWHTMSOOPWGBG-ZYHUDNBSSA-N 2 2 257.334 -1.452 20 0 CAADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001151817102 779816622 /nfs/dbraw/zinc/81/66/22/779816622.db2.gz KSWHTMSOOPWGBG-ZYHUDNBSSA-N 2 2 257.334 -1.452 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]2NCN[C@@H]21 ZINC001151909979 779817099 /nfs/dbraw/zinc/81/70/99/779817099.db2.gz OCBNFMPXYQZXDO-IJLUTSLNSA-N 2 2 287.327 -1.533 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001153500039 779840029 /nfs/dbraw/zinc/84/00/29/779840029.db2.gz CTAIMNUPBOBRCE-LBPRGKRZSA-N 2 2 292.343 -1.154 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001153495802 779840361 /nfs/dbraw/zinc/84/03/61/779840361.db2.gz ODUPEAZZPJJDDD-VIFPVBQESA-N 2 2 279.300 -1.606 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001153500885 779840510 /nfs/dbraw/zinc/84/05/10/779840510.db2.gz YLWQUVXEKJPMCY-UHFFFAOYSA-N 2 2 294.315 -1.859 20 0 CAADLP CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487986 779840545 /nfs/dbraw/zinc/84/05/45/779840545.db2.gz XXXZQGWRCIPREY-UHFFFAOYSA-N 2 2 253.306 -1.275 20 0 CAADLP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487748 779840652 /nfs/dbraw/zinc/84/06/52/779840652.db2.gz MBCVLQSYPZFZOD-UHFFFAOYSA-N 2 2 296.331 -1.565 20 0 CAADLP C[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(N)=O ZINC001153500292 779840933 /nfs/dbraw/zinc/84/09/33/779840933.db2.gz IZJRVQHMBODLDA-MRVPVSSYSA-N 2 2 282.304 -1.828 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001153495801 779841138 /nfs/dbraw/zinc/84/11/38/779841138.db2.gz ODUPEAZZPJJDDD-SECBINFHSA-N 2 2 279.300 -1.606 20 0 CAADLP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500267 779841196 /nfs/dbraw/zinc/84/11/96/779841196.db2.gz HTANJOKWNLPPQO-VIFPVBQESA-N 2 2 296.331 -1.567 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001155791550 779877694 /nfs/dbraw/zinc/87/76/94/779877694.db2.gz WNOMMYGSMVOGRV-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001155791550 779877704 /nfs/dbraw/zinc/87/77/04/779877704.db2.gz WNOMMYGSMVOGRV-JTQLQIEISA-N 2 2 281.364 -1.100 20 0 CAADLP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145723 779882284 /nfs/dbraw/zinc/88/22/84/779882284.db2.gz OHTZJLCGOPJOLJ-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145723 779882293 /nfs/dbraw/zinc/88/22/93/779882293.db2.gz OHTZJLCGOPJOLJ-NSHDSACASA-N 2 2 296.375 -1.258 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001156144756 779882711 /nfs/dbraw/zinc/88/27/11/779882711.db2.gz FZRLQMBORVTIOQ-NSHDSACASA-N 2 2 283.332 -1.004 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001156144756 779882719 /nfs/dbraw/zinc/88/27/19/779882719.db2.gz FZRLQMBORVTIOQ-NSHDSACASA-N 2 2 283.332 -1.004 20 0 CAADLP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1 ZINC001156146398 779883534 /nfs/dbraw/zinc/88/35/34/779883534.db2.gz YEQLPRZJGSGTCH-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1 ZINC001156146398 779883537 /nfs/dbraw/zinc/88/35/37/779883537.db2.gz YEQLPRZJGSGTCH-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP OCC(CO)(CO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157152734 779896936 /nfs/dbraw/zinc/89/69/36/779896936.db2.gz PHHCEXKAZWYPHN-UHFFFAOYSA-N 2 2 282.344 -1.381 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC001157323602 779899585 /nfs/dbraw/zinc/89/95/85/779899585.db2.gz UYSKKIYTEDIPOI-JTQLQIEISA-N 2 2 299.375 -2.222 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)n1cc[nH+]c1 ZINC001157323479 779899903 /nfs/dbraw/zinc/89/99/03/779899903.db2.gz RMMZZGQVEVDZHW-QWRGUYRKSA-N 2 2 297.359 -1.224 20 0 CAADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157337914 779900581 /nfs/dbraw/zinc/90/05/81/779900581.db2.gz ZEBIMPVMSVIHLZ-UTLUCORTSA-N 3 2 271.365 -1.965 20 0 CAADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2[NH2+]CC[C@H]2O)n[nH]1 ZINC001157439302 779902682 /nfs/dbraw/zinc/90/26/82/779902682.db2.gz DHZLCTCOKRKPMA-SVRRBLITSA-N 2 2 252.278 -1.333 20 0 CAADLP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157449270 779903107 /nfs/dbraw/zinc/90/31/07/779903107.db2.gz VDJCYQGCQBCIDI-QWRGUYRKSA-N 3 2 298.387 -1.194 20 0 CAADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CSCC[NH3+])n[nH]1 ZINC001157439273 779903357 /nfs/dbraw/zinc/90/33/57/779903357.db2.gz BWRXQRVHMZBRQJ-ZETCQYMHSA-N 3 2 285.377 -1.036 20 0 CAADLP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001157450496 779904598 /nfs/dbraw/zinc/90/45/98/779904598.db2.gz CUTOVNLPLZLRLU-JTQLQIEISA-N 2 2 254.334 -1.290 20 0 CAADLP CNC(=O)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157495903 779905392 /nfs/dbraw/zinc/90/53/92/779905392.db2.gz NPQZQCPUGLSOIW-UWVGGRQHSA-N 2 2 254.334 -1.482 20 0 CAADLP CNC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001157495774 779905534 /nfs/dbraw/zinc/90/55/34/779905534.db2.gz MBGOORQSQDEDFJ-SDDRHHMPSA-N 2 2 280.372 -1.079 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC001157498173 779905815 /nfs/dbraw/zinc/90/58/15/779905815.db2.gz WXMTXCUGUQPQQH-GRYCIOLGSA-N 2 2 296.371 -1.475 20 0 CAADLP CNC(=O)C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157495112 779905860 /nfs/dbraw/zinc/90/58/60/779905860.db2.gz FRZQNGFADGCQQD-FZMZJTMJSA-N 2 2 280.372 -1.078 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001157498174 779905873 /nfs/dbraw/zinc/90/58/73/779905873.db2.gz WXMTXCUGUQPQQH-WOPDTQHZSA-N 2 2 296.371 -1.475 20 0 CAADLP CNC(=O)C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157495109 779905936 /nfs/dbraw/zinc/90/59/36/779905936.db2.gz FRZQNGFADGCQQD-BXUZGUMPSA-N 2 2 280.372 -1.078 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157508427 779906468 /nfs/dbraw/zinc/90/64/68/779906468.db2.gz UQTBFDMYYDOVGB-IUCAKERBSA-N 2 2 256.306 -1.556 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCn2cnnc2C1 ZINC001157506893 779906745 /nfs/dbraw/zinc/90/67/45/779906745.db2.gz AMCNXKWGVIJUJC-JTQLQIEISA-N 2 2 275.316 -1.076 20 0 CAADLP COC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157507661 779906971 /nfs/dbraw/zinc/90/69/71/779906971.db2.gz KKIMIZUVQSLCPS-GXFFZTMASA-N 2 2 282.344 -1.152 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2cnnc2C1 ZINC001157507740 779906986 /nfs/dbraw/zinc/90/69/86/779906986.db2.gz LZRRCOVQTBAWLR-VIFPVBQESA-N 2 2 261.289 -1.087 20 0 CAADLP O=C(N1CCn2cnnc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157506869 779907031 /nfs/dbraw/zinc/90/70/31/779907031.db2.gz ADFIVSWHNSGILN-CABZTGNLSA-N 2 2 262.317 -1.428 20 0 CAADLP O=C(N1CC(N2CC(F)C2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157525392 779907550 /nfs/dbraw/zinc/90/75/50/779907550.db2.gz BEHZCKVQAJLVDU-RNCFNFMXSA-N 2 2 268.336 -1.198 20 0 CAADLP CC1([NH3+])CN(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001157652025 779908853 /nfs/dbraw/zinc/90/88/53/779908853.db2.gz VSEXGKNTTWVIPA-SNVBAGLBSA-N 3 2 255.366 -1.704 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157715525 779910077 /nfs/dbraw/zinc/91/00/77/779910077.db2.gz FQEUPUWJJUFKMW-MDZLAQPJSA-N 3 2 268.361 -1.615 20 0 CAADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157715524 779910516 /nfs/dbraw/zinc/91/05/16/779910516.db2.gz FQEUPUWJJUFKMW-GVXVVHGQSA-N 3 2 268.361 -1.615 20 0 CAADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157715549 779910651 /nfs/dbraw/zinc/91/06/51/779910651.db2.gz GNUNZTBHWCUIJP-UZWSLXQKSA-N 3 2 268.361 -1.345 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(=O)N(C3CC3)C(=O)C2)C1 ZINC001157863015 779915034 /nfs/dbraw/zinc/91/50/34/779915034.db2.gz PIDABNNUPNHTSP-APPZFPTMSA-N 2 2 266.301 -1.965 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862805 779915191 /nfs/dbraw/zinc/91/51/91/779915191.db2.gz LLLMHHJXFHHCJQ-IUCAKERBSA-N 2 2 266.301 -2.107 20 0 CAADLP O=C(N1CC[C@H](CO)[C@H](O)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157903803 779916096 /nfs/dbraw/zinc/91/60/96/779916096.db2.gz HJGXSFHHTMPZSG-UZWSLXQKSA-N 2 2 269.345 -1.860 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCNC(=O)C1 ZINC001157888729 779916204 /nfs/dbraw/zinc/91/62/04/779916204.db2.gz FWPNQOVUDMLYJT-JTQLQIEISA-N 2 2 265.317 -1.362 20 0 CAADLP O=C(N1CC[C@H](CO)[C@H](O)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157903802 779916312 /nfs/dbraw/zinc/91/63/12/779916312.db2.gz HJGXSFHHTMPZSG-PRULPYPASA-N 2 2 269.345 -1.860 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H](CO)[C@H](O)C1 ZINC001157902413 779916744 /nfs/dbraw/zinc/91/67/44/779916744.db2.gz AZEOSFGAJZQIDM-YBXAARCKSA-N 2 2 269.345 -1.862 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157902410 779916767 /nfs/dbraw/zinc/91/67/67/779916767.db2.gz AZEOSFGAJZQIDM-IIRVCBMXSA-N 2 2 269.345 -1.862 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905991 779917453 /nfs/dbraw/zinc/91/74/53/779917453.db2.gz XXQPHOJAAULYMZ-ADEWGFFLSA-N 2 2 282.344 -1.508 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905994 779917540 /nfs/dbraw/zinc/91/75/40/779917540.db2.gz XXQPHOJAAULYMZ-ZMLRMANQSA-N 2 2 282.344 -1.508 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905993 779917825 /nfs/dbraw/zinc/91/78/25/779917825.db2.gz XXQPHOJAAULYMZ-USWWRNFRSA-N 2 2 282.344 -1.508 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935145 779918660 /nfs/dbraw/zinc/91/86/60/779918660.db2.gz SFQHKMQKHMYNJE-DLOVCJGASA-N 2 2 282.344 -1.508 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935147 779918927 /nfs/dbraw/zinc/91/89/27/779918927.db2.gz SFQHKMQKHMYNJE-ZMLRMANQSA-N 2 2 282.344 -1.508 20 0 CAADLP O=C(N1CC[C@H](O)[C@H](CO)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157936307 779919037 /nfs/dbraw/zinc/91/90/37/779919037.db2.gz ZBBSLXRAMURAOA-ZPFDUUQYSA-N 2 2 269.345 -1.860 20 0 CAADLP O=C(N1CC[C@H](O)[C@H](CO)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157936297 779919141 /nfs/dbraw/zinc/91/91/41/779919141.db2.gz ZBBSLXRAMURAOA-MRBYEJRBSA-N 2 2 269.345 -1.860 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934981 779919168 /nfs/dbraw/zinc/91/91/68/779919168.db2.gz PUTPVNUKPMWSPU-KKJSVHSVSA-N 2 2 269.345 -1.862 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C[C@H]1O ZINC001157945243 779919720 /nfs/dbraw/zinc/91/97/20/779919720.db2.gz LBVJOTZOLJBDBE-DTHBNOIPSA-N 2 2 257.334 -1.733 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@H]1O ZINC001157944604 779920341 /nfs/dbraw/zinc/92/03/41/779920341.db2.gz JPLMBZAQVNQQFD-PWSUYJOCSA-N 2 2 271.361 -1.341 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157946870 779920839 /nfs/dbraw/zinc/92/08/39/779920839.db2.gz PCABWSPBFBVBIX-SCRDCRAPSA-N 2 2 296.371 -1.118 20 0 CAADLP C[C@]1(CO)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@@H]1O ZINC001157947382 779920938 /nfs/dbraw/zinc/92/09/38/779920938.db2.gz UBOQLGLZFOGBEW-QFOLPQNPSA-N 2 2 257.334 -1.875 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157946867 779921148 /nfs/dbraw/zinc/92/11/48/779921148.db2.gz PCABWSPBFBVBIX-OBJOEFQTSA-N 2 2 296.371 -1.118 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157946872 779921198 /nfs/dbraw/zinc/92/11/98/779921198.db2.gz PCABWSPBFBVBIX-SGMGOOAPSA-N 2 2 296.371 -1.118 20 0 CAADLP C[C@@]1(CO)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@@H]1O ZINC001157947380 779921442 /nfs/dbraw/zinc/92/14/42/779921442.db2.gz UBOQLGLZFOGBEW-GMOBBJLQSA-N 2 2 257.334 -1.875 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001157998841 779923110 /nfs/dbraw/zinc/92/31/10/779923110.db2.gz IUAANQNARKTYPB-KXUCPTDWSA-N 2 2 271.317 -2.070 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157999069 779923136 /nfs/dbraw/zinc/92/31/36/779923136.db2.gz NPMNKHDBWXDUPD-OPRDCNLKSA-N 2 2 271.317 -1.927 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157999067 779923142 /nfs/dbraw/zinc/92/31/42/779923142.db2.gz NPMNKHDBWXDUPD-GUBZILKMSA-N 2 2 271.317 -1.927 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])COC(C)=O ZINC001158000572 779923291 /nfs/dbraw/zinc/92/32/91/779923291.db2.gz YVAYNIOMMWQVBA-VHSXEESVSA-N 2 2 287.316 -1.760 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001157998764 779923671 /nfs/dbraw/zinc/92/36/71/779923671.db2.gz HGQMXRGOMMCOLD-JTQLQIEISA-N 2 2 284.360 -1.569 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC001157998745 779923912 /nfs/dbraw/zinc/92/39/12/779923912.db2.gz GXKVBUIRGCGNNP-NSHDSACASA-N 2 2 284.360 -1.745 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999468 779924123 /nfs/dbraw/zinc/92/41/23/779924123.db2.gz RNVKITYZQKYHCZ-NEPJUHHUSA-N 3 2 298.387 -1.323 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001158005888 779924377 /nfs/dbraw/zinc/92/43/77/779924377.db2.gz DULNZHHOFAOMSA-CABZTGNLSA-N 2 2 270.333 -1.959 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001158006975 779924781 /nfs/dbraw/zinc/92/47/81/779924781.db2.gz ORXAPJFLFHDNLP-VHSXEESVSA-N 2 2 270.333 -2.089 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001158007536 779924922 /nfs/dbraw/zinc/92/49/22/779924922.db2.gz UQSMIYJXZOXXCX-LPEHRKFASA-N 2 2 270.333 -2.103 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001158007165 779924997 /nfs/dbraw/zinc/92/49/97/779924997.db2.gz QOCPSTRVXQQTHO-GHMZBOCLSA-N 2 2 285.344 -1.272 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070600 779925070 /nfs/dbraw/zinc/92/50/70/779925070.db2.gz KDWQKRXMSFCIAD-RWMBFGLXSA-N 3 2 294.399 -1.083 20 0 CAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CCC[NH3+] ZINC001158006971 779925173 /nfs/dbraw/zinc/92/51/73/779925173.db2.gz OPNZORBRBYWSCJ-SNVBAGLBSA-N 3 2 272.349 -1.712 20 0 CAADLP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158070450 779925221 /nfs/dbraw/zinc/92/52/21/779925221.db2.gz IERLIYLQVDXYIR-IUODEOHRSA-N 3 2 294.399 -1.081 20 0 CAADLP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158070451 779925314 /nfs/dbraw/zinc/92/53/14/779925314.db2.gz IERLIYLQVDXYIR-SWLSCSKDSA-N 3 2 294.399 -1.081 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091887 779925744 /nfs/dbraw/zinc/92/57/44/779925744.db2.gz JFKUJGQDCYQEDQ-WRWORJQWSA-N 2 2 294.319 -3.240 20 0 CAADLP O=C([C@@H]1COCC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101638 779926816 /nfs/dbraw/zinc/92/68/16/779926816.db2.gz KNXDZUMZDCMMPR-CABZTGNLSA-N 2 2 268.317 -2.335 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101025 779926902 /nfs/dbraw/zinc/92/69/02/779926902.db2.gz FWUDTINFMKSDHW-KWQFWETISA-N 3 2 255.322 -2.647 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101024 779926912 /nfs/dbraw/zinc/92/69/12/779926912.db2.gz FWUDTINFMKSDHW-GZMMTYOYSA-N 3 2 255.322 -2.647 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102872 779927202 /nfs/dbraw/zinc/92/72/02/779927202.db2.gz WZVWMXINIUJLGT-HOTUBEGUSA-N 3 2 267.333 -2.776 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158100749 779927416 /nfs/dbraw/zinc/92/74/16/779927416.db2.gz BMWWLIGUSZJSRY-VDDIYKPWSA-N 3 2 267.333 -2.634 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158119863 779927809 /nfs/dbraw/zinc/92/78/09/779927809.db2.gz IBVJPODOQOAHMR-ISTVAULSSA-N 3 2 293.371 -2.386 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158119862 779927840 /nfs/dbraw/zinc/92/78/40/779927840.db2.gz IBVJPODOQOAHMR-BHDSKKPTSA-N 3 2 293.371 -2.386 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158119864 779928618 /nfs/dbraw/zinc/92/86/18/779928618.db2.gz IBVJPODOQOAHMR-PKFCDNJMSA-N 3 2 293.371 -2.386 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167054 779929001 /nfs/dbraw/zinc/92/90/01/779929001.db2.gz HUPQECQNAOTPMI-KGYLQXTDSA-N 3 2 293.371 -1.263 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167449 779929646 /nfs/dbraw/zinc/92/96/46/779929646.db2.gz JLVWJPHONQIIAD-KXUCPTDWSA-N 2 2 271.317 -1.676 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158187434 779930470 /nfs/dbraw/zinc/93/04/70/779930470.db2.gz PSTZVXOZCGIZOO-KQXCDPHESA-N 3 2 250.346 -1.112 20 0 CAADLP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158187435 779930528 /nfs/dbraw/zinc/93/05/28/779930528.db2.gz PSTZVXOZCGIZOO-MZYPSXCRSA-N 3 2 250.346 -1.112 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158179736 779930703 /nfs/dbraw/zinc/93/07/03/779930703.db2.gz MYXVPTWXNGTBCW-VPOLOUISSA-N 3 2 254.334 -1.878 20 0 CAADLP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158305143 779932454 /nfs/dbraw/zinc/93/24/54/779932454.db2.gz DLHNLCVBDDZWNK-SBFPOUOMSA-N 3 2 250.346 -1.242 20 0 CAADLP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158305142 779932675 /nfs/dbraw/zinc/93/26/75/779932675.db2.gz DLHNLCVBDDZWNK-MEWQQHAOSA-N 3 2 250.346 -1.242 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326193 779932701 /nfs/dbraw/zinc/93/27/01/779932701.db2.gz JBXYMDBHWMVERK-UWVGGRQHSA-N 2 2 282.344 -1.959 20 0 CAADLP O=C(N1CCS(=O)(=O)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158371424 779933249 /nfs/dbraw/zinc/93/32/49/779933249.db2.gz YYMJHSDTMZSQAM-GXSJLCMTSA-N 2 2 273.358 -1.805 20 0 CAADLP O=C(N1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158371430 779933733 /nfs/dbraw/zinc/93/37/33/779933733.db2.gz YYMJHSDTMZSQAM-KOLCDFICSA-N 2 2 273.358 -1.805 20 0 CAADLP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158421438 779934276 /nfs/dbraw/zinc/93/42/76/779934276.db2.gz DSUNNIFIVVRGKB-MRBYEJRBSA-N 3 2 250.346 -1.099 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158415747 779934438 /nfs/dbraw/zinc/93/44/38/779934438.db2.gz NSZVSFSOFQWQQA-FXQIFTODSA-N 2 2 251.294 -1.968 20 0 CAADLP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158421436 779935121 /nfs/dbraw/zinc/93/51/21/779935121.db2.gz DSUNNIFIVVRGKB-BLFANLJRSA-N 3 2 250.346 -1.099 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421686 779935138 /nfs/dbraw/zinc/93/51/38/779935138.db2.gz FHXIOHLZOOAAGK-KKJSVHSVSA-N 3 2 250.346 -1.101 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547944 779937049 /nfs/dbraw/zinc/93/70/49/779937049.db2.gz QYLIWKRQAPXAJR-XJBAAKRRSA-N 3 2 280.372 -1.488 20 0 CAADLP COCC[NH+]1CCN(C(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001158602689 779937680 /nfs/dbraw/zinc/93/76/80/779937680.db2.gz BBHIIPRPHXGILO-UHFFFAOYSA-N 2 2 270.377 -1.142 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001158602637 779937848 /nfs/dbraw/zinc/93/78/48/779937848.db2.gz AETLEPDRUYEBOG-NSHDSACASA-N 2 2 256.350 -1.662 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001158605094 779937985 /nfs/dbraw/zinc/93/79/85/779937985.db2.gz VFZJHVMQRHRYGD-NSHDSACASA-N 3 2 258.366 -1.157 20 0 CAADLP COCC[NH+]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001158602655 779938101 /nfs/dbraw/zinc/93/81/01/779938101.db2.gz ALUQAUUAZBSBOE-LBPRGKRZSA-N 2 2 298.387 -1.893 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567420 779938235 /nfs/dbraw/zinc/93/82/35/779938235.db2.gz HWZWDTQOZTZSLP-YIZRAAEISA-N 2 2 297.338 -1.395 20 0 CAADLP CN1CCO[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]21 ZINC001158803525 779940642 /nfs/dbraw/zinc/94/06/42/779940642.db2.gz GOXABDGVZZMHST-SSKLVLDBSA-N 2 2 280.372 -1.250 20 0 CAADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001159929505 779952739 /nfs/dbraw/zinc/95/27/39/779952739.db2.gz FLEWTEIGZOTUAJ-ZOBORPQBSA-N 3 2 295.431 -1.088 20 0 CAADLP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001160093670 779954511 /nfs/dbraw/zinc/95/45/11/779954511.db2.gz IULOZJJWYXJOFR-GCHJQGSQSA-N 2 2 280.372 -1.095 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001160155530 779955639 /nfs/dbraw/zinc/95/56/39/779955639.db2.gz IHTIWWIVCPGCQT-MQYQWHSLSA-N 3 2 294.399 -1.003 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001160155530 779955645 /nfs/dbraw/zinc/95/56/45/779955645.db2.gz IHTIWWIVCPGCQT-MQYQWHSLSA-N 3 2 294.399 -1.003 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156991 779956533 /nfs/dbraw/zinc/95/65/33/779956533.db2.gz RXTWYMCEBNLICM-XQQFMLRXSA-N 3 2 282.388 -1.016 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156991 779956536 /nfs/dbraw/zinc/95/65/36/779956536.db2.gz RXTWYMCEBNLICM-XQQFMLRXSA-N 3 2 282.388 -1.016 20 0 CAADLP CS(=O)(=O)N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160431998 779958854 /nfs/dbraw/zinc/95/88/54/779958854.db2.gz KFSGEGNXKSJVAL-IUCAKERBSA-N 2 2 276.362 -2.363 20 0 CAADLP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160439521 779959348 /nfs/dbraw/zinc/95/93/48/779959348.db2.gz LTOWCETXDLCLSU-DTWKUNHWSA-N 2 2 286.332 -2.057 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160457131 779961393 /nfs/dbraw/zinc/96/13/93/779961393.db2.gz YSNAJBPSNLSINN-JOYOIKCWSA-N 2 2 267.333 -1.839 20 0 CAADLP C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160450849 779961416 /nfs/dbraw/zinc/96/14/16/779961416.db2.gz IAAUTEWKFSFWIY-WPRPVWTQSA-N 2 2 265.317 -1.363 20 0 CAADLP NC(=O)N1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160457126 779961634 /nfs/dbraw/zinc/96/16/34/779961634.db2.gz YSNAJBPSNLSINN-BXKDBHETSA-N 2 2 267.333 -1.839 20 0 CAADLP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160485144 779962400 /nfs/dbraw/zinc/96/24/00/779962400.db2.gz RTCAQTIGMMZSQQ-NEPJUHHUSA-N 2 2 297.403 -1.656 20 0 CAADLP CN(C)C(=O)CN(C)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160505256 779964007 /nfs/dbraw/zinc/96/40/07/779964007.db2.gz UIMRRXYOBCSZRK-UHFFFAOYSA-N 2 2 256.350 -1.125 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506710 779964032 /nfs/dbraw/zinc/96/40/32/779964032.db2.gz PTWDABOOBKWBHH-NWDGAFQWSA-N 2 2 298.387 -1.098 20 0 CAADLP COC(=O)CN1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160531466 779965076 /nfs/dbraw/zinc/96/50/76/779965076.db2.gz PWIPIEIKAWZMAP-UHFFFAOYSA-N 2 2 284.360 -1.616 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160530991 779965118 /nfs/dbraw/zinc/96/51/18/779965118.db2.gz DINHQVFTZLVGNW-LLVKDONJSA-N 2 2 295.343 -1.403 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(CO)C1 ZINC001160531592 779965737 /nfs/dbraw/zinc/96/57/37/779965737.db2.gz VDZBORKNCZLPPB-LLVKDONJSA-N 2 2 256.350 -1.813 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN(c3cccnn3)CC2)C1 ZINC001160571542 779966363 /nfs/dbraw/zinc/96/63/63/779966363.db2.gz TVSZJDUAPOAIBS-MNOVXSKESA-N 2 2 276.344 -1.186 20 0 CAADLP CCOC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160597963 779968064 /nfs/dbraw/zinc/96/80/64/779968064.db2.gz ZGSHRJJJMUBXNB-BIAAXOCRSA-N 2 2 297.355 -1.001 20 0 CAADLP COC(=O)C[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCO1 ZINC001160595993 779968147 /nfs/dbraw/zinc/96/81/47/779968147.db2.gz KCRAJGZOPWHQNI-GUBZILKMSA-N 2 2 271.317 -1.676 20 0 CAADLP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160597564 779968238 /nfs/dbraw/zinc/96/82/38/779968238.db2.gz USKJLXJTLWEHPY-YFKTTZPYSA-N 2 2 297.355 -1.273 20 0 CAADLP CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCO1 ZINC001160595588 779968685 /nfs/dbraw/zinc/96/86/85/779968685.db2.gz GEALVGOITBIKIU-KXUCPTDWSA-N 2 2 271.317 -1.534 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(N3CCNC(=O)C3)C2)C1 ZINC001160638186 779970763 /nfs/dbraw/zinc/97/07/63/779970763.db2.gz YHAZOCQHTZSVTK-SCZZXKLOSA-N 2 2 267.333 -2.682 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637368 779971115 /nfs/dbraw/zinc/97/11/15/779971115.db2.gz MLCVVCFYMPMNQT-NSHDSACASA-N 2 2 284.360 -1.488 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640533 779972230 /nfs/dbraw/zinc/97/22/30/779972230.db2.gz GSIHVTKXADBRDJ-MNOVXSKESA-N 2 2 293.327 -1.047 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640593 779972543 /nfs/dbraw/zinc/97/25/43/779972543.db2.gz IHBIZNNNSLJLMP-XPUUQOCRSA-N 2 2 279.300 -1.681 20 0 CAADLP CN(CC1COC1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160647573 779973730 /nfs/dbraw/zinc/97/37/30/779973730.db2.gz NZTRXESVRZKHBD-GFCCVEGCSA-N 2 2 270.377 -1.158 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647294 779973765 /nfs/dbraw/zinc/97/37/65/779973765.db2.gz GAULNIDYPGNABA-UTLUCORTSA-N 2 2 252.318 -1.634 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652404 779973803 /nfs/dbraw/zinc/97/38/03/779973803.db2.gz DGMFYSLTSMUBHF-KXUCPTDWSA-N 3 2 253.306 -1.800 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001160658146 779975405 /nfs/dbraw/zinc/97/54/05/779975405.db2.gz PLXUAPBDGORDJZ-UJNFCWOMSA-N 2 2 288.373 -2.304 20 0 CAADLP O=C(N1[C@H]2COC[C@@H]1CC(=O)C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160660931 779975263 /nfs/dbraw/zinc/97/52/63/779975263.db2.gz LVXFBOIGALZMTA-NJBDSQKTSA-N 2 2 279.340 -1.103 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160658293 779975529 /nfs/dbraw/zinc/97/55/29/779975529.db2.gz SUYHLSLPEZLHQN-VIFPVBQESA-N 2 2 287.345 -1.961 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160704369 779976517 /nfs/dbraw/zinc/97/65/17/779976517.db2.gz JTKKJFJGISRBGD-AXTSPUMRSA-N 2 2 268.317 -2.351 20 0 CAADLP CC1(C)CN(C2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)CCO1 ZINC001160662931 779977159 /nfs/dbraw/zinc/97/71/59/779977159.db2.gz GCRLKCQHIDOBAC-PWSUYJOCSA-N 2 2 282.388 -1.003 20 0 CAADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CCS(=O)(=O)CC1 ZINC001160718204 779977960 /nfs/dbraw/zinc/97/79/60/779977960.db2.gz DWGYDYGGOQLQPV-SCZZXKLOSA-N 2 2 275.374 -1.289 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705170 779978508 /nfs/dbraw/zinc/97/85/08/779978508.db2.gz UCVRDYKYJYYWRL-UWVGGRQHSA-N 2 2 281.316 -1.997 20 0 CAADLP NC(=O)[C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001160704781 779978807 /nfs/dbraw/zinc/97/88/07/779978807.db2.gz NYZHANNAPAAILT-QMMMGPOBSA-N 2 2 256.306 -2.220 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])CC[NH3+])C1CCS(=O)(=O)CC1 ZINC001160718989 779979685 /nfs/dbraw/zinc/97/96/85/779979685.db2.gz ZXGVVDZDZNUEPB-VIFPVBQESA-N 2 2 263.363 -1.302 20 0 CAADLP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCc2[nH+]ccn2CC1 ZINC001160761036 779979759 /nfs/dbraw/zinc/97/97/59/779979759.db2.gz UNNZOINWZIWKMT-NSHDSACASA-N 2 2 291.355 -1.402 20 0 CAADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCc2[nH+]ccn2CC1 ZINC001160760196 779980113 /nfs/dbraw/zinc/98/01/13/779980113.db2.gz GYMFEJJATNNDCR-UWVGGRQHSA-N 2 2 250.302 -1.009 20 0 CAADLP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160746475 779980129 /nfs/dbraw/zinc/98/01/29/779980129.db2.gz JUCQYFOMHUMPEX-UTUOFQBUSA-N 2 2 298.387 -1.181 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN3C(=O)COC[C@H]3C2)C1 ZINC001160789789 779980991 /nfs/dbraw/zinc/98/09/91/779980991.db2.gz FVETZOZCXBFSTQ-BBBLOLIVSA-N 2 2 268.317 -2.255 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001160789790 779981246 /nfs/dbraw/zinc/98/12/46/779981246.db2.gz FVETZOZCXBFSTQ-UTLUCORTSA-N 2 2 268.317 -2.255 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789386 779981369 /nfs/dbraw/zinc/98/13/69/779981369.db2.gz BNQLGYCHIGDBHM-WDEREUQCSA-N 2 2 293.327 -1.651 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789383 779981423 /nfs/dbraw/zinc/98/14/23/779981423.db2.gz BNQLGYCHIGDBHM-MNOVXSKESA-N 2 2 293.327 -1.651 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CC2)CNC(=O)CO3)C1 ZINC001160772004 779981571 /nfs/dbraw/zinc/98/15/71/779981571.db2.gz LJUHTHFNRUUKKG-ZJUUUORDSA-N 2 2 282.344 -1.817 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790561 779982082 /nfs/dbraw/zinc/98/20/82/779982082.db2.gz QIXNMVNNGJPSHO-FIQHERPVSA-N 2 2 294.355 -1.994 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCn2nncc2C1 ZINC001160832225 779982392 /nfs/dbraw/zinc/98/23/92/779982392.db2.gz IGFSCEFBKJBVEP-NSHDSACASA-N 2 2 275.316 -1.076 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160837505 779982961 /nfs/dbraw/zinc/98/29/61/779982961.db2.gz ADZGBFXJMYDZBS-VWYCJHECSA-N 3 2 256.350 -1.678 20 0 CAADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160837205 779983622 /nfs/dbraw/zinc/98/36/22/779983622.db2.gz FIJKSGZWOWVPJN-BZPMIXESSA-N 3 2 282.388 -1.273 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160839396 779984043 /nfs/dbraw/zinc/98/40/43/779984043.db2.gz PLDLCBKYZWMNSZ-NSHDSACASA-N 3 2 270.377 -1.144 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCN1C ZINC001160870631 779984072 /nfs/dbraw/zinc/98/40/72/779984072.db2.gz HGWBJJVEKFZETD-YFKTTZPYSA-N 2 2 296.371 -1.748 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCN1C ZINC001160870254 779984272 /nfs/dbraw/zinc/98/42/72/779984272.db2.gz BCHNYUNQSCULAY-SUNKGSAMSA-N 2 2 296.371 -1.747 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCN1C ZINC001160870255 779984432 /nfs/dbraw/zinc/98/44/32/779984432.db2.gz BCHNYUNQSCULAY-UHIISALHSA-N 2 2 296.371 -1.747 20 0 CAADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCN1C ZINC001160871216 779984911 /nfs/dbraw/zinc/98/49/11/779984911.db2.gz RNYBSIMSVADFNP-QWRGUYRKSA-N 2 2 295.343 -1.405 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCN1C ZINC001160870870 779985197 /nfs/dbraw/zinc/98/51/97/779985197.db2.gz OJDDCVDMBZXSFI-KXUCPTDWSA-N 2 2 270.333 -2.009 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCN1C ZINC001160870665 779985253 /nfs/dbraw/zinc/98/52/53/779985253.db2.gz IRUYTJQDAXWBPY-BIAAXOCRSA-N 2 2 296.371 -1.476 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(CCO)CC(F)(F)F ZINC001160908935 779986821 /nfs/dbraw/zinc/98/68/21/779986821.db2.gz FBDNXTIZLKJRPA-BQBZGAKWSA-N 2 2 255.240 -1.084 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999522 779988762 /nfs/dbraw/zinc/98/87/62/779988762.db2.gz GRHRDFUUOXJKLF-UWVGGRQHSA-N 2 2 285.344 -1.408 20 0 CAADLP [NH3+]C1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001160999941 779989289 /nfs/dbraw/zinc/98/92/89/779989289.db2.gz NBZNEGGRKABIEC-LLVKDONJSA-N 3 2 282.388 -1.217 20 0 CAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161034776 779990997 /nfs/dbraw/zinc/99/09/97/779990997.db2.gz MLDMMRQVSFTPPU-XBWDGYHZSA-N 2 2 252.318 -1.316 20 0 CAADLP CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058164 779992136 /nfs/dbraw/zinc/99/21/36/779992136.db2.gz OYGGFBVVWNHREH-VGMNWLOBSA-N 2 2 267.337 -1.202 20 0 CAADLP O=C(N1CCC2(CNC(=O)N2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161082847 779992361 /nfs/dbraw/zinc/99/23/61/779992361.db2.gz PMWSUGVXIBXFJJ-HZMBPMFUSA-N 2 2 293.371 -1.388 20 0 CAADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]21 ZINC001161081122 779992746 /nfs/dbraw/zinc/99/27/46/779992746.db2.gz FNVVTGAGLGLFDM-GUBZILKMSA-N 2 2 279.348 -1.378 20 0 CAADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@@H]21 ZINC001161081122 779992751 /nfs/dbraw/zinc/99/27/51/779992751.db2.gz FNVVTGAGLGLFDM-GUBZILKMSA-N 2 2 279.348 -1.378 20 0 CAADLP O=C(N1CCC2(CNC(=O)N2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161082848 779993055 /nfs/dbraw/zinc/99/30/55/779993055.db2.gz PMWSUGVXIBXFJJ-IINYFYTJSA-N 2 2 293.371 -1.388 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161092853 779994017 /nfs/dbraw/zinc/99/40/17/779994017.db2.gz CIPAFXIZIDMPID-JTQLQIEISA-N 2 2 285.344 -1.142 20 0 CAADLP O=C(N1C[C@@H]2C[C@H]1C(=O)O2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161084305 779994023 /nfs/dbraw/zinc/99/40/23/779994023.db2.gz FNRRQGUZZDNUJK-JDVQERKKSA-N 2 2 251.286 -1.536 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161092904 779994077 /nfs/dbraw/zinc/99/40/77/779994077.db2.gz FBATUCCTDYCXCJ-GUBZILKMSA-N 2 2 271.317 -1.676 20 0 CAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CNC(=O)N2)CC1 ZINC001161083408 779994197 /nfs/dbraw/zinc/99/41/97/779994197.db2.gz UEENINSDCPNZSK-GARJFASQSA-N 2 2 293.371 -1.390 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161093058 779994278 /nfs/dbraw/zinc/99/42/78/779994278.db2.gz GVIPNNFNWGAVKV-UTLUCORTSA-N 2 2 271.317 -1.534 20 0 CAADLP CCOC(=O)[C@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161092854 779994658 /nfs/dbraw/zinc/99/46/58/779994658.db2.gz CIPAFXIZIDMPID-SNVBAGLBSA-N 2 2 285.344 -1.142 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161093715 779995333 /nfs/dbraw/zinc/99/53/33/779995333.db2.gz VRFMAEZHHICYPB-UHIISALHSA-N 2 2 297.355 -1.272 20 0 CAADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161093712 779995578 /nfs/dbraw/zinc/99/55/78/779995578.db2.gz VRFMAEZHHICYPB-COPLHBTASA-N 2 2 297.355 -1.272 20 0 CAADLP CCOC(=O)[C@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161093810 779996067 /nfs/dbraw/zinc/99/60/67/779996067.db2.gz XQVUGHZJLUUYCS-BIAAXOCRSA-N 2 2 297.355 -1.001 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC001161137946 779996840 /nfs/dbraw/zinc/99/68/40/779996840.db2.gz IOXGNWDMUAUMJD-LAEOZQHASA-N 2 2 257.290 -2.188 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001161138096 779996990 /nfs/dbraw/zinc/99/69/90/779996990.db2.gz NCZWDGFTPIDFPU-JDVQERKKSA-N 2 2 253.302 -1.445 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001161136987 779997003 /nfs/dbraw/zinc/99/70/03/779997003.db2.gz ATMXFEARUFAOFD-LBPRGKRZSA-N 2 2 270.333 -2.006 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC001161138095 779997027 /nfs/dbraw/zinc/99/70/27/779997027.db2.gz NCZWDGFTPIDFPU-HAYRHPOISA-N 2 2 253.302 -1.445 20 0 CAADLP CCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C1C[NH+](C)C1 ZINC001161137639 779997070 /nfs/dbraw/zinc/99/70/70/779997070.db2.gz FUEGZVXQJSKIDC-NSHDSACASA-N 2 2 268.361 -1.521 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C1 ZINC001161137754 779997173 /nfs/dbraw/zinc/99/71/73/779997173.db2.gz GTKJBZMLCYVZJK-GWCFXTLKSA-N 2 2 295.343 -1.607 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]CCN2)C1 ZINC001161137114 779997225 /nfs/dbraw/zinc/99/72/25/779997225.db2.gz CAGGKJVMZIWUOU-KCJUWKMLSA-N 2 2 256.306 -2.349 20 0 CAADLP CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C1C[NH+](C)C1 ZINC001161138588 779997341 /nfs/dbraw/zinc/99/73/41/779997341.db2.gz WQAKGKLAMVLUIU-WPRPVWTQSA-N 2 2 272.349 -2.027 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161138308 779997547 /nfs/dbraw/zinc/99/75/47/779997547.db2.gz RJXZNEMJFMFAGH-KWQFWETISA-N 3 2 258.322 -1.845 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161138356 779997608 /nfs/dbraw/zinc/99/76/08/779997608.db2.gz STCOGVGGGAQEAW-LERXQTSPSA-N 3 2 296.371 -1.712 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C2(N)CC[NH2+]CC2)C1 ZINC001161138265 779997995 /nfs/dbraw/zinc/99/79/95/779997995.db2.gz QOAZBBGVNYLHQS-GFCCVEGCSA-N 2 2 270.333 -1.830 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001161138526 779997849 /nfs/dbraw/zinc/99/78/49/779997849.db2.gz CAGGKJVMZIWUOU-KWQFWETISA-N 2 2 256.306 -2.349 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CCCCNC(N)=[NH2+])C1 ZINC001161138455 779998016 /nfs/dbraw/zinc/99/80/16/779998016.db2.gz ASEYZHKERWJCOV-GFCCVEGCSA-N 2 2 285.348 -1.257 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161138206 779998040 /nfs/dbraw/zinc/99/80/40/779998040.db2.gz PHCVEGPSRHTSNI-TVQRCGJNSA-N 2 2 298.343 -2.580 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC001161138864 779998968 /nfs/dbraw/zinc/99/89/68/779998968.db2.gz FQATXCOISUMCTR-LAEOZQHASA-N 2 2 257.290 -2.331 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC001161138863 779998993 /nfs/dbraw/zinc/99/89/93/779998993.db2.gz FQATXCOISUMCTR-FYBVGQRMSA-N 2 2 257.290 -2.331 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C1 ZINC001161138865 779999035 /nfs/dbraw/zinc/99/90/35/779999035.db2.gz FQATXCOISUMCTR-RNSXUZJQSA-N 2 2 257.290 -2.331 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139430 779999063 /nfs/dbraw/zinc/99/90/63/779999063.db2.gz TXIXREHIPZKOSM-MFKMUULPSA-N 3 2 284.360 -1.584 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001161139269 779999160 /nfs/dbraw/zinc/99/91/60/779999160.db2.gz PSPORJMXJATLNS-BXKDBHETSA-N 2 2 271.317 -1.532 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1 ZINC001161139651 779999185 /nfs/dbraw/zinc/99/91/85/779999185.db2.gz ZRAQTBSALIKYGK-DKCNOQQISA-N 2 2 257.290 -2.188 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161139018 779999191 /nfs/dbraw/zinc/99/91/91/779999191.db2.gz JEWQTDCJSABJNY-GZMMTYOYSA-N 3 2 290.389 -1.892 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001161138802 779999225 /nfs/dbraw/zinc/99/92/25/779999225.db2.gz ZJTMORMSERJWCF-KZWBYHQPSA-N 2 2 297.355 -1.144 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161158552 780000185 /nfs/dbraw/zinc/00/01/85/780000185.db2.gz WSFFRSXIMHQLGT-SMDDNHRTSA-N 3 2 298.387 -1.322 20 0 CAADLP CCOC(=O)CN(CCC[NH3+])C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161158548 780000225 /nfs/dbraw/zinc/00/02/25/780000225.db2.gz WQINPMDDOZNQKF-UHFFFAOYSA-N 3 2 286.376 -1.192 20 0 CAADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219825 780001302 /nfs/dbraw/zinc/00/13/02/780001302.db2.gz UELGMPQMWBEVME-NEJQNHLGSA-N 3 2 250.346 -1.388 20 0 CAADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]2C1 ZINC001161174982 780001549 /nfs/dbraw/zinc/00/15/49/780001549.db2.gz HWTLUPMLSMFKJD-AXFHLTTASA-N 2 2 293.375 -1.130 20 0 CAADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nn[nH]n3)C[C@H]2C1 ZINC001161174982 780001553 /nfs/dbraw/zinc/00/15/53/780001553.db2.gz HWTLUPMLSMFKJD-AXFHLTTASA-N 2 2 293.375 -1.130 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161236816 780002658 /nfs/dbraw/zinc/00/26/58/780002658.db2.gz GUCMPRWIEJOJPX-ZJUUUORDSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161236816 780002667 /nfs/dbraw/zinc/00/26/67/780002667.db2.gz GUCMPRWIEJOJPX-ZJUUUORDSA-N 3 2 272.349 -1.632 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001161237713 780002722 /nfs/dbraw/zinc/00/27/22/780002722.db2.gz NRUPCYFXUYXUNB-BXKDBHETSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001161237713 780002737 /nfs/dbraw/zinc/00/27/37/780002737.db2.gz NRUPCYFXUYXUNB-BXKDBHETSA-N 2 2 270.333 -2.007 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161237578 780002830 /nfs/dbraw/zinc/00/28/30/780002830.db2.gz MSMNAHGEWNHVTO-MJVIPROJSA-N 2 2 296.371 -1.747 20 0 CAADLP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161239132 780003376 /nfs/dbraw/zinc/00/33/76/780003376.db2.gz GWLKRBVTFTYSLW-GUDRVLHUSA-N 3 2 256.325 -1.164 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236891 780003421 /nfs/dbraw/zinc/00/34/21/780003421.db2.gz HINMAJQNRKIOSY-QWRGUYRKSA-N 3 2 286.376 -1.242 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236891 780003431 /nfs/dbraw/zinc/00/34/31/780003431.db2.gz HINMAJQNRKIOSY-QWRGUYRKSA-N 3 2 286.376 -1.242 20 0 CAADLP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161237736 780003614 /nfs/dbraw/zinc/00/36/14/780003614.db2.gz OCVYAADQLJOCPV-UTLUCORTSA-N 2 2 270.333 -2.009 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001161237690 780003632 /nfs/dbraw/zinc/00/36/32/780003632.db2.gz MZFRURYYBVHTNB-LPEHRKFASA-N 2 2 270.333 -2.151 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001161237690 780003642 /nfs/dbraw/zinc/00/36/42/780003642.db2.gz MZFRURYYBVHTNB-LPEHRKFASA-N 2 2 270.333 -2.151 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237261 780004183 /nfs/dbraw/zinc/00/41/83/780004183.db2.gz KFZANIVQYDOVIE-GHMZBOCLSA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237261 780004186 /nfs/dbraw/zinc/00/41/86/780004186.db2.gz KFZANIVQYDOVIE-GHMZBOCLSA-N 3 2 296.371 -1.889 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001161236843 780004344 /nfs/dbraw/zinc/00/43/44/780004344.db2.gz HAGZYQZTJBGTNY-KXUCPTDWSA-N 2 2 271.317 -2.118 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001161236843 780004350 /nfs/dbraw/zinc/00/43/50/780004350.db2.gz HAGZYQZTJBGTNY-KXUCPTDWSA-N 2 2 271.317 -2.118 20 0 CAADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@H](C)[NH2+]1 ZINC001161229657 780004413 /nfs/dbraw/zinc/00/44/13/780004413.db2.gz PFSXCFITPACTHI-FXQIFTODSA-N 2 2 253.310 -1.722 20 0 CAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001161236592 780004514 /nfs/dbraw/zinc/00/45/14/780004514.db2.gz FXZVGNWVKBYXCR-DTWKUNHWSA-N 2 2 259.306 -1.988 20 0 CAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H](O)C[NH3+] ZINC001161236592 780004521 /nfs/dbraw/zinc/00/45/21/780004521.db2.gz FXZVGNWVKBYXCR-DTWKUNHWSA-N 2 2 259.306 -1.988 20 0 CAADLP CNC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161269153 780005685 /nfs/dbraw/zinc/00/56/85/780005685.db2.gz RFHWZACTILXZBZ-SCZZXKLOSA-N 2 2 269.349 -1.404 20 0 CAADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161295508 780007414 /nfs/dbraw/zinc/00/74/14/780007414.db2.gz KMODHEJWUVUTEE-VWYCJHECSA-N 2 2 283.376 -1.205 20 0 CAADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1CC[NH2+]C1 ZINC001161351812 780008978 /nfs/dbraw/zinc/00/89/78/780008978.db2.gz NQXZOSSSBGDCEX-IUCAKERBSA-N 2 2 267.337 -1.332 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161374543 780009458 /nfs/dbraw/zinc/00/94/58/780009458.db2.gz XMYXPEKHRYTQAU-BPNCWPANSA-N 2 2 297.355 -1.272 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161374544 780009564 /nfs/dbraw/zinc/00/95/64/780009564.db2.gz XMYXPEKHRYTQAU-DDTOSNHZSA-N 2 2 297.355 -1.272 20 0 CAADLP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161374525 780009662 /nfs/dbraw/zinc/00/96/62/780009662.db2.gz WLBJBYLJVDGBCD-HOTUBEGUSA-N 2 2 271.317 -1.676 20 0 CAADLP COC(=O)[C@@]1(C)COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161374534 780009685 /nfs/dbraw/zinc/00/96/85/780009685.db2.gz WYDVPGOQXQQAIG-GFCCVEGCSA-N 2 2 285.344 -1.142 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161374535 780009748 /nfs/dbraw/zinc/00/97/48/780009748.db2.gz WYDVPGOQXQQAIG-LBPRGKRZSA-N 2 2 285.344 -1.142 20 0 CAADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161374466 780009929 /nfs/dbraw/zinc/00/99/29/780009929.db2.gz VNXWVHCNWZQSEN-JYILRKAJSA-N 2 2 297.355 -1.001 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(=O)NC3(CCCC3)C2)C1 ZINC001161416757 780012075 /nfs/dbraw/zinc/01/20/75/780012075.db2.gz JRXHXIDNGFWSND-ZJUUUORDSA-N 2 2 266.345 -1.053 20 0 CAADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423976 780012477 /nfs/dbraw/zinc/01/24/77/780012477.db2.gz VCDSJNLHXFBXQT-FJHFEUQMSA-N 2 2 259.375 -1.001 20 0 CAADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423976 780012487 /nfs/dbraw/zinc/01/24/87/780012487.db2.gz VCDSJNLHXFBXQT-FJHFEUQMSA-N 2 2 259.375 -1.001 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412180 780012672 /nfs/dbraw/zinc/01/26/72/780012672.db2.gz HGCZKPFYOQCWIF-MAUMQABQSA-N 2 2 265.321 -1.735 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424057 780013585 /nfs/dbraw/zinc/01/35/85/780013585.db2.gz XMNZBYBCJRFWEM-STQMWFEESA-N 3 2 281.404 -1.347 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424057 780013594 /nfs/dbraw/zinc/01/35/94/780013594.db2.gz XMNZBYBCJRFWEM-STQMWFEESA-N 3 2 281.404 -1.347 20 0 CAADLP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@@H]1C ZINC001161459288 780013747 /nfs/dbraw/zinc/01/37/47/780013747.db2.gz DNSRFLNYGPCYHQ-XKNYDFJKSA-N 2 2 255.318 -1.199 20 0 CAADLP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161450044 780014075 /nfs/dbraw/zinc/01/40/75/780014075.db2.gz YUSZGBAHFFTCPT-AGIUHOORSA-N 4 2 283.420 -1.325 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C[C@@H]1[NH3+] ZINC001161491947 780017285 /nfs/dbraw/zinc/01/72/85/780017285.db2.gz KDUXCZHAKUANRQ-LYFYHCNISA-N 2 2 255.282 -2.746 20 0 CAADLP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1[NH3+] ZINC001161491848 780017308 /nfs/dbraw/zinc/01/73/08/780017308.db2.gz JAYLOUCPYBTXSP-LPEHRKFASA-N 3 2 253.306 -1.536 20 0 CAADLP C[N@H+](C1CN(C(=O)C2([NH3+])CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498482 780017918 /nfs/dbraw/zinc/01/79/18/780017918.db2.gz JLTGNAXMDNOWAH-NSHDSACASA-N 3 2 282.388 -1.001 20 0 CAADLP C[N@@H+](C1CN(C(=O)C2([NH3+])CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498482 780017928 /nfs/dbraw/zinc/01/79/28/780017928.db2.gz JLTGNAXMDNOWAH-NSHDSACASA-N 3 2 282.388 -1.001 20 0 CAADLP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)CC[C@H]1[NH2+]2 ZINC001161507768 780018092 /nfs/dbraw/zinc/01/80/92/780018092.db2.gz AHEKXPPODNMDFQ-DNJQJEMRSA-N 3 2 266.345 -1.606 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161501156 780019567 /nfs/dbraw/zinc/01/95/67/780019567.db2.gz UCAUGRUMPCVDFF-QWRGUYRKSA-N 3 2 279.344 -1.524 20 0 CAADLP [NH3+][C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CC12COC2 ZINC001161507767 780019652 /nfs/dbraw/zinc/01/96/52/780019652.db2.gz AHDKCSXDGBBNQK-VIFPVBQESA-N 3 2 254.334 -1.747 20 0 CAADLP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC12COC2 ZINC001161510864 780021110 /nfs/dbraw/zinc/02/11/10/780021110.db2.gz UDXDAUQBLWZLHE-MMWGEVLESA-N 3 2 266.345 -1.878 20 0 CAADLP C[NH+]1CC2(CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C2)C1 ZINC001161532730 780021792 /nfs/dbraw/zinc/02/17/92/780021792.db2.gz XHEPEHCOEUQSEF-ZWNOBZJWSA-N 3 2 250.346 -1.288 20 0 CAADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545535 780021862 /nfs/dbraw/zinc/02/18/62/780021862.db2.gz WTOSEKRCTXXXCS-UHFFFAOYSA-N 2 2 252.318 -1.617 20 0 CAADLP COCCOC1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161571982 780022943 /nfs/dbraw/zinc/02/29/43/780022943.db2.gz YFNOPYAZVWVELJ-MFKMUULPSA-N 2 2 269.345 -1.188 20 0 CAADLP COCCOC1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161572033 780023222 /nfs/dbraw/zinc/02/32/22/780023222.db2.gz BAOMTSXXNILPKJ-ZMLRMANQSA-N 2 2 269.345 -1.190 20 0 CAADLP COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161567321 780023286 /nfs/dbraw/zinc/02/32/86/780023286.db2.gz WXDNGJXMOTVLAJ-VWYCJHECSA-N 2 2 285.344 -1.144 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncnc3c2C[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162437688 780036904 /nfs/dbraw/zinc/03/69/04/780036904.db2.gz CPIPNKCPNMOKEA-KKZNHRDASA-N 2 2 262.321 -2.423 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncc3c(n2)C[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162440296 780042235 /nfs/dbraw/zinc/04/22/35/780042235.db2.gz QPEHDXMEYJQZDZ-AEJSXWLSSA-N 2 2 262.321 -2.423 20 0 CAADLP [NH3+][C@@H]1NCN(c2ncc3c(n2)C[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162440303 780042268 /nfs/dbraw/zinc/04/22/68/780042268.db2.gz QPEHDXMEYJQZDZ-OPRDCNLKSA-N 2 2 262.321 -2.423 20 0 CAADLP [NH3+]Cc1nccnc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC001163839069 780061823 /nfs/dbraw/zinc/06/18/23/780061823.db2.gz XUCUYEPXDQATAI-UHFFFAOYSA-N 2 2 262.317 -1.396 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165794386 780089171 /nfs/dbraw/zinc/08/91/71/780089171.db2.gz UMOXUGNUFYMUBL-UHFFFAOYSA-N 2 2 269.353 -1.242 20 0 CAADLP Cn1cc(C[NH+]2CC(C)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206729372 780112763 /nfs/dbraw/zinc/11/27/63/780112763.db2.gz DRRLFSGSKNFXNW-UHFFFAOYSA-N 2 2 252.318 -1.135 20 0 CAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506477 780134391 /nfs/dbraw/zinc/13/43/91/780134391.db2.gz MAVUCWBSKRZEJS-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506477 780134397 /nfs/dbraw/zinc/13/43/97/780134397.db2.gz MAVUCWBSKRZEJS-VXGBXAGGSA-N 2 2 298.387 -1.370 20 0 CAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315165 780139897 /nfs/dbraw/zinc/13/98/97/780139897.db2.gz KTESBOFFOVUEPN-GHMZBOCLSA-N 2 2 286.376 -1.514 20 0 CAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315165 780139903 /nfs/dbraw/zinc/13/99/03/780139903.db2.gz KTESBOFFOVUEPN-GHMZBOCLSA-N 2 2 286.376 -1.514 20 0 CAADLP CO[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374489 780143689 /nfs/dbraw/zinc/14/36/89/780143689.db2.gz IWAVIFDZBPLEHZ-GMTAPVOTSA-N 2 2 286.376 -1.373 20 0 CAADLP CO[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374489 780143693 /nfs/dbraw/zinc/14/36/93/780143693.db2.gz IWAVIFDZBPLEHZ-GMTAPVOTSA-N 2 2 286.376 -1.373 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515961 780167104 /nfs/dbraw/zinc/16/71/04/780167104.db2.gz PFCHPJUWNNOYIQ-ZETCQYMHSA-N 2 2 287.287 -1.010 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515769 780167143 /nfs/dbraw/zinc/16/71/43/780167143.db2.gz LTYRDODZJGOWBN-ZCFIWIBFSA-N 2 2 273.260 -1.021 20 0 CAADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218518915 780168556 /nfs/dbraw/zinc/16/85/56/780168556.db2.gz VMKACMYPBCZAQS-ZETCQYMHSA-N 2 2 281.345 -1.316 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nonc1N ZINC001218542226 780169047 /nfs/dbraw/zinc/16/90/47/780169047.db2.gz MYIXKJANQOZUFR-LURJTMIESA-N 2 2 251.250 -1.106 20 0 CAADLP NC(=O)c1[nH]ncc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218563527 780170082 /nfs/dbraw/zinc/17/00/82/780170082.db2.gz CFPHYWBGJSGXNN-QMMMGPOBSA-N 2 2 295.347 -1.803 20 0 CAADLP Cn1ncc2c1ncnc2NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218557102 780170389 /nfs/dbraw/zinc/17/03/89/780170389.db2.gz GGEOHGBDEQQVDE-SVRRBLITSA-N 2 2 261.289 -1.009 20 0 CAADLP NC(=O)c1n[nH]cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218563507 780170413 /nfs/dbraw/zinc/17/04/13/780170413.db2.gz BZZBLLJRNWXYIB-UHFFFAOYSA-N 2 2 266.305 -1.211 20 0 CAADLP Cc1noc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1C(N)=O ZINC001218552211 780170505 /nfs/dbraw/zinc/17/05/05/780170505.db2.gz ZVNDERYVUBEZSA-RITPCOANSA-N 2 2 253.262 -1.290 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nccnc1N1CCOCC1 ZINC001218571208 780171540 /nfs/dbraw/zinc/17/15/40/780171540.db2.gz SCXDEBMUCINPKH-VIFPVBQESA-N 2 2 280.332 -1.072 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218576008 780171818 /nfs/dbraw/zinc/17/18/18/780171818.db2.gz PCAIUMPODOAQSP-UWVGGRQHSA-N 2 2 292.343 -1.202 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(N)c(=O)c1=O ZINC001218587767 780172918 /nfs/dbraw/zinc/17/29/18/780172918.db2.gz GTUOHRSJXBFFKP-LURJTMIESA-N 2 2 263.257 -1.893 20 0 CAADLP COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218579586 780172991 /nfs/dbraw/zinc/17/29/91/780172991.db2.gz GGJUJYPEAXVCCI-LURJTMIESA-N 2 2 253.262 -1.122 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nccnc1C(N)=O ZINC001218617474 780175589 /nfs/dbraw/zinc/17/55/89/780175589.db2.gz GZRXFPQUYVVMND-QMMMGPOBSA-N 2 2 289.299 -1.183 20 0 CAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218621373 780177109 /nfs/dbraw/zinc/17/71/09/780177109.db2.gz TYNOPEKBILXVKZ-WPRPVWTQSA-N 2 2 292.339 -1.245 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218641950 780178180 /nfs/dbraw/zinc/17/81/80/780178180.db2.gz ZBLIPSCYZUSOMJ-XCBNKYQSSA-N 3 2 250.306 -1.345 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640490 780178645 /nfs/dbraw/zinc/17/86/45/780178645.db2.gz IFSVWCDHGKLQSL-QMMMGPOBSA-N 2 2 277.292 -1.951 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218669228 780179794 /nfs/dbraw/zinc/17/97/94/780179794.db2.gz NWXVCIZULBJBCU-LBPRGKRZSA-N 2 2 296.375 -1.170 20 0 CAADLP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c1 ZINC001218704336 780182818 /nfs/dbraw/zinc/18/28/18/780182818.db2.gz OZQZXHFNMMVVBA-QMMMGPOBSA-N 2 2 262.277 -1.438 20 0 CAADLP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218742508 780183352 /nfs/dbraw/zinc/18/33/52/780183352.db2.gz GNJSSRGRBXIASD-VDTYLAMSSA-N 2 2 270.724 -1.021 20 0 CAADLP CCc1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C(N)=O)nn1C ZINC001218787492 780184267 /nfs/dbraw/zinc/18/42/67/780184267.db2.gz DRTXURYIYGHMGA-BQBZGAKWSA-N 2 2 280.332 -1.433 20 0 CAADLP NS(=O)(=O)c1cncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218750899 780184386 /nfs/dbraw/zinc/18/43/86/780184386.db2.gz MKHOWPYMOOAZQP-MUWHJKNJSA-N 2 2 285.329 -1.643 20 0 CAADLP CNC(=O)c1cccnc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218764990 780184995 /nfs/dbraw/zinc/18/49/95/780184995.db2.gz QAFHNQODMWGJLW-IUCAKERBSA-N 2 2 263.301 -1.074 20 0 CAADLP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218914148 780186392 /nfs/dbraw/zinc/18/63/92/780186392.db2.gz RFKJFPVWDAOAAD-CBAPKCEASA-N 2 2 299.356 -1.599 20 0 CAADLP Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219417239 780220169 /nfs/dbraw/zinc/22/01/69/780220169.db2.gz JSLQETCQTQQNDG-XVKPBYJWSA-N 2 2 296.352 -1.008 20 0 CAADLP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001219554082 780230985 /nfs/dbraw/zinc/23/09/85/780230985.db2.gz VEGGVAZVURNXHT-QMMMGPOBSA-N 2 2 255.326 -1.473 20 0 CAADLP O=C(NCCn1ccnn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219565911 780231487 /nfs/dbraw/zinc/23/14/87/780231487.db2.gz PRPDRPBRKFGGKJ-MWLCHTKSSA-N 2 2 250.306 -1.654 20 0 CAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCn1cc[nH+]c1 ZINC001219563725 780231723 /nfs/dbraw/zinc/23/17/23/780231723.db2.gz JSBJTRFEMDDPAD-LBPRGKRZSA-N 3 2 280.376 -1.250 20 0 CAADLP O=C(NCCn1ccnn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219565909 780232353 /nfs/dbraw/zinc/23/23/53/780232353.db2.gz PRPDRPBRKFGGKJ-GXSJLCMTSA-N 2 2 250.306 -1.654 20 0 CAADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219563574 780232756 /nfs/dbraw/zinc/23/27/56/780232756.db2.gz ASPVFAFCCXGJLR-SECBINFHSA-N 2 2 268.321 -1.225 20 0 CAADLP O=C(CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)N1CCOCC1 ZINC001219573680 780233331 /nfs/dbraw/zinc/23/33/31/780233331.db2.gz QURWCPRAGGFVIC-BXUZGUMPSA-N 2 2 296.371 -1.697 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219572932 780234172 /nfs/dbraw/zinc/23/41/72/780234172.db2.gz CHDOOVWKYHJGES-LLVKDONJSA-N 2 2 295.343 -1.355 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219593836 780235418 /nfs/dbraw/zinc/23/54/18/780235418.db2.gz LVRDDFFRZYFLCA-UHFFFAOYSA-N 3 2 278.378 -1.925 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219595591 780235470 /nfs/dbraw/zinc/23/54/70/780235470.db2.gz HBMLQNGPDKBPNV-QMMMGPOBSA-N 3 2 266.367 -1.810 20 0 CAADLP Cn1c[nH+]cc1C[C@H](N)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593809 780235488 /nfs/dbraw/zinc/23/54/88/780235488.db2.gz KSDHPIFCQQBCOC-VIFPVBQESA-N 2 2 289.361 -1.963 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219595653 780235510 /nfs/dbraw/zinc/23/55/10/780235510.db2.gz JSFFGVMQHRCIOF-VIFPVBQESA-N 3 2 278.378 -1.940 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219593821 780235568 /nfs/dbraw/zinc/23/55/68/780235568.db2.gz LGHFVRUMPJTQTD-MRTMQBJTSA-N 3 2 276.362 -2.045 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595896 780236683 /nfs/dbraw/zinc/23/66/83/780236683.db2.gz VABWEOCDMIJLCE-LURJTMIESA-N 2 2 267.307 -2.376 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611562 780238600 /nfs/dbraw/zinc/23/86/00/780238600.db2.gz ZWTYZNRFVHMCQS-YLWLKBPMSA-N 2 2 293.253 -1.520 20 0 CAADLP CS(=O)(=O)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219607789 780238826 /nfs/dbraw/zinc/23/88/26/780238826.db2.gz ANRWPONNJMODGU-MRTMQBJTSA-N 2 2 261.347 -1.631 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617092 780240227 /nfs/dbraw/zinc/24/02/27/780240227.db2.gz ITOCFKGWHRWWQF-WCQYABFASA-N 3 2 288.367 -1.493 20 0 CAADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cnc2n1CC[NH2+]C2 ZINC001219628506 780243452 /nfs/dbraw/zinc/24/34/52/780243452.db2.gz WVKVVKOAAFVHLI-GXFFZTMASA-N 2 2 297.334 -1.221 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635534 780243594 /nfs/dbraw/zinc/24/35/94/780243594.db2.gz KXPYEMXPHNGXJG-ACZMJKKPSA-N 2 2 257.273 -2.114 20 0 CAADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219632477 780244114 /nfs/dbraw/zinc/24/41/14/780244114.db2.gz NNUPVGMGZDOLLZ-NSHDSACASA-N 3 2 263.345 -1.112 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCN1CCCCO1 ZINC001219632842 780244235 /nfs/dbraw/zinc/24/42/35/780244235.db2.gz QWMABGFHEGWHFX-ZDUSSCGKSA-N 2 2 299.419 -1.120 20 0 CAADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001219641581 780245215 /nfs/dbraw/zinc/24/52/15/780245215.db2.gz JDURMBISEVOPCN-QWRGUYRKSA-N 2 2 268.361 -1.220 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219960992 780283377 /nfs/dbraw/zinc/28/33/77/780283377.db2.gz FCTCOGPFSZFTOQ-BQBZGAKWSA-N 2 2 250.324 -2.802 20 0 CAADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219642262 780245397 /nfs/dbraw/zinc/24/53/97/780245397.db2.gz QUGMVCKYCRMGDQ-VGMNWLOBSA-N 2 2 267.337 -1.569 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219669112 780245656 /nfs/dbraw/zinc/24/56/56/780245656.db2.gz LPAJZMXMYALWBN-WPRPVWTQSA-N 2 2 286.357 -1.407 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219693967 780245964 /nfs/dbraw/zinc/24/59/64/780245964.db2.gz BOYWTZQMWVJLNH-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219693967 780245968 /nfs/dbraw/zinc/24/59/68/780245968.db2.gz BOYWTZQMWVJLNH-UWVGGRQHSA-N 2 2 273.333 -1.286 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678266 780247354 /nfs/dbraw/zinc/24/73/54/780247354.db2.gz IVBRWUPHBKUNRB-VIFPVBQESA-N 3 2 293.393 -2.986 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671830 780247506 /nfs/dbraw/zinc/24/75/06/780247506.db2.gz RMMLGZKAJWYPRA-SNVBAGLBSA-N 2 2 275.374 -1.369 20 0 CAADLP C[C@@H]1C[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C[NH2+]1 ZINC001219684773 780248610 /nfs/dbraw/zinc/24/86/10/780248610.db2.gz RXAJVHJEARJKCB-NQBHXWOUSA-N 3 2 283.420 -1.149 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219694063 780248652 /nfs/dbraw/zinc/24/86/52/780248652.db2.gz FJDPYSSMHLSCTL-JTQLQIEISA-N 3 2 267.333 -1.870 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219695578 780249935 /nfs/dbraw/zinc/24/99/35/780249935.db2.gz WVDFLCYPBWJTEU-ZYHUDNBSSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(N)CCC[NH2+]C2)C1 ZINC001219695578 780249936 /nfs/dbraw/zinc/24/99/36/780249936.db2.gz WVDFLCYPBWJTEU-ZYHUDNBSSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695473 780249947 /nfs/dbraw/zinc/24/99/47/780249947.db2.gz USTZOBWWOZKJSR-WDEREUQCSA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695473 780249949 /nfs/dbraw/zinc/24/99/49/780249949.db2.gz USTZOBWWOZKJSR-WDEREUQCSA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219694939 780249982 /nfs/dbraw/zinc/24/99/82/780249982.db2.gz NYOBPBOZEACOQG-WHOHXGKFSA-N 2 2 268.361 -1.617 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001219694939 780249985 /nfs/dbraw/zinc/24/99/85/780249985.db2.gz NYOBPBOZEACOQG-WHOHXGKFSA-N 2 2 268.361 -1.617 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695234 780250068 /nfs/dbraw/zinc/25/00/68/780250068.db2.gz RUKPYRZGNORIFX-STQMWFEESA-N 3 2 299.419 -1.816 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695234 780250073 /nfs/dbraw/zinc/25/00/73/780250073.db2.gz RUKPYRZGNORIFX-STQMWFEESA-N 3 2 299.419 -1.816 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697033 780250151 /nfs/dbraw/zinc/25/01/51/780250151.db2.gz PAOQXEZAMNOBNW-NSHDSACASA-N 3 2 285.392 -2.423 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695254 780250306 /nfs/dbraw/zinc/25/03/06/780250306.db2.gz SKOGGJONBJKWIK-SECBINFHSA-N 3 2 253.306 -1.880 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695232 780250324 /nfs/dbraw/zinc/25/03/24/780250324.db2.gz RUKPYRZGNORIFX-OLZOCXBDSA-N 3 2 299.419 -1.816 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695232 780250329 /nfs/dbraw/zinc/25/03/29/780250329.db2.gz RUKPYRZGNORIFX-OLZOCXBDSA-N 3 2 299.419 -1.816 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219694552 780250663 /nfs/dbraw/zinc/25/06/63/780250663.db2.gz KOZNARBZVGIMFL-JTQLQIEISA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219694552 780250671 /nfs/dbraw/zinc/25/06/71/780250671.db2.gz KOZNARBZVGIMFL-JTQLQIEISA-N 2 2 256.350 -1.486 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694956 780250912 /nfs/dbraw/zinc/25/09/12/780250912.db2.gz OILGVNCYMWEDHB-ZJUUUORDSA-N 2 2 259.306 -1.676 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694956 780250920 /nfs/dbraw/zinc/25/09/20/780250920.db2.gz OILGVNCYMWEDHB-ZJUUUORDSA-N 2 2 259.306 -1.676 20 0 CAADLP C[N@@H+]1CCO[C@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219694554 780251028 /nfs/dbraw/zinc/25/10/28/780251028.db2.gz KOZNARBZVGIMFL-SNVBAGLBSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@H+]1CCO[C@H](CNC(=O)C2(N)CC[NH2+]CC2)C1 ZINC001219694554 780251036 /nfs/dbraw/zinc/25/10/36/780251036.db2.gz KOZNARBZVGIMFL-SNVBAGLBSA-N 2 2 256.350 -1.486 20 0 CAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695472 780251111 /nfs/dbraw/zinc/25/11/11/780251111.db2.gz USTZOBWWOZKJSR-QWRGUYRKSA-N 3 2 268.361 -1.758 20 0 CAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695472 780251118 /nfs/dbraw/zinc/25/11/18/780251118.db2.gz USTZOBWWOZKJSR-QWRGUYRKSA-N 3 2 268.361 -1.758 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711268 780251727 /nfs/dbraw/zinc/25/17/27/780251727.db2.gz BXBBDBIDFZRQGK-IVZWLZJFSA-N 3 2 253.306 -2.261 20 0 CAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714226 780252222 /nfs/dbraw/zinc/25/22/22/780252222.db2.gz IUACWTVMFUOHID-QJPTWQEYSA-N 3 2 264.329 -1.292 20 0 CAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714225 780252413 /nfs/dbraw/zinc/25/24/13/780252413.db2.gz IUACWTVMFUOHID-IJLUTSLNSA-N 3 2 264.329 -1.292 20 0 CAADLP CS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nc1 ZINC001219716184 780252612 /nfs/dbraw/zinc/25/26/12/780252612.db2.gz DOJIEGTXLWMTSK-QWRGUYRKSA-N 2 2 298.368 -1.352 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736928 780254930 /nfs/dbraw/zinc/25/49/30/780254930.db2.gz LCMVLPZMZNLTKE-YUMQZZPRSA-N 2 2 281.320 -2.436 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737239 780255214 /nfs/dbraw/zinc/25/52/14/780255214.db2.gz QZQFEEGIDLTRAN-BDAKNGLRSA-N 2 2 271.317 -1.629 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737554 780255262 /nfs/dbraw/zinc/25/52/62/780255262.db2.gz YZKMHYOGVPJUKL-UTLUCORTSA-N 3 2 254.334 -1.830 20 0 CAADLP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219736922 780255368 /nfs/dbraw/zinc/25/53/68/780255368.db2.gz LAWJJPMOJHKVBV-WHOHXGKFSA-N 3 2 280.372 -1.569 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737510 780255400 /nfs/dbraw/zinc/25/54/00/780255400.db2.gz XWGVRGYNSXTCFA-MNOVXSKESA-N 3 2 279.344 -1.226 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219749826 780257413 /nfs/dbraw/zinc/25/74/13/780257413.db2.gz RBWHGCVEWPVSRS-BDAKNGLRSA-N 3 2 279.348 -1.923 20 0 CAADLP [NH3+][C@H]1CN[C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219749826 780257415 /nfs/dbraw/zinc/25/74/15/780257415.db2.gz RBWHGCVEWPVSRS-BDAKNGLRSA-N 2 2 279.348 -1.923 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764447 780259637 /nfs/dbraw/zinc/25/96/37/780259637.db2.gz FXEQJKLXYVVYTQ-WOPDTQHZSA-N 2 2 284.360 -1.713 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764447 780259640 /nfs/dbraw/zinc/25/96/40/780259640.db2.gz FXEQJKLXYVVYTQ-WOPDTQHZSA-N 2 2 284.360 -1.713 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764447 780259645 /nfs/dbraw/zinc/25/96/45/780259645.db2.gz FXEQJKLXYVVYTQ-WOPDTQHZSA-N 2 2 284.360 -1.713 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768964 780259834 /nfs/dbraw/zinc/25/98/34/780259834.db2.gz RRYWOPVRSRPEHB-XVKPBYJWSA-N 2 2 271.300 -1.723 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768963 780261442 /nfs/dbraw/zinc/26/14/42/780261442.db2.gz RRYWOPVRSRPEHB-OIBJUYFYSA-N 2 2 271.300 -1.723 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796122 780261758 /nfs/dbraw/zinc/26/17/58/780261758.db2.gz NEEBXCNCYDYHQV-ZDUSSCGKSA-N 4 2 283.420 -1.005 20 0 CAADLP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219801247 780262086 /nfs/dbraw/zinc/26/20/86/780262086.db2.gz WMCCUVAKLOVEHO-TYNCELHUSA-N 3 2 294.399 -1.177 20 0 CAADLP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219801246 780262276 /nfs/dbraw/zinc/26/22/76/780262276.db2.gz WMCCUVAKLOVEHO-LALPHHSUSA-N 3 2 294.399 -1.177 20 0 CAADLP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219812905 780262977 /nfs/dbraw/zinc/26/29/77/780262977.db2.gz KOVIMGHWZFNURD-UVLXDEKHSA-N 3 2 280.372 -1.710 20 0 CAADLP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219812904 780263026 /nfs/dbraw/zinc/26/30/26/780263026.db2.gz KOVIMGHWZFNURD-IMIFBBOLSA-N 3 2 280.372 -1.710 20 0 CAADLP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219801248 780263282 /nfs/dbraw/zinc/26/32/82/780263282.db2.gz WMCCUVAKLOVEHO-XUJVJEKNSA-N 3 2 294.399 -1.177 20 0 CAADLP N[C@@H](C[NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805677 780263386 /nfs/dbraw/zinc/26/33/86/780263386.db2.gz BOAULBBLRZVCBD-VIFPVBQESA-N 2 2 280.332 -2.361 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811581 780263429 /nfs/dbraw/zinc/26/34/29/780263429.db2.gz WBNPKACPAOIKDQ-QMMMGPOBSA-N 3 2 253.306 -1.387 20 0 CAADLP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219831496 780263949 /nfs/dbraw/zinc/26/39/49/780263949.db2.gz NDJXMINTBQLBOV-GHMOJZLGSA-N 3 2 280.372 -1.569 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831682 780264027 /nfs/dbraw/zinc/26/40/27/780264027.db2.gz UIPMCLRCQCNBAV-YJQGPUDQSA-N 3 2 279.344 -1.227 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219815171 780264168 /nfs/dbraw/zinc/26/41/68/780264168.db2.gz UJXUZWHGERFOOJ-GMOBBJLQSA-N 3 2 254.334 -1.972 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831224 780264452 /nfs/dbraw/zinc/26/44/52/780264452.db2.gz CAGOLQKHGZPLBP-UVOCVTCTSA-N 3 2 254.334 -1.974 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813100 780264759 /nfs/dbraw/zinc/26/47/59/780264759.db2.gz OAZHNRRFIVNWQB-GAFUQQFSSA-N 3 2 279.344 -1.368 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831816 780265168 /nfs/dbraw/zinc/26/51/68/780265168.db2.gz ZAMMWTUGKGQTNN-APLZJWDSSA-N 3 2 254.334 -1.831 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837059 780265807 /nfs/dbraw/zinc/26/58/07/780265807.db2.gz HCBVEGOOOYRZSM-NRWUCQMLSA-N 3 2 298.387 -1.813 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837056 780266337 /nfs/dbraw/zinc/26/63/37/780266337.db2.gz HCBVEGOOOYRZSM-KZVDOYCCSA-N 3 2 298.387 -1.813 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837058 780266531 /nfs/dbraw/zinc/26/65/31/780266531.db2.gz HCBVEGOOOYRZSM-NMKXLXIOSA-N 3 2 298.387 -1.813 20 0 CAADLP [NH3+]C1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH2+]CC1 ZINC001219847705 780267220 /nfs/dbraw/zinc/26/72/20/780267220.db2.gz PNKGZGBAFOTCPE-GARJFASQSA-N 3 2 268.361 -1.297 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839215 780267566 /nfs/dbraw/zinc/26/75/66/780267566.db2.gz YFJIZDCIWIDBHH-OWTLIXCDSA-N 3 2 298.387 -1.956 20 0 CAADLP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219847623 780267586 /nfs/dbraw/zinc/26/75/86/780267586.db2.gz MZTBNSCJAOWUSI-LARJDALCSA-N 3 2 280.372 -1.427 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839214 780267671 /nfs/dbraw/zinc/26/76/71/780267671.db2.gz YFJIZDCIWIDBHH-MNXVOIDGSA-N 3 2 298.387 -1.956 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847788 780267990 /nfs/dbraw/zinc/26/79/90/780267990.db2.gz SFRUUYAKHNQCLL-NOOOWODRSA-N 3 2 279.344 -1.085 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219847257 780268082 /nfs/dbraw/zinc/26/80/82/780268082.db2.gz BAXPFHKQRXFKQD-ORMBPQIASA-N 3 2 254.334 -1.689 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219847256 780268103 /nfs/dbraw/zinc/26/81/03/780268103.db2.gz BAXPFHKQRXFKQD-AJBSGBCOSA-N 3 2 254.334 -1.689 20 0 CAADLP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219847624 780268726 /nfs/dbraw/zinc/26/87/26/780268726.db2.gz MZTBNSCJAOWUSI-OIRVYTLQSA-N 3 2 280.372 -1.427 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851713 780269517 /nfs/dbraw/zinc/26/95/17/780269517.db2.gz BPCGPYSEXPNRNS-UHFZAUJKSA-N 3 2 268.361 -1.584 20 0 CAADLP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219854753 780269612 /nfs/dbraw/zinc/26/96/12/780269612.db2.gz SXQKECUMSDFSKE-GUWRXMSHSA-N 3 2 266.345 -1.961 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H](C)O ZINC001219879415 780271256 /nfs/dbraw/zinc/27/12/56/780271256.db2.gz FXXQGQXVTGOHAA-YOESCMDLSA-N 2 2 271.317 -1.753 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H](C)O ZINC001219879350 780271808 /nfs/dbraw/zinc/27/18/08/780271808.db2.gz DKCCEJNZSOQUSB-KZFFXBSXSA-N 2 2 271.317 -2.024 20 0 CAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)CO)cc1 ZINC001219865147 780271999 /nfs/dbraw/zinc/27/19/99/780271999.db2.gz BVANBDKIEJSTDU-GHMZBOCLSA-N 2 2 253.302 -1.272 20 0 CAADLP Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)OCC2 ZINC001219887692 780272372 /nfs/dbraw/zinc/27/23/72/780272372.db2.gz GTPXYXUYANFDAO-OUAUKWLOSA-N 2 2 279.344 -1.161 20 0 CAADLP CCOC(=O)CC(=N)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219882390 780272891 /nfs/dbraw/zinc/27/28/91/780272891.db2.gz FJLHYTCZFZBTCR-QPUJVOFHSA-N 2 2 268.317 -1.015 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219889864 780274543 /nfs/dbraw/zinc/27/45/43/780274543.db2.gz BXDHFCQIBCGKLT-UVLXDEKHSA-N 2 2 278.356 -1.325 20 0 CAADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001219891680 780275995 /nfs/dbraw/zinc/27/59/95/780275995.db2.gz YLNVKNDTWXSTHY-GMOBBJLQSA-N 2 2 252.318 -1.730 20 0 CAADLP O=C(N[C@H]1SC(=O)NC1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219904691 780277201 /nfs/dbraw/zinc/27/72/01/780277201.db2.gz ZHBMLXSNKNAJNF-XNCJUZBTSA-N 2 2 270.314 -1.779 20 0 CAADLP O=C(N[C@H]1SC(=O)NC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219904692 780277355 /nfs/dbraw/zinc/27/73/55/780277355.db2.gz ZHBMLXSNKNAJNF-XRGYYRRGSA-N 2 2 270.314 -1.779 20 0 CAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945568 780279387 /nfs/dbraw/zinc/27/93/87/780279387.db2.gz MZMRLCVEORIGEE-JTQLQIEISA-N 2 2 273.358 -1.245 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959415 780280820 /nfs/dbraw/zinc/28/08/20/780280820.db2.gz UFYHIIZOXUILFL-QWRGUYRKSA-N 2 2 283.376 -1.868 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959414 780280857 /nfs/dbraw/zinc/28/08/57/780280857.db2.gz UFYHIIZOXUILFL-MNOVXSKESA-N 2 2 283.376 -1.868 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959364 780281282 /nfs/dbraw/zinc/28/12/82/780281282.db2.gz RSCJHXDSCQGWDC-IONNQARKSA-N 2 2 251.290 -1.326 20 0 CAADLP O=C(NC[C@H]1CCC(=O)N1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219959208 780281571 /nfs/dbraw/zinc/28/15/71/780281571.db2.gz MTIMKXXEOOAINS-LNLATYFQSA-N 2 2 252.318 -1.667 20 0 CAADLP CNS(=O)(=O)CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219961122 780282279 /nfs/dbraw/zinc/28/22/79/780282279.db2.gz FWSBIKTUHLMUFX-UHFFFAOYSA-N 2 2 264.351 -2.267 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C2(N)CC[NH2+]CC2)C[NH2+]1 ZINC001219965290 780282349 /nfs/dbraw/zinc/28/23/49/780282349.db2.gz HUNDCKWUYWUFCL-BDAKNGLRSA-N 2 2 270.333 -1.913 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C[NH2+]1 ZINC001219967894 780282384 /nfs/dbraw/zinc/28/23/84/780282384.db2.gz NUTUOBUFCGMHOF-UTLUCORTSA-N 2 2 271.317 -1.615 20 0 CAADLP CNS(=O)(=O)CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219961427 780282458 /nfs/dbraw/zinc/28/24/58/780282458.db2.gz KHSVDIQWACGUDI-MRVPVSSYSA-N 2 2 275.334 -2.055 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C[NH2+]1 ZINC001219965437 780282984 /nfs/dbraw/zinc/28/29/84/780282984.db2.gz NREIPNNEJGPPQU-PFOINOEHSA-N 2 2 299.371 -1.116 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219968027 780283854 /nfs/dbraw/zinc/28/38/54/780283854.db2.gz SRVNHKKWKYQRLR-ONGXEEELSA-N 2 2 292.343 -1.082 20 0 CAADLP [NH3+]C1(C(=O)NCCCc2c[nH][nH]c2=O)CC[NH2+]CC1 ZINC001219969646 780284387 /nfs/dbraw/zinc/28/43/87/780284387.db2.gz IBRPQILGXMNBSY-VIFPVBQESA-N 2 2 267.333 -1.305 20 0 CAADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219965682 780284633 /nfs/dbraw/zinc/28/46/33/780284633.db2.gz WYTCWHASPGGPCI-VWYCJHECSA-N 3 2 286.376 -1.277 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[NH2+]CCC[NH3+])C[NH2+]1 ZINC001219967641 780284714 /nfs/dbraw/zinc/28/47/14/780284714.db2.gz DEZDHUBIAWMNGN-BDAKNGLRSA-N 3 2 258.322 -2.056 20 0 CAADLP O=C(NCCCc1c[nH][nH]c1=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219968320 780284785 /nfs/dbraw/zinc/28/47/85/780284785.db2.gz ZSLLEXDZVYQHRP-KWBADKCTSA-N 2 2 279.344 -1.434 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]1 ZINC001219967655 780284822 /nfs/dbraw/zinc/28/48/22/780284822.db2.gz DMYAZBMKDOZOAC-VWYCJHECSA-N 3 2 284.360 -1.667 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[NH2+]1 ZINC001219967979 780284860 /nfs/dbraw/zinc/28/48/60/780284860.db2.gz REAJUHJOECLNBW-UTLUCORTSA-N 2 2 298.343 -2.044 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C[NH2+]1 ZINC001219968084 780284997 /nfs/dbraw/zinc/28/49/97/780284997.db2.gz VFYDTRSGPREZMG-AXFHLTTASA-N 3 2 286.376 -1.148 20 0 CAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCCc2c[nH][nH]c2=O)C1 ZINC001219969534 780285103 /nfs/dbraw/zinc/28/51/03/780285103.db2.gz DHZULPXOZQIELE-YIZRAAEISA-N 2 2 253.306 -1.696 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2)C[NH2+]1 ZINC001219967784 780285123 /nfs/dbraw/zinc/28/51/23/780285123.db2.gz JTNPPTCFBWBNHM-VGMNWLOBSA-N 2 2 256.306 -2.433 20 0 CAADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219978041 780286040 /nfs/dbraw/zinc/28/60/40/780286040.db2.gz ATVDJAXKNRMNEU-UWVGGRQHSA-N 2 2 281.364 -1.082 20 0 CAADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219978041 780286046 /nfs/dbraw/zinc/28/60/46/780286046.db2.gz ATVDJAXKNRMNEU-UWVGGRQHSA-N 2 2 281.364 -1.082 20 0 CAADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219978042 780286476 /nfs/dbraw/zinc/28/64/76/780286476.db2.gz ATVDJAXKNRMNEU-ZJUUUORDSA-N 2 2 281.364 -1.082 20 0 CAADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219978042 780286483 /nfs/dbraw/zinc/28/64/83/780286483.db2.gz ATVDJAXKNRMNEU-ZJUUUORDSA-N 2 2 281.364 -1.082 20 0 CAADLP COC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC[NH2+]CC1 ZINC001220001663 780287495 /nfs/dbraw/zinc/28/74/95/780287495.db2.gz VVAJZXYYIZVIKX-GARJFASQSA-N 3 2 296.371 -1.652 20 0 CAADLP Cn1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984796 780288355 /nfs/dbraw/zinc/28/83/55/780288355.db2.gz ZIEQQARYCIXFIB-WHFBIAKZSA-N 2 2 282.260 -1.631 20 0 CAADLP CN1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1=O ZINC001220007560 780289438 /nfs/dbraw/zinc/28/94/38/780289438.db2.gz PDVAMFHJMRVUEL-OPQQBVKSSA-N 2 2 266.345 -1.325 20 0 CAADLP CN1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1=O ZINC001220007557 780289701 /nfs/dbraw/zinc/28/97/01/780289701.db2.gz PDVAMFHJMRVUEL-BREBYQMCSA-N 2 2 266.345 -1.325 20 0 CAADLP CN1C[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCC1=O ZINC001220007034 780289722 /nfs/dbraw/zinc/28/97/22/780289722.db2.gz HQOVOOHXYUFZBN-WTBMIXGQSA-N 2 2 266.345 -1.055 20 0 CAADLP CN1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC1=O ZINC001220007644 780289825 /nfs/dbraw/zinc/28/98/25/780289825.db2.gz RRJRIKUOUGCGRM-XWLWVQCSSA-N 2 2 266.345 -1.327 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(CO)CCOCC1 ZINC001220016290 780290463 /nfs/dbraw/zinc/29/04/63/780290463.db2.gz JSIFTNGTJNUIAF-JTQLQIEISA-N 2 2 268.317 -1.063 20 0 CAADLP [NH3+]C1(C(=O)NC2(CO)CCOCC2)CC[NH2+]CC1 ZINC001220018457 780290802 /nfs/dbraw/zinc/29/08/02/780290802.db2.gz DUSQIWJXBBNARA-UHFFFAOYSA-N 2 2 257.334 -1.275 20 0 CAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC2C[NH+](C)C2)COC1(C)C ZINC001220013043 780291162 /nfs/dbraw/zinc/29/11/62/780291162.db2.gz HABWZBLZSFBETG-WPRPVWTQSA-N 2 2 284.360 -1.273 20 0 CAADLP C[NH+]1CC(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001220013276 780291226 /nfs/dbraw/zinc/29/12/26/780291226.db2.gz OQIRBXRQUAUQIZ-JTQLQIEISA-N 2 2 286.376 -1.325 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCOC1 ZINC001220020508 780291305 /nfs/dbraw/zinc/29/13/05/780291305.db2.gz LJNBVDGZRHIPFL-CMPLNLGQSA-N 2 2 270.377 -1.111 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCOC1 ZINC001220020510 780292958 /nfs/dbraw/zinc/29/29/58/780292958.db2.gz LJNBVDGZRHIPFL-PWSUYJOCSA-N 2 2 270.377 -1.111 20 0 CAADLP COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CCOCC1 ZINC001220025380 780293374 /nfs/dbraw/zinc/29/33/74/780293374.db2.gz MWXBYFDJTUODMG-VWYCJHECSA-N 2 2 285.344 -1.240 20 0 CAADLP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(N)=O ZINC001220033170 780295613 /nfs/dbraw/zinc/29/56/13/780295613.db2.gz JLGCMLHGNMVNQZ-PRHODGIISA-N 2 2 254.334 -1.434 20 0 CAADLP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(N)=O ZINC001220033169 780295751 /nfs/dbraw/zinc/29/57/51/780295751.db2.gz JLGCMLHGNMVNQZ-PELKAZGASA-N 2 2 254.334 -1.434 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(C)(C)C(N)=O ZINC001220033359 780295842 /nfs/dbraw/zinc/29/58/42/780295842.db2.gz LGEFWYXAJGZOJV-VIFPVBQESA-N 2 2 267.333 -1.082 20 0 CAADLP C[NH2+]CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001220051044 780297078 /nfs/dbraw/zinc/29/70/78/780297078.db2.gz DVSNHOFGSLZFGS-SNVBAGLBSA-N 2 2 253.306 -1.208 20 0 CAADLP C[NH2+]CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001220051044 780297083 /nfs/dbraw/zinc/29/70/83/780297083.db2.gz DVSNHOFGSLZFGS-SNVBAGLBSA-N 2 2 253.306 -1.208 20 0 CAADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220043342 780297323 /nfs/dbraw/zinc/29/73/23/780297323.db2.gz OAOCSRLBAYZWQD-ZETCQYMHSA-N 2 2 277.292 -2.147 20 0 CAADLP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220045411 780297528 /nfs/dbraw/zinc/29/75/28/780297528.db2.gz YNHYFKLQHQVIKJ-ZETCQYMHSA-N 2 2 262.277 -1.850 20 0 CAADLP N=C(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)SCC[NH3+] ZINC001220106047 780304861 /nfs/dbraw/zinc/30/48/61/780304861.db2.gz ABEZCMFLYUYXCK-XVKPBYJWSA-N 3 2 257.363 -1.319 20 0 CAADLP CCOC(=O)C(F)(F)CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220097238 780302742 /nfs/dbraw/zinc/30/27/42/780302742.db2.gz SRHGJBNXKCSIMW-BQBZGAKWSA-N 2 2 265.260 -1.152 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220105878 780303763 /nfs/dbraw/zinc/30/37/63/780303763.db2.gz PCXFJWNDYBPKHZ-MNOVXSKESA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220105878 780303771 /nfs/dbraw/zinc/30/37/71/780303771.db2.gz PCXFJWNDYBPKHZ-MNOVXSKESA-N 2 2 268.317 -1.573 20 0 CAADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)SCC[NH3+] ZINC001220106045 780304880 /nfs/dbraw/zinc/30/48/80/780304880.db2.gz ABEZCMFLYUYXCK-OIBJUYFYSA-N 3 2 257.363 -1.319 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220109768 780305681 /nfs/dbraw/zinc/30/56/81/780305681.db2.gz JBCVLPMUUFPWOQ-JTQLQIEISA-N 2 2 270.333 -1.461 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220109588 780305804 /nfs/dbraw/zinc/30/58/04/780305804.db2.gz FEMYWPDCGSRMLQ-BXKDBHETSA-N 2 2 257.334 -1.813 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220110058 780306116 /nfs/dbraw/zinc/30/61/16/780306116.db2.gz QAQKOLQXMCCUCD-SECBINFHSA-N 2 2 256.306 -1.471 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220118312 780306230 /nfs/dbraw/zinc/30/62/30/780306230.db2.gz WCMNKDFSQRZXRY-WXHSDQCUSA-N 2 2 279.340 -1.042 20 0 CAADLP CCC(CO)(CO)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220110213 780306428 /nfs/dbraw/zinc/30/64/28/780306428.db2.gz YJSCGTYPFSUYNO-LNLATYFQSA-N 2 2 257.334 -1.542 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220145930 780307210 /nfs/dbraw/zinc/30/72/10/780307210.db2.gz WUPQKYNXDDSDAZ-SVRRBLITSA-N 2 2 262.335 -2.564 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@H](C)OC1 ZINC001220138729 780309872 /nfs/dbraw/zinc/30/98/72/780309872.db2.gz FBTMXBYHFJUEJQ-NRPADANISA-N 2 2 283.328 -1.115 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H](C)OC1 ZINC001220138730 780309908 /nfs/dbraw/zinc/30/99/08/780309908.db2.gz FBTMXBYHFJUEJQ-WEDXCCLWSA-N 2 2 283.328 -1.115 20 0 CAADLP [NH3+]CC[C@H]([NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143795 780310782 /nfs/dbraw/zinc/31/07/82/780310782.db2.gz VSGHFKRELFSVOD-QMMMGPOBSA-N 2 2 261.347 -1.644 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220143595 780311336 /nfs/dbraw/zinc/31/13/36/780311336.db2.gz OGZQMUQRHQVCFN-QWRGUYRKSA-N 2 2 289.401 -1.136 20 0 CAADLP CS(=O)(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220145975 780312129 /nfs/dbraw/zinc/31/21/29/780312129.db2.gz YGFNSVYPGOACFZ-KWQFWETISA-N 2 2 288.373 -2.302 20 0 CAADLP O=C(NC1CC(CO)(CO)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220151757 780312469 /nfs/dbraw/zinc/31/24/69/780312469.db2.gz GJHJJMBPUVFXFF-INTQDDNPSA-N 2 2 269.345 -1.814 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220152228 780312933 /nfs/dbraw/zinc/31/29/33/780312933.db2.gz ZGIPFBGBUCKHKV-NSHDSACASA-N 2 2 282.344 -1.461 20 0 CAADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159990 780313732 /nfs/dbraw/zinc/31/37/32/780313732.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 3 2 283.420 -1.053 20 0 CAADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159990 780313733 /nfs/dbraw/zinc/31/37/33/780313733.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 3 2 283.420 -1.053 20 0 CAADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001220159990 780313741 /nfs/dbraw/zinc/31/37/41/780313741.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 3 2 283.420 -1.053 20 0 CAADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001220159990 780313748 /nfs/dbraw/zinc/31/37/48/780313748.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 3 2 283.420 -1.053 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220172801 780315804 /nfs/dbraw/zinc/31/58/04/780315804.db2.gz BSNWKWLLYSYBML-LPEHRKFASA-N 2 2 271.317 -1.819 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1COCCC12OCCO2 ZINC001220172800 780315912 /nfs/dbraw/zinc/31/59/12/780315912.db2.gz BSNWKWLLYSYBML-GUBZILKMSA-N 2 2 271.317 -1.819 20 0 CAADLP O=C(N[C@@H]1COCCC12OCCO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220173728 780315950 /nfs/dbraw/zinc/31/59/50/780315950.db2.gz RLKLMLAFPFITSJ-WZRBSPASSA-N 2 2 297.355 -1.414 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(CCO)COC1 ZINC001220174031 780316088 /nfs/dbraw/zinc/31/60/88/780316088.db2.gz UQXAOKPMXKFNTC-JTQLQIEISA-N 2 2 268.317 -1.443 20 0 CAADLP Cn1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc1=O ZINC001220179902 780316918 /nfs/dbraw/zinc/31/69/18/780316918.db2.gz VKLTZUDCOQBDMJ-SDDRHHMPSA-N 2 2 276.340 -1.049 20 0 CAADLP Cn1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1=O ZINC001220179588 780317287 /nfs/dbraw/zinc/31/72/87/780317287.db2.gz OAOOAHMUIUEIHQ-SMDDNHRTSA-N 2 2 276.340 -1.047 20 0 CAADLP O=C(N[C@H]1COCC[C@@H]1O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220181192 780317737 /nfs/dbraw/zinc/31/77/37/780317737.db2.gz DNHLVUXAGLPONF-FYLLDIAZSA-N 2 2 255.318 -1.796 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001220183130 780317757 /nfs/dbraw/zinc/31/77/57/780317757.db2.gz FTECCCSBXZOARI-SDBXPKJASA-N 2 2 290.327 -1.122 20 0 CAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220197771 780318157 /nfs/dbraw/zinc/31/81/57/780318157.db2.gz QZZQGWYCXMLSMX-QWRGUYRKSA-N 2 2 269.345 -1.310 20 0 CAADLP COc1ccnc(C(=N)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001220183738 780318279 /nfs/dbraw/zinc/31/82/79/780318279.db2.gz YBVOFBAIXNUVHH-BQBZGAKWSA-N 2 2 264.289 -1.527 20 0 CAADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220198002 780318478 /nfs/dbraw/zinc/31/84/78/780318478.db2.gz ZIGJKIKVUHWLTI-QWRGUYRKSA-N 2 2 268.361 -1.486 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197536 780318938 /nfs/dbraw/zinc/31/89/38/780318938.db2.gz IPSXCYOPKNFKGY-NSHDSACASA-N 2 2 285.344 -1.142 20 0 CAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1C[NH2+]CCN1 ZINC001220197944 780319165 /nfs/dbraw/zinc/31/91/65/780319165.db2.gz XHDUMVYTUPLNOB-NSHDSACASA-N 2 2 268.361 -1.471 20 0 CAADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220197607 780319210 /nfs/dbraw/zinc/31/92/10/780319210.db2.gz LHFHPMVZASFJBK-QWRGUYRKSA-N 2 2 269.345 -1.310 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)COC1 ZINC001220214542 780320350 /nfs/dbraw/zinc/32/03/50/780320350.db2.gz BYFBNJAQRRUJRZ-BDAKNGLRSA-N 2 2 271.317 -1.486 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220202813 780320380 /nfs/dbraw/zinc/32/03/80/780320380.db2.gz KYWBWLSGKSBSGT-AUTRQRHGSA-N 2 2 252.318 -1.810 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)C1 ZINC001220203140 780320471 /nfs/dbraw/zinc/32/04/71/780320471.db2.gz WZMPEVRFQQVWMG-SCZZXKLOSA-N 2 2 265.317 -1.458 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202767 780320829 /nfs/dbraw/zinc/32/08/29/780320829.db2.gz JZDWIPMCMPFZBP-CBAPKCEASA-N 2 2 251.290 -1.468 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)COC1 ZINC001220215377 780321985 /nfs/dbraw/zinc/32/19/85/780321985.db2.gz UJSWGFJZGLRIIV-IINYFYTJSA-N 2 2 297.355 -1.224 20 0 CAADLP CCOC(=O)CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)COC1 ZINC001220215379 780322144 /nfs/dbraw/zinc/32/21/44/780322144.db2.gz UJSWGFJZGLRIIV-YGRLFVJLSA-N 2 2 297.355 -1.224 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCc1cnccn1 ZINC001220242782 780323676 /nfs/dbraw/zinc/32/36/76/780323676.db2.gz HVTBKZZJBCPPEY-CYBMUJFWSA-N 2 2 292.387 -1.114 20 0 CAADLP CN1C[C@@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1=O ZINC001220245074 780324870 /nfs/dbraw/zinc/32/48/70/780324870.db2.gz FKTNHRIHEDMQFP-PSASIEDQSA-N 2 2 265.317 -1.126 20 0 CAADLP CN1C[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)CC1=O ZINC001220245005 780325595 /nfs/dbraw/zinc/32/55/95/780325595.db2.gz CICMFKWLPUZEDQ-PWSUYJOCSA-N 2 2 297.403 -1.669 20 0 CAADLP CN1C[C@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)CC1=O ZINC001220245371 780325793 /nfs/dbraw/zinc/32/57/93/780325793.db2.gz POUNFTSTHKZLTG-VIFPVBQESA-N 2 2 254.334 -1.338 20 0 CAADLP [NH3+][C@H](C(=O)NCc1n[nH]c(=O)[nH]1)C1CC[NH2+]CC1 ZINC001220251798 780326865 /nfs/dbraw/zinc/32/68/65/780326865.db2.gz FWYXWDUNWYYTHI-QMMMGPOBSA-N 2 2 254.294 -1.547 20 0 CAADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220252169 780327465 /nfs/dbraw/zinc/32/74/65/780327465.db2.gz QEGUFEJRSQGSJW-ZETCQYMHSA-N 2 2 256.310 -1.027 20 0 CAADLP CN(C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272033 780328392 /nfs/dbraw/zinc/32/83/92/780328392.db2.gz PHDIRGIYLXCRDP-MNOVXSKESA-N 2 2 286.376 -1.812 20 0 CAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272033 780328393 /nfs/dbraw/zinc/32/83/93/780328393.db2.gz PHDIRGIYLXCRDP-MNOVXSKESA-N 2 2 286.376 -1.812 20 0 CAADLP CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272205 780328514 /nfs/dbraw/zinc/32/85/14/780328514.db2.gz UFWCMISHFWDLJH-MNOVXSKESA-N 2 2 286.376 -1.765 20 0 CAADLP CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272205 780328520 /nfs/dbraw/zinc/32/85/20/780328520.db2.gz UFWCMISHFWDLJH-MNOVXSKESA-N 2 2 286.376 -1.765 20 0 CAADLP CN(C)S(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220268342 780328853 /nfs/dbraw/zinc/32/88/53/780328853.db2.gz DPJYTWVTJRXIDU-SFYZADRCSA-N 2 2 264.351 -2.317 20 0 CAADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276518 780329361 /nfs/dbraw/zinc/32/93/61/780329361.db2.gz DBWGEGMAJVSNAA-AXFHLTTASA-N 2 2 286.376 -1.766 20 0 CAADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276518 780329367 /nfs/dbraw/zinc/32/93/67/780329367.db2.gz DBWGEGMAJVSNAA-AXFHLTTASA-N 2 2 286.376 -1.766 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220274957 780329465 /nfs/dbraw/zinc/32/94/65/780329465.db2.gz JZTQWNWNTOTARF-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001220274957 780329475 /nfs/dbraw/zinc/32/94/75/780329475.db2.gz JZTQWNWNTOTARF-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276648 780329518 /nfs/dbraw/zinc/32/95/18/780329518.db2.gz GQEUCCKAPMRJFP-VWYCJHECSA-N 2 2 286.376 -1.637 20 0 CAADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276648 780329528 /nfs/dbraw/zinc/32/95/28/780329528.db2.gz GQEUCCKAPMRJFP-VWYCJHECSA-N 2 2 286.376 -1.637 20 0 CAADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273486 780329732 /nfs/dbraw/zinc/32/97/32/780329732.db2.gz MGRMWKGOXUECGJ-BBBLOLIVSA-N 2 2 272.349 -2.027 20 0 CAADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273486 780329736 /nfs/dbraw/zinc/32/97/36/780329736.db2.gz MGRMWKGOXUECGJ-BBBLOLIVSA-N 2 2 272.349 -2.027 20 0 CAADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276520 780330585 /nfs/dbraw/zinc/33/05/85/780330585.db2.gz DBWGEGMAJVSNAA-MXWKQRLJSA-N 2 2 286.376 -1.766 20 0 CAADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276520 780330590 /nfs/dbraw/zinc/33/05/90/780330590.db2.gz DBWGEGMAJVSNAA-MXWKQRLJSA-N 2 2 286.376 -1.766 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220291180 780331274 /nfs/dbraw/zinc/33/12/74/780331274.db2.gz NWBAQQHUAHTMSJ-BBBLOLIVSA-N 2 2 254.290 -1.990 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220291180 780331280 /nfs/dbraw/zinc/33/12/80/780331280.db2.gz NWBAQQHUAHTMSJ-BBBLOLIVSA-N 2 2 254.290 -1.990 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1[NH2+]CC[C@H]1O ZINC001220291791 780331606 /nfs/dbraw/zinc/33/16/06/780331606.db2.gz XTWMGCDWZTVTBQ-BBBLOLIVSA-N 2 2 254.290 -1.848 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1[NH2+]CC[C@H]1O ZINC001220291791 780331611 /nfs/dbraw/zinc/33/16/11/780331611.db2.gz XTWMGCDWZTVTBQ-BBBLOLIVSA-N 2 2 254.290 -1.848 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220291921 780331658 /nfs/dbraw/zinc/33/16/58/780331658.db2.gz YKWWPQOQMTZAAA-MPKXVKKWSA-N 3 2 293.371 -1.372 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220291921 780331664 /nfs/dbraw/zinc/33/16/64/780331664.db2.gz YKWWPQOQMTZAAA-MPKXVKKWSA-N 3 2 293.371 -1.372 20 0 CAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1OCCO1 ZINC001220288817 780332010 /nfs/dbraw/zinc/33/20/10/780332010.db2.gz JBWMBNQTPXSMLL-SNVBAGLBSA-N 2 2 272.349 -1.774 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1C[NH2+]C[C@H]1O ZINC001220291181 780332408 /nfs/dbraw/zinc/33/24/08/780332408.db2.gz NWBAQQHUAHTMSJ-KXUCPTDWSA-N 2 2 254.290 -1.990 20 0 CAADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1C[NH2+]C[C@H]1O ZINC001220291181 780332413 /nfs/dbraw/zinc/33/24/13/780332413.db2.gz NWBAQQHUAHTMSJ-KXUCPTDWSA-N 2 2 254.290 -1.990 20 0 CAADLP N[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC001220291360 780332498 /nfs/dbraw/zinc/33/24/98/780332498.db2.gz RTOOWZUVKHITAT-KOLCDFICSA-N 2 2 253.306 -1.880 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)CO1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220315109 780333350 /nfs/dbraw/zinc/33/33/50/780333350.db2.gz ABBDBLYHXNNHPP-AUTRQRHGSA-N 2 2 268.317 -2.431 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1 ZINC001220312674 780333405 /nfs/dbraw/zinc/33/34/05/780333405.db2.gz BAMQZIDNAYYZPZ-UWVGGRQHSA-N 3 2 278.360 -1.318 20 0 CAADLP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001220307221 780333462 /nfs/dbraw/zinc/33/34/62/780333462.db2.gz VONILXBEWDFYKS-NEPJUHHUSA-N 3 2 269.393 -1.571 20 0 CAADLP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001220307221 780333467 /nfs/dbraw/zinc/33/34/67/780333467.db2.gz VONILXBEWDFYKS-NEPJUHHUSA-N 3 2 269.393 -1.571 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313622 780333734 /nfs/dbraw/zinc/33/37/34/780333734.db2.gz RNBIXSWGURENKG-UWVGGRQHSA-N 3 2 278.360 -1.461 20 0 CAADLP O=C(NC[C@@H]1CNC(=O)CO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220316277 780334831 /nfs/dbraw/zinc/33/48/31/780334831.db2.gz NVVZYNBYOOVNHN-AATLWQCWSA-N 2 2 268.317 -2.433 20 0 CAADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CNC(=O)CO2)cc1 ZINC001220315897 780334972 /nfs/dbraw/zinc/33/49/72/780334972.db2.gz KCMIHOZZQIIWJP-NWDGAFQWSA-N 2 2 292.339 -1.110 20 0 CAADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316454 780335377 /nfs/dbraw/zinc/33/53/77/780335377.db2.gz PLTQWQUSKUTPFC-BDAKNGLRSA-N 2 2 267.289 -2.089 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316457 780335566 /nfs/dbraw/zinc/33/55/66/780335566.db2.gz PLTQWQUSKUTPFC-RKDXNWHRSA-N 2 2 267.289 -2.089 20 0 CAADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CNC(=O)CO2)cc1 ZINC001220315896 780335649 /nfs/dbraw/zinc/33/56/49/780335649.db2.gz KCMIHOZZQIIWJP-NEPJUHHUSA-N 2 2 292.339 -1.110 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320778 780336093 /nfs/dbraw/zinc/33/60/93/780336093.db2.gz PHGARHDRAUHMOF-ZPFDUUQYSA-N 3 2 268.361 -1.297 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317251 780336257 /nfs/dbraw/zinc/33/62/57/780336257.db2.gz XBOWXCZGFAKZLH-MNOVXSKESA-N 2 2 299.375 -2.632 20 0 CAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320775 780336607 /nfs/dbraw/zinc/33/66/07/780336607.db2.gz PHGARHDRAUHMOF-NOHGZBONSA-N 3 2 268.361 -1.297 20 0 CAADLP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220317114 780336630 /nfs/dbraw/zinc/33/66/30/780336630.db2.gz VWPZRLMFNNQTPH-VIRABCJISA-N 3 2 294.399 -1.035 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317516 780336791 /nfs/dbraw/zinc/33/67/91/780336791.db2.gz ZHWOQCJELWFVHU-UWVGGRQHSA-N 2 2 281.316 -2.079 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319101 780336813 /nfs/dbraw/zinc/33/68/13/780336813.db2.gz CWYOYRMRXXQIDM-MRBYEJRBSA-N 3 2 268.361 -1.440 20 0 CAADLP NC(=O)[C@@H](CO)NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220328879 780337791 /nfs/dbraw/zinc/33/77/91/780337791.db2.gz DQAIHFAKSFXHFL-DTWKUNHWSA-N 2 2 273.337 -3.301 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](CO)C(N)=O ZINC001220328845 780337898 /nfs/dbraw/zinc/33/78/98/780337898.db2.gz CTMFPXMRXCZWQO-YUMQZZPRSA-N 2 2 255.278 -2.748 20 0 CAADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n(N)c(=O)c1 ZINC001220324070 780338488 /nfs/dbraw/zinc/33/84/88/780338488.db2.gz WLWCJFQASCWTME-SFYZADRCSA-N 2 2 251.290 -1.502 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H](CO)C(N)=O ZINC001220328844 780338523 /nfs/dbraw/zinc/33/85/23/780338523.db2.gz CTMFPXMRXCZWQO-JGVFFNPUSA-N 2 2 255.278 -2.748 20 0 CAADLP NC(=O)[C@@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220329728 780338984 /nfs/dbraw/zinc/33/89/84/780338984.db2.gz YSDAHBWWDIILJD-NXEZZACHSA-N 2 2 266.301 -1.779 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC[NH3+])CC[NH+](C)CC1 ZINC001220345598 780340376 /nfs/dbraw/zinc/34/03/76/780340376.db2.gz JSRJMPCKJBRJAW-JTQLQIEISA-N 3 2 286.376 -1.194 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220381127 780342670 /nfs/dbraw/zinc/34/26/70/780342670.db2.gz GXVAEMGEFQIXDW-MDZLAQPJSA-N 2 2 268.361 -1.615 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220381124 780342849 /nfs/dbraw/zinc/34/28/49/780342849.db2.gz GXVAEMGEFQIXDW-GVXVVHGQSA-N 2 2 268.361 -1.615 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1COCCN1C ZINC001220381693 780342907 /nfs/dbraw/zinc/34/29/07/780342907.db2.gz MLJKZNONTQNCPZ-RYUDHWBXSA-N 2 2 281.360 -1.263 20 0 CAADLP CN1CCOC[C@@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220381155 780343491 /nfs/dbraw/zinc/34/34/91/780343491.db2.gz HNTLFZMHZCVCQX-WGBDABJCSA-N 2 2 268.361 -1.345 20 0 CAADLP CO[C@@H](C)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220393094 780344280 /nfs/dbraw/zinc/34/42/80/780344280.db2.gz QJGRZQJDOMRWSC-ONGXEEELSA-N 2 2 258.366 -1.112 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220394992 780344314 /nfs/dbraw/zinc/34/43/14/780344314.db2.gz QVCNJWPFUJWARR-BXKDBHETSA-N 2 2 252.318 -1.644 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220394429 780344400 /nfs/dbraw/zinc/34/44/00/780344400.db2.gz FZYAGDTUKOJYTR-LNLATYFQSA-N 2 2 252.318 -1.373 20 0 CAADLP C=CC(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220394994 780345465 /nfs/dbraw/zinc/34/54/65/780345465.db2.gz QVCNJWPFUJWARR-JOYOIKCWSA-N 2 2 252.318 -1.644 20 0 CAADLP Cn1c(=O)cc(NC(=O)C2([NH3+])CC[NH2+]CC2)[nH]c1=O ZINC001220424722 780346749 /nfs/dbraw/zinc/34/67/49/780346749.db2.gz QYVRYRSJNMICFA-UHFFFAOYSA-N 2 2 267.289 -1.495 20 0 CAADLP Cn1c(=O)cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[nH]c1=O ZINC001220424594 780346797 /nfs/dbraw/zinc/34/67/97/780346797.db2.gz MFESETUUOBABDS-RITPCOANSA-N 2 2 253.262 -1.886 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429028 780348119 /nfs/dbraw/zinc/34/81/19/780348119.db2.gz JROARFHZGOHAIM-ONGXEEELSA-N 3 2 267.333 -1.606 20 0 CAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220429112 780348248 /nfs/dbraw/zinc/34/82/48/780348248.db2.gz LFTBEBJDQUUXPI-UMNHJUIQSA-N 3 2 254.334 -1.958 20 0 CAADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220429110 780348508 /nfs/dbraw/zinc/34/85/08/780348508.db2.gz LFTBEBJDQUUXPI-FOGDFJRCSA-N 3 2 254.334 -1.958 20 0 CAADLP O=C(N[C@H](CO)C(F)(F)F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220447980 780349313 /nfs/dbraw/zinc/34/93/13/780349313.db2.gz TUQDFOPPKBQECG-RULNZFCNSA-N 2 2 267.251 -1.024 20 0 CAADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442135 780349874 /nfs/dbraw/zinc/34/98/74/780349874.db2.gz YOOLGOVXORHWBE-UTUOFQBUSA-N 2 2 282.344 -1.012 20 0 CAADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442135 780349878 /nfs/dbraw/zinc/34/98/78/780349878.db2.gz YOOLGOVXORHWBE-UTUOFQBUSA-N 2 2 282.344 -1.012 20 0 CAADLP CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)N1CCOCC1 ZINC001220454539 780349910 /nfs/dbraw/zinc/34/99/10/780349910.db2.gz ZEHXLBNVZBWWEV-WOPDTQHZSA-N 2 2 298.387 -1.325 20 0 CAADLP O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220447979 780349946 /nfs/dbraw/zinc/34/99/46/780349946.db2.gz TUQDFOPPKBQECG-HSNKUXOKSA-N 2 2 267.251 -1.024 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220479275 780351297 /nfs/dbraw/zinc/35/12/97/780351297.db2.gz GARGYMMJRRHEBN-PKFCDNJMSA-N 2 2 299.371 -1.243 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481254 780351691 /nfs/dbraw/zinc/35/16/91/780351691.db2.gz AVEXGGYXDMUALV-OPRDCNLKSA-N 2 2 254.290 -1.766 20 0 CAADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220479274 780351939 /nfs/dbraw/zinc/35/19/39/780351939.db2.gz GARGYMMJRRHEBN-ISTVAULSSA-N 2 2 299.371 -1.243 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501977 780355528 /nfs/dbraw/zinc/35/55/28/780355528.db2.gz WVAJMJPUIKADCL-VHSXEESVSA-N 2 2 275.316 -1.114 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220517438 780356405 /nfs/dbraw/zinc/35/64/05/780356405.db2.gz LQYMNKFLXKOXPG-NSHDSACASA-N 3 2 285.348 -1.612 20 0 CAADLP CN(CC[NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220515955 780357812 /nfs/dbraw/zinc/35/78/12/780357812.db2.gz MSNOYWSZQNOVRR-CMPLNLGQSA-N 3 2 255.366 -2.055 20 0 CAADLP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220514612 780358149 /nfs/dbraw/zinc/35/81/49/780358149.db2.gz RTJXUSRFNWJHBV-YFKPBYRVSA-N 2 2 269.261 -1.417 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220519091 780358465 /nfs/dbraw/zinc/35/84/65/780358465.db2.gz APCCSERSDBOQLR-UWVGGRQHSA-N 3 2 260.338 -2.359 20 0 CAADLP [NH3+]CCOCCOCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220519228 780358718 /nfs/dbraw/zinc/35/87/18/780358718.db2.gz HDCACHJBLIDBDV-WCQYABFASA-N 3 2 286.376 -1.954 20 0 CAADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC[NH2+]C1 ZINC001220523605 780358888 /nfs/dbraw/zinc/35/88/88/780358888.db2.gz RZDQRFJQKGGRJV-KWQFWETISA-N 3 2 282.344 -1.398 20 0 CAADLP [NH3+]CCC[C@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570976 780363303 /nfs/dbraw/zinc/36/33/03/780363303.db2.gz FPYKZZTVBGGVDX-JTQLQIEISA-N 3 2 256.350 -1.499 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220571746 780363466 /nfs/dbraw/zinc/36/34/66/780363466.db2.gz YMMIWCIKDDOKPK-UWVGGRQHSA-N 2 2 255.318 -1.842 20 0 CAADLP N[C@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CCC[NH2+]C1 ZINC001220571079 780363506 /nfs/dbraw/zinc/36/35/06/780363506.db2.gz ICYQFKKQCMADFX-CYBMUJFWSA-N 2 2 268.361 -1.484 20 0 CAADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220571261 780363677 /nfs/dbraw/zinc/36/36/77/780363677.db2.gz NAQNYNYKAOEBIY-BXUZGUMPSA-N 2 2 280.372 -1.614 20 0 CAADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571657 780364085 /nfs/dbraw/zinc/36/40/85/780364085.db2.gz WTYLZOIRWYMBII-NSHDSACASA-N 2 2 296.371 -1.616 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)C[C@H]([NH3+])C(=O)OC ZINC001220583741 780364490 /nfs/dbraw/zinc/36/44/90/780364490.db2.gz WUXDNNCRKHKUSC-QMMMGPOBSA-N 2 2 275.305 -1.773 20 0 CAADLP COC(=O)CNC(=O)CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220576213 780366536 /nfs/dbraw/zinc/36/65/36/780366536.db2.gz VPQPXHITCBYGIF-BQBZGAKWSA-N 2 2 258.278 -3.062 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220583651 780367119 /nfs/dbraw/zinc/36/71/19/780367119.db2.gz SMRXZZCEYVGYLQ-BREBYQMCSA-N 3 2 284.360 -1.441 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220583097 780367345 /nfs/dbraw/zinc/36/73/45/780367345.db2.gz DHZRNAIMNFEVCP-SNVBAGLBSA-N 3 2 283.332 -1.370 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220578521 780367788 /nfs/dbraw/zinc/36/77/88/780367788.db2.gz FZGCQQASOIEVIE-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220578521 780367799 /nfs/dbraw/zinc/36/77/99/780367799.db2.gz FZGCQQASOIEVIE-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220583584 780368584 /nfs/dbraw/zinc/36/85/84/780368584.db2.gz PBSSDEIAAFAVIY-BDAKNGLRSA-N 3 2 258.322 -1.974 20 0 CAADLP CN1CCC[C@H](NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1=O ZINC001220590854 780369143 /nfs/dbraw/zinc/36/91/43/780369143.db2.gz SPVLWFKYWPLSSD-NEPJUHHUSA-N 2 2 297.403 -1.526 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220596724 780369354 /nfs/dbraw/zinc/36/93/54/780369354.db2.gz GTHHVXBSOQOIRE-BXKDBHETSA-N 2 2 252.318 -1.715 20 0 CAADLP CC(=O)N1CC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220596833 780370236 /nfs/dbraw/zinc/37/02/36/780370236.db2.gz JLQDPSUDPVDXIS-FOGDFJRCSA-N 2 2 252.318 -1.445 20 0 CAADLP CN1CCC[C@H](NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1=O ZINC001220590858 780370650 /nfs/dbraw/zinc/37/06/50/780370650.db2.gz SPVLWFKYWPLSSD-RYUDHWBXSA-N 2 2 297.403 -1.526 20 0 CAADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220688820 780374820 /nfs/dbraw/zinc/37/48/20/780374820.db2.gz QVRAVFSNVZDBJL-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220688820 780374829 /nfs/dbraw/zinc/37/48/29/780374829.db2.gz QVRAVFSNVZDBJL-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220688820 780374837 /nfs/dbraw/zinc/37/48/37/780374837.db2.gz QVRAVFSNVZDBJL-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220688820 780374843 /nfs/dbraw/zinc/37/48/43/780374843.db2.gz QVRAVFSNVZDBJL-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220725629 780375331 /nfs/dbraw/zinc/37/53/31/780375331.db2.gz VWESYTARIZFCFP-QWRGUYRKSA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220725629 780375342 /nfs/dbraw/zinc/37/53/42/780375342.db2.gz VWESYTARIZFCFP-QWRGUYRKSA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@@H]1COCCN1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220725278 780375509 /nfs/dbraw/zinc/37/55/09/780375509.db2.gz PPYODLIQPGKKLC-YRGRVCCFSA-N 2 2 282.388 -1.225 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220723472 780375613 /nfs/dbraw/zinc/37/56/13/780375613.db2.gz AHYLELWDMDHHST-MNOVXSKESA-N 3 2 290.433 -1.158 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220723472 780375619 /nfs/dbraw/zinc/37/56/19/780375619.db2.gz AHYLELWDMDHHST-MNOVXSKESA-N 3 2 290.433 -1.158 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220725037 780375750 /nfs/dbraw/zinc/37/57/50/780375750.db2.gz LJNCJWHWKMWSCP-OUAUKWLOSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220725037 780375758 /nfs/dbraw/zinc/37/57/58/780375758.db2.gz LJNCJWHWKMWSCP-OUAUKWLOSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220725228 780375932 /nfs/dbraw/zinc/37/59/32/780375932.db2.gz OKOLRMUZDYYSBT-AXFHLTTASA-N 2 2 256.350 -1.488 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725434 780375985 /nfs/dbraw/zinc/37/59/85/780375985.db2.gz RLVRFFZLGOJVCH-VXGBXAGGSA-N 3 2 282.388 -1.368 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725434 780375991 /nfs/dbraw/zinc/37/59/91/780375991.db2.gz RLVRFFZLGOJVCH-VXGBXAGGSA-N 3 2 282.388 -1.368 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220725630 780376017 /nfs/dbraw/zinc/37/60/17/780376017.db2.gz VWESYTARIZFCFP-WDEREUQCSA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220725630 780376025 /nfs/dbraw/zinc/37/60/25/780376025.db2.gz VWESYTARIZFCFP-WDEREUQCSA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725433 780376065 /nfs/dbraw/zinc/37/60/65/780376065.db2.gz RLVRFFZLGOJVCH-RYUDHWBXSA-N 3 2 282.388 -1.368 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725433 780376072 /nfs/dbraw/zinc/37/60/72/780376072.db2.gz RLVRFFZLGOJVCH-RYUDHWBXSA-N 3 2 282.388 -1.368 20 0 CAADLP NC(=O)c1ccccc1OCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220718750 780376269 /nfs/dbraw/zinc/37/62/69/780376269.db2.gz HTBOELMGZBXRTQ-KOLCDFICSA-N 2 2 292.339 -1.030 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220725627 780376761 /nfs/dbraw/zinc/37/67/61/780376761.db2.gz VWESYTARIZFCFP-GHMZBOCLSA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220725627 780376773 /nfs/dbraw/zinc/37/67/73/780376773.db2.gz VWESYTARIZFCFP-GHMZBOCLSA-N 3 2 258.366 -1.111 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220725771 780376898 /nfs/dbraw/zinc/37/68/98/780376898.db2.gz XXWMYDVVVRXUOT-VXGBXAGGSA-N 2 2 298.387 -1.846 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220725771 780376904 /nfs/dbraw/zinc/37/69/04/780376904.db2.gz XXWMYDVVVRXUOT-VXGBXAGGSA-N 2 2 298.387 -1.846 20 0 CAADLP NC(=O)c1ccccc1OCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220719202 780377102 /nfs/dbraw/zinc/37/71/02/780377102.db2.gz UGLDKFSHGNLCFO-QWRGUYRKSA-N 2 2 292.339 -1.173 20 0 CAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220725036 780377300 /nfs/dbraw/zinc/37/73/00/780377300.db2.gz LJNCJWHWKMWSCP-MXWKQRLJSA-N 2 2 257.334 -1.596 20 0 CAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220725036 780377310 /nfs/dbraw/zinc/37/73/10/780377310.db2.gz LJNCJWHWKMWSCP-MXWKQRLJSA-N 2 2 257.334 -1.596 20 0 CAADLP CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220756980 780378292 /nfs/dbraw/zinc/37/82/92/780378292.db2.gz PJIXMYBVIBSCIU-MFKMUULPSA-N 2 2 299.419 -1.375 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](C)[NH3+] ZINC001220770153 780378718 /nfs/dbraw/zinc/37/87/18/780378718.db2.gz UURJBGZIVMYXAZ-VXNVDRBHSA-N 2 2 254.290 -1.032 20 0 CAADLP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220756879 780379169 /nfs/dbraw/zinc/37/91/69/780379169.db2.gz MUJRCBNXMYELMM-NUGNTBJXSA-N 2 2 268.361 -1.175 20 0 CAADLP CC(=O)NC[C@H](C)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220756589 780379266 /nfs/dbraw/zinc/37/92/66/780379266.db2.gz GGSPYGSVMYDYKR-VIFPVBQESA-N 2 2 256.350 -1.044 20 0 CAADLP COC(=O)CC1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCOCC1 ZINC001220731760 780379349 /nfs/dbraw/zinc/37/93/49/780379349.db2.gz SUFSTJNCTTXWOL-ZJUUUORDSA-N 2 2 285.344 -1.096 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](N)C[NH3+] ZINC001220768787 780379647 /nfs/dbraw/zinc/37/96/47/780379647.db2.gz BEVJZIINRLFTSW-IUCAKERBSA-N 2 2 269.305 -2.094 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220768757 780380054 /nfs/dbraw/zinc/38/00/54/780380054.db2.gz ANZGZRDNECTVIG-GHMZBOCLSA-N 3 2 297.359 -1.313 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220772630 780380082 /nfs/dbraw/zinc/38/00/82/780380082.db2.gz QTGSZUXIEVLZQO-VWYCJHECSA-N 2 2 296.327 -1.657 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220771780 780380679 /nfs/dbraw/zinc/38/06/79/780380679.db2.gz CXDUOGUUSUOXCL-GARJFASQSA-N 2 2 296.327 -1.799 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](N)C[NH3+] ZINC001220768786 780380825 /nfs/dbraw/zinc/38/08/25/780380825.db2.gz BEVJZIINRLFTSW-DTWKUNHWSA-N 2 2 269.305 -2.094 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220771781 780381006 /nfs/dbraw/zinc/38/10/06/780381006.db2.gz CXDUOGUUSUOXCL-OUAUKWLOSA-N 2 2 296.327 -1.799 20 0 CAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220771800 780381180 /nfs/dbraw/zinc/38/11/80/780381180.db2.gz DMLBJFQHMIKUNS-GWCFXTLKSA-N 2 2 295.343 -1.689 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220822463 780382214 /nfs/dbraw/zinc/38/22/14/780382214.db2.gz ZMVXTJWGHAPYTA-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220822463 780382224 /nfs/dbraw/zinc/38/22/24/780382224.db2.gz ZMVXTJWGHAPYTA-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220822463 780382238 /nfs/dbraw/zinc/38/22/38/780382238.db2.gz ZMVXTJWGHAPYTA-AXFHLTTASA-N 2 2 286.376 -1.637 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220817438 780382344 /nfs/dbraw/zinc/38/23/44/780382344.db2.gz WLYALNTUKRFCIW-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220817438 780382353 /nfs/dbraw/zinc/38/23/53/780382353.db2.gz WLYALNTUKRFCIW-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220817438 780382370 /nfs/dbraw/zinc/38/23/70/780382370.db2.gz WLYALNTUKRFCIW-UTUOFQBUSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220817439 780383444 /nfs/dbraw/zinc/38/34/44/780383444.db2.gz WLYALNTUKRFCIW-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220817439 780383450 /nfs/dbraw/zinc/38/34/50/780383450.db2.gz WLYALNTUKRFCIW-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@@H]1O ZINC001220817439 780383470 /nfs/dbraw/zinc/38/34/70/780383470.db2.gz WLYALNTUKRFCIW-WOPDTQHZSA-N 2 2 298.387 -1.622 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[NH2+]C1 ZINC001220849016 780385457 /nfs/dbraw/zinc/38/54/57/780385457.db2.gz PXKSFFOLDUFMDQ-VIFPVBQESA-N 2 2 281.316 -1.699 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[NH2+]C1 ZINC001220849016 780385470 /nfs/dbraw/zinc/38/54/70/780385470.db2.gz PXKSFFOLDUFMDQ-VIFPVBQESA-N 2 2 281.316 -1.699 20 0 CAADLP CSCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(N)=O ZINC001220840647 780386576 /nfs/dbraw/zinc/38/65/76/780386576.db2.gz RLSOVILTUKDTAI-FXQIFTODSA-N 2 2 260.363 -1.744 20 0 CAADLP CSCC[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(N)=O ZINC001220840800 780386725 /nfs/dbraw/zinc/38/67/25/780386725.db2.gz WCVUICKATNCCGS-XBWDGYHZSA-N 2 2 286.401 -1.069 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@H]2COCC[NH2+]2)C[NH2+]C1 ZINC001220850960 780386755 /nfs/dbraw/zinc/38/67/55/780386755.db2.gz BMKLFZMSEWFNKK-QMMMGPOBSA-N 2 2 257.290 -2.004 20 0 CAADLP CCOC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[NH2+]C1 ZINC001220851020 780387014 /nfs/dbraw/zinc/38/70/14/780387014.db2.gz DGFZONYJFZSONZ-TVQRCGJNSA-N 3 2 282.344 -2.041 20 0 CAADLP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1COCC[NH2+]1 ZINC001220874651 780390403 /nfs/dbraw/zinc/39/04/03/780390403.db2.gz KKPIBWYMHMNOJB-VIFPVBQESA-N 2 2 256.306 -2.477 20 0 CAADLP [NH3+]Cc1ncc(C(=O)NCCN2CC[NH2+]CC2=O)s1 ZINC001220874665 780390430 /nfs/dbraw/zinc/39/04/30/780390430.db2.gz KZJRQFGUEBHIOL-UHFFFAOYSA-N 2 2 283.357 -1.237 20 0 CAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874144 780391004 /nfs/dbraw/zinc/39/10/04/780391004.db2.gz ASPJMJVUVQADSF-JTQLQIEISA-N 2 2 286.376 -1.323 20 0 CAADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888413 780392659 /nfs/dbraw/zinc/39/26/59/780392659.db2.gz KQCLNDBBRSZVSD-RTXFEEFZSA-N 2 2 296.371 -1.105 20 0 CAADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888413 780392668 /nfs/dbraw/zinc/39/26/68/780392668.db2.gz KQCLNDBBRSZVSD-RTXFEEFZSA-N 2 2 296.371 -1.105 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900688 780394468 /nfs/dbraw/zinc/39/44/68/780394468.db2.gz ODZCWKBIJFSJOY-ZETCQYMHSA-N 2 2 292.296 -2.459 20 0 CAADLP [NH3+]CCN(CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)N(O)N=O ZINC001220903318 780395079 /nfs/dbraw/zinc/39/50/79/780395079.db2.gz PQWJNMWDNJKMRI-SFYZADRCSA-N 3 2 275.313 -2.660 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220951031 780395386 /nfs/dbraw/zinc/39/53/86/780395386.db2.gz NXAJFQUDDDXKJN-VIFPVBQESA-N 2 2 261.289 -1.245 20 0 CAADLP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220951031 780395393 /nfs/dbraw/zinc/39/53/93/780395393.db2.gz NXAJFQUDDDXKJN-VIFPVBQESA-N 2 2 261.289 -1.245 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937698 780396156 /nfs/dbraw/zinc/39/61/56/780396156.db2.gz XUPFLSYCHKOYQK-YUMQZZPRSA-N 2 2 269.309 -2.436 20 0 CAADLP [NH3+]C1(C(=O)NCCO[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220936566 780397063 /nfs/dbraw/zinc/39/70/63/780397063.db2.gz HGSAHNRJBKERBP-JTQLQIEISA-N 3 2 256.350 -1.438 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937697 780398402 /nfs/dbraw/zinc/39/84/02/780398402.db2.gz XUPFLSYCHKOYQK-SFYZADRCSA-N 2 2 269.309 -2.436 20 0 CAADLP COC(=O)[C@@H]([NH3+])CC(=O)n1cc(C[NH3+])cnc1=N ZINC001220951172 780399377 /nfs/dbraw/zinc/39/93/77/780399377.db2.gz SEKPRQIQCWDGIY-ZETCQYMHSA-N 2 2 253.262 -1.648 20 0 CAADLP Cc1nnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)o1 ZINC001221011192 780402278 /nfs/dbraw/zinc/40/22/78/780402278.db2.gz YHSVUHYJWFMXHR-KCJUWKMLSA-N 2 2 251.290 -1.054 20 0 CAADLP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221006790 780402340 /nfs/dbraw/zinc/40/23/40/780402340.db2.gz MQVKODCAOWPRDU-KKOKHZNYSA-N 2 2 298.387 -1.134 20 0 CAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221161649 780404705 /nfs/dbraw/zinc/40/47/05/780404705.db2.gz XUXTVMSVTUMQQH-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221161649 780404707 /nfs/dbraw/zinc/40/47/07/780404707.db2.gz XUXTVMSVTUMQQH-NEPJUHHUSA-N 2 2 282.344 -1.183 20 0 CAADLP CCCC[C@H](NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)C(N)=O ZINC001221234077 780407088 /nfs/dbraw/zinc/40/70/88/780407088.db2.gz BIOHFTKAUZGPAD-RYUDHWBXSA-N 2 2 299.419 -1.103 20 0 CAADLP O=C(NC1CN(C2COC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221245928 780408147 /nfs/dbraw/zinc/40/81/47/780408147.db2.gz IXOVCRNSERQQQI-RNCFNFMXSA-N 2 2 266.345 -1.863 20 0 CAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C[C@@H](O)C[NH3+] ZINC001221256717 780408628 /nfs/dbraw/zinc/40/86/28/780408628.db2.gz JXQLXBCARJTPMN-MNOVXSKESA-N 2 2 298.343 -1.280 20 0 CAADLP CC(=O)OCN1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221259086 780408774 /nfs/dbraw/zinc/40/87/74/780408774.db2.gz UDDTXEAKDMMULU-PWSUYJOCSA-N 2 2 284.360 -1.223 20 0 CAADLP O=C(NC1CN(C2COC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221245930 780408810 /nfs/dbraw/zinc/40/88/10/780408810.db2.gz IXOVCRNSERQQQI-ZANVPECISA-N 2 2 266.345 -1.863 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CN(C2COC2)C1 ZINC001221245908 780409006 /nfs/dbraw/zinc/40/90/06/780409006.db2.gz IEWRNIQPALNTBV-LLVKDONJSA-N 2 2 265.317 -1.521 20 0 CAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265829 780411315 /nfs/dbraw/zinc/41/13/15/780411315.db2.gz QACNJYKXVPWLNS-XSPKLOCKSA-N 2 2 272.309 -3.604 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccccc1 ZINC001221266910 780411582 /nfs/dbraw/zinc/41/15/82/780411582.db2.gz ZLMYSESWSOUFBC-IRCOFANPSA-N 2 2 276.344 -1.795 20 0 CAADLP [NH3+][C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)c1ccccc1 ZINC001221266914 780411642 /nfs/dbraw/zinc/41/16/42/780411642.db2.gz ZLMYSESWSOUFBC-WHOHXGKFSA-N 2 2 276.344 -1.795 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC1=CCOC1=O ZINC001221328814 780414730 /nfs/dbraw/zinc/41/47/30/780414730.db2.gz OJXURGDAOSVKDI-VIFPVBQESA-N 2 2 268.317 -1.706 20 0 CAADLP Nc1cn(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(N)nc1=O ZINC001221331153 780414801 /nfs/dbraw/zinc/41/48/01/780414801.db2.gz RQDGRQZEPPUOKS-VIFPVBQESA-N 2 2 295.347 -1.959 20 0 CAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CCCS1(=O)=O ZINC001221336059 780416486 /nfs/dbraw/zinc/41/64/86/780416486.db2.gz KKAMEQRGDZRZKS-IUCAKERBSA-N 2 2 276.362 -2.315 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367140 780417094 /nfs/dbraw/zinc/41/70/94/780417094.db2.gz YCPWJEWODJZDOJ-DSYKOEDSSA-N 2 2 257.273 -2.114 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221369304 780417345 /nfs/dbraw/zinc/41/73/45/780417345.db2.gz LYEHXJIXMHLZJI-BDAKNGLRSA-N 2 2 267.289 -1.486 20 0 CAADLP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221368882 780417648 /nfs/dbraw/zinc/41/76/48/780417648.db2.gz HUZKIZLNDBCKIE-AXTSPUMRSA-N 2 2 266.345 -1.423 20 0 CAADLP O=C(NC[C@H]1CNC(=O)O1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221371386 780418642 /nfs/dbraw/zinc/41/86/42/780418642.db2.gz XJKVKYCGYMNVCX-VHSKPIJISA-N 2 2 254.290 -1.838 20 0 CAADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)Cc1nn[nH]n1 ZINC001221388205 780418710 /nfs/dbraw/zinc/41/87/10/780418710.db2.gz BKUKFPBTEFGFDU-QMMMGPOBSA-N 2 2 297.367 -1.867 20 0 CAADLP O=C(NC[C@H]1CNC(=O)O1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221371378 780419090 /nfs/dbraw/zinc/41/90/90/780419090.db2.gz XJKVKYCGYMNVCX-DKCNOQQISA-N 2 2 254.290 -1.838 20 0 CAADLP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221370528 780419115 /nfs/dbraw/zinc/41/91/15/780419115.db2.gz SDCUFBHVANCPQA-IUCAKERBSA-N 2 2 265.317 -1.080 20 0 CAADLP O=C(NC[C@H]1CNC(=O)O1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221371385 780419136 /nfs/dbraw/zinc/41/91/36/780419136.db2.gz XJKVKYCGYMNVCX-LAEOZQHASA-N 2 2 254.290 -1.838 20 0 CAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370835 780419271 /nfs/dbraw/zinc/41/92/71/780419271.db2.gz UPHDTKFZMXOPHA-UWVGGRQHSA-N 2 2 285.348 -2.039 20 0 CAADLP CC1(C)C(=O)NC[C@H]1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221370542 780419330 /nfs/dbraw/zinc/41/93/30/780419330.db2.gz SJYPQSLUZGKDNX-MRVPVSSYSA-N 2 2 254.334 -1.292 20 0 CAADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370824 780419356 /nfs/dbraw/zinc/41/93/56/780419356.db2.gz UNXALBMNJYVUDM-HTQZYQBOSA-N 2 2 253.262 -1.496 20 0 CAADLP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221370527 780419397 /nfs/dbraw/zinc/41/93/97/780419397.db2.gz SDCUFBHVANCPQA-DTWKUNHWSA-N 2 2 265.317 -1.080 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001221402603 780420262 /nfs/dbraw/zinc/42/02/62/780420262.db2.gz JMVXEFTVIMHCCZ-UHFFFAOYSA-N 3 2 270.377 -1.360 20 0 CAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408602 780420337 /nfs/dbraw/zinc/42/03/37/780420337.db2.gz JHVAAJSCEFBKPG-ONGXEEELSA-N 2 2 279.348 -1.426 20 0 CAADLP Cc1nnc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[nH]1 ZINC001221410710 780420594 /nfs/dbraw/zinc/42/05/94/780420594.db2.gz YOPPRJYBBRJRAO-KWQFWETISA-N 2 2 250.306 -1.319 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001221402374 780420619 /nfs/dbraw/zinc/42/06/19/780420619.db2.gz FHNPCBPSKXAJAJ-FZMZJTMJSA-N 3 2 282.388 -1.489 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001221402375 780420659 /nfs/dbraw/zinc/42/06/59/780420659.db2.gz FHNPCBPSKXAJAJ-RISCZKNCSA-N 3 2 282.388 -1.489 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001221402373 780420707 /nfs/dbraw/zinc/42/07/07/780420707.db2.gz FHNPCBPSKXAJAJ-BXUZGUMPSA-N 3 2 282.388 -1.489 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403094 780420775 /nfs/dbraw/zinc/42/07/75/780420775.db2.gz PRHCRQCOIJULOM-LBPRGKRZSA-N 3 2 295.387 -1.137 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001221402376 780420863 /nfs/dbraw/zinc/42/08/63/780420863.db2.gz FHNPCBPSKXAJAJ-SMDDNHRTSA-N 3 2 282.388 -1.489 20 0 CAADLP C(C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235054767 780488686 /nfs/dbraw/zinc/48/86/86/780488686.db2.gz XLBDGYWOWOQELZ-CYBMUJFWSA-N 2 2 254.378 -1.044 20 0 CAADLP C(C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC001235054767 780488689 /nfs/dbraw/zinc/48/86/89/780488689.db2.gz XLBDGYWOWOQELZ-CYBMUJFWSA-N 2 2 254.378 -1.044 20 0 CAADLP C(C[NH+]1CCOCC1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054767 780488695 /nfs/dbraw/zinc/48/86/95/780488695.db2.gz XLBDGYWOWOQELZ-CYBMUJFWSA-N 2 2 254.378 -1.044 20 0 CAADLP Cn1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC001235065611 780488736 /nfs/dbraw/zinc/48/87/36/780488736.db2.gz XXOSJDOSIYWEEN-CQSZACIVSA-N 2 2 293.371 -1.779 20 0 CAADLP Cn1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC001235065611 780488741 /nfs/dbraw/zinc/48/87/41/780488741.db2.gz XXOSJDOSIYWEEN-CQSZACIVSA-N 2 2 293.371 -1.779 20 0 CAADLP [NH3+][C@@H]1NC(CN2CC[NH2+]CCNCC[NH2+]CC2)=CS1 ZINC001235868522 780493457 /nfs/dbraw/zinc/49/34/57/780493457.db2.gz FPMSKTLBRCCPNL-GFCCVEGCSA-N 3 2 286.449 -1.509 20 0 CAADLP C(C[NH+]1CCOCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869920 780493513 /nfs/dbraw/zinc/49/35/13/780493513.db2.gz LMIYRTIPAMFBKV-UHFFFAOYSA-N 3 2 285.436 -1.597 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC[NH+]1CCOCC1 ZINC001236199177 780496835 /nfs/dbraw/zinc/49/68/35/780496835.db2.gz XRZDMSIXSRSPBA-MNOVXSKESA-N 2 2 257.334 -1.107 20 0 CAADLP COC(=O)[C@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001236342972 780496865 /nfs/dbraw/zinc/49/68/65/780496865.db2.gz OBKBLIZZWYBCDJ-WDEREUQCSA-N 2 2 257.334 -1.249 20 0 CAADLP COC(=O)[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC001236342961 780497026 /nfs/dbraw/zinc/49/70/26/780497026.db2.gz OBKBLIZZWYBCDJ-GHMZBOCLSA-N 2 2 257.334 -1.249 20 0 CAADLP COC(=O)[C@@H]1CN(CC2=CS[C@@H]([NH3+])N2)C[C@@H]1[NH3+] ZINC001236340185 780497045 /nfs/dbraw/zinc/49/70/45/780497045.db2.gz HXKRJPVEBJXQMC-WEDXCCLWSA-N 2 2 258.347 -1.161 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278012334 780498728 /nfs/dbraw/zinc/49/87/28/780498728.db2.gz BAMFKBULLQSIBS-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CNC(=O)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278012334 780498731 /nfs/dbraw/zinc/49/87/31/780498731.db2.gz BAMFKBULLQSIBS-RYUDHWBXSA-N 2 2 270.377 -1.321 20 0 CAADLP CNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278013774 780499315 /nfs/dbraw/zinc/49/93/15/780499315.db2.gz SMKSPJBAAKAHFJ-TXEJJXNPSA-N 2 2 270.377 -1.321 20 0 CAADLP CNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278013774 780499317 /nfs/dbraw/zinc/49/93/17/780499317.db2.gz SMKSPJBAAKAHFJ-TXEJJXNPSA-N 2 2 270.377 -1.321 20 0 CAADLP O=C(NC[C@H](CO)[NH2+]CCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001278105831 780506964 /nfs/dbraw/zinc/50/69/64/780506964.db2.gz PSBAZYOOQTVPSR-NWDGAFQWSA-N 2 2 296.371 -1.105 20 0 CAADLP O=C1CC[NH2+]C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238628476 780519916 /nfs/dbraw/zinc/51/99/16/780519916.db2.gz RJUMYKYRBZFSFX-JTQLQIEISA-N 2 2 275.374 -1.164 20 0 CAADLP O=C1CC[NH2+]C[C@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238626985 780520852 /nfs/dbraw/zinc/52/08/52/780520852.db2.gz JLWFBJOUIHJKDK-SECBINFHSA-N 2 2 261.347 -1.411 20 0 CAADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001238812872 780523540 /nfs/dbraw/zinc/52/35/40/780523540.db2.gz QQWOKLYVCNMAHP-JTQLQIEISA-N 3 2 276.406 -1.309 20 0 CAADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001238812872 780523545 /nfs/dbraw/zinc/52/35/45/780523545.db2.gz QQWOKLYVCNMAHP-JTQLQIEISA-N 3 2 276.406 -1.309 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NS(=O)(=O)CC[NH3+] ZINC001238746881 780523630 /nfs/dbraw/zinc/52/36/30/780523630.db2.gz UCMBXPQYZNQJRK-SECBINFHSA-N 2 2 290.345 -1.618 20 0 CAADLP C[N@@H+](C1CN(S(=O)(=O)CC[NH3+])C1)[C@@H]1CCOC1 ZINC001239097602 780529943 /nfs/dbraw/zinc/52/99/43/780529943.db2.gz JOPANOWXQDOUDS-SECBINFHSA-N 2 2 263.363 -1.320 20 0 CAADLP COC(=O)[C@@H]1C[NH2+]CCN1C(=S)NCC[NH+](C)C ZINC001239444008 780535563 /nfs/dbraw/zinc/53/55/63/780535563.db2.gz RWZOJLUMKBVPLB-VIFPVBQESA-N 2 2 274.390 -1.131 20 0 CAADLP O[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1F)C[NH+]1CCOCC1 ZINC001246013883 780539062 /nfs/dbraw/zinc/53/90/62/780539062.db2.gz ILDWPEAWJNPSRT-QJPTWQEYSA-N 2 2 261.341 -1.031 20 0 CAADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC[C@@H](O)C[NH+]2CCOCC2)N1 ZINC001245982823 780539303 /nfs/dbraw/zinc/53/93/03/780539303.db2.gz KAHCKCQYWQQAQQ-NTZNESFSSA-N 2 2 284.360 -2.153 20 0 CAADLP O[C@@]1(C[NH2+]C2CN(C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001245985288 780539767 /nfs/dbraw/zinc/53/97/67/780539767.db2.gz AUOHHUYYFGBXJZ-ZDUSSCGKSA-N 3 2 254.378 -1.263 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246004044 780539841 /nfs/dbraw/zinc/53/98/41/780539841.db2.gz AMUKOKUVQDBROM-JTQLQIEISA-N 3 2 259.350 -1.029 20 0 CAADLP O=C1C[C@@H]2[NH2+]CC[C@]2(NC[C@@H](O)C[NH+]2CCOCC2)N1 ZINC001245982820 780539924 /nfs/dbraw/zinc/53/99/24/780539924.db2.gz KAHCKCQYWQQAQQ-MDZLAQPJSA-N 2 2 284.360 -2.153 20 0 CAADLP O[C@@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023447 780540704 /nfs/dbraw/zinc/54/07/04/780540704.db2.gz DQOFPLGZAPREJS-KGLIPLIRSA-N 3 2 298.431 -1.511 20 0 CAADLP O[C@@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023447 780540710 /nfs/dbraw/zinc/54/07/10/780540710.db2.gz DQOFPLGZAPREJS-KGLIPLIRSA-N 3 2 298.431 -1.511 20 0 CAADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029899 780540766 /nfs/dbraw/zinc/54/07/66/780540766.db2.gz WSIOSXFWBDXBMU-KBPBESRZSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246029899 780540771 /nfs/dbraw/zinc/54/07/71/780540771.db2.gz WSIOSXFWBDXBMU-KBPBESRZSA-N 2 2 284.404 -1.683 20 0 CAADLP O[C@H](CN1CCN[C@]2(CC[NH2+]C2)C1)C[NH+]1CCOCC1 ZINC001246029899 780540775 /nfs/dbraw/zinc/54/07/75/780540775.db2.gz WSIOSXFWBDXBMU-KBPBESRZSA-N 2 2 284.404 -1.683 20 0 CAADLP COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC001246049542 780543232 /nfs/dbraw/zinc/54/32/32/780543232.db2.gz BMCBQESXXXRIDW-TUAOUCFPSA-N 2 2 287.360 -1.888 20 0 CAADLP O=S(=O)(CC[NH2+]C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001246104318 780543820 /nfs/dbraw/zinc/54/38/20/780543820.db2.gz XESWXNPGNSNZJJ-UHFFFAOYSA-N 3 2 276.406 -1.437 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246132503 780544677 /nfs/dbraw/zinc/54/46/77/780544677.db2.gz DIJKQKIEWUXEKE-KAMPLNKDSA-N 2 2 255.318 -1.534 20 0 CAADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100786 780544729 /nfs/dbraw/zinc/54/47/29/780544729.db2.gz NTKWLIFOKYHTAY-RYUDHWBXSA-N 3 2 290.433 -1.049 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C2(CO)CC[NH2+]CC2)CN1 ZINC001246109376 780544851 /nfs/dbraw/zinc/54/48/51/780544851.db2.gz BOXRQOXIIWBUBZ-ZJUUUORDSA-N 2 2 257.334 -1.406 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC2(CO)CC[NH2+]CC2)C[NH2+]1 ZINC001246109376 780544853 /nfs/dbraw/zinc/54/48/53/780544853.db2.gz BOXRQOXIIWBUBZ-ZJUUUORDSA-N 2 2 257.334 -1.406 20 0 CAADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1 ZINC001246146371 780545746 /nfs/dbraw/zinc/54/57/46/780545746.db2.gz RWXFZFKXJWYXDY-DUBDDPSESA-N 2 2 296.371 -1.162 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2COCCC23C[NH2+]C3)C[NH2+]1 ZINC001246139125 780545825 /nfs/dbraw/zinc/54/58/25/780545825.db2.gz RQVGJBLJWCWNRA-GARJFASQSA-N 2 2 269.345 -1.142 20 0 CAADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246138438 780545886 /nfs/dbraw/zinc/54/58/86/780545886.db2.gz MHBQWBDDZRGWBV-OGBGREFGSA-N 2 2 255.318 -1.534 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246138438 780545887 /nfs/dbraw/zinc/54/58/87/780545887.db2.gz MHBQWBDDZRGWBV-OGBGREFGSA-N 2 2 255.318 -1.534 20 0 CAADLP CC[C@]1(C(=O)OC)C[C@H](N[C@]23CC[NH2+][C@H]2CC(=O)N3)C[NH2+]1 ZINC001246146375 780546092 /nfs/dbraw/zinc/54/60/92/780546092.db2.gz RWXFZFKXJWYXDY-ZNIXKSQXSA-N 2 2 296.371 -1.162 20 0 CAADLP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[NH2+][C@@H]3CCO[C@@H]31)CCN2 ZINC001246149554 780546096 /nfs/dbraw/zinc/54/60/96/780546096.db2.gz CXINPKDISONYND-WYUUTHIRSA-N 3 2 252.362 -1.201 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@]23C[NH2+][C@@H](CO2)C3)CN1 ZINC001246150990 780546211 /nfs/dbraw/zinc/54/62/11/780546211.db2.gz VDWXZFJOHHRBLI-SVDPJWKOSA-N 2 2 255.318 -1.390 20 0 CAADLP COC(=O)[C@@H]1C[C@H](NC2(C(=O)OC)CC[NH2+]CC2)C[NH2+]1 ZINC001246191408 780547536 /nfs/dbraw/zinc/54/75/36/780547536.db2.gz QXYUWTSQLVDRPW-UWVGGRQHSA-N 2 2 285.344 -1.225 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CN1 ZINC001246228879 780547945 /nfs/dbraw/zinc/54/79/45/780547945.db2.gz HFEIGJBMTXLTEA-NEPJUHHUSA-N 2 2 271.361 -1.064 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C[C@H]2OC)C[NH2+]1 ZINC001246218390 780548043 /nfs/dbraw/zinc/54/80/43/780548043.db2.gz PVDLSKSTBJLZNH-CHWFTXMASA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246218390 780548047 /nfs/dbraw/zinc/54/80/47/780548047.db2.gz PVDLSKSTBJLZNH-CHWFTXMASA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H](CCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246208696 780548156 /nfs/dbraw/zinc/54/81/56/780548156.db2.gz FGNZYIIFSJYVCO-BBBLOLIVSA-N 2 2 273.333 -1.240 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CN1 ZINC001246235861 780549311 /nfs/dbraw/zinc/54/93/11/780549311.db2.gz SHWGIGMSFAEABR-ZJUUUORDSA-N 2 2 269.349 -1.338 20 0 CAADLP NC(=O)c1nc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246245729 780549701 /nfs/dbraw/zinc/54/97/01/780549701.db2.gz SZZFSJSFSMPLNC-SSDOTTSWSA-N 2 2 266.305 -1.648 20 0 CAADLP CCOC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246245938 780549895 /nfs/dbraw/zinc/54/98/95/780549895.db2.gz BLHLLDNKGYYJSF-ZJUUUORDSA-N 2 2 285.344 -1.225 20 0 CAADLP CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246256961 780550047 /nfs/dbraw/zinc/55/00/47/780550047.db2.gz SMWPLYUQKNYHIR-LBPRGKRZSA-N 2 2 290.433 -1.095 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)CN1 ZINC001246234098 780550065 /nfs/dbraw/zinc/55/00/65/780550065.db2.gz VYVKTOKVGFBZBI-JFGNBEQYSA-N 2 2 257.334 -1.406 20 0 CAADLP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246256959 780550209 /nfs/dbraw/zinc/55/02/09/780550209.db2.gz SMWPLYUQKNYHIR-GFCCVEGCSA-N 2 2 290.433 -1.095 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N[C@@]2(CCO)CC[NH2+]C2)C[NH2+]1 ZINC001246294828 780550536 /nfs/dbraw/zinc/55/05/36/780550536.db2.gz NMMLVSAIMQIBPR-JBLDHEPKSA-N 2 2 257.334 -1.406 20 0 CAADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246301489 780551053 /nfs/dbraw/zinc/55/10/53/780551053.db2.gz XZCHRYMSPDWRGM-CHWFTXMASA-N 2 2 285.344 -1.369 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2OC)C[NH2+]1 ZINC001246350522 780552266 /nfs/dbraw/zinc/55/22/66/780552266.db2.gz PVDLSKSTBJLZNH-VPOLOUISSA-N 2 2 257.334 -1.144 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2OC)CN1 ZINC001246350522 780552269 /nfs/dbraw/zinc/55/22/69/780552269.db2.gz PVDLSKSTBJLZNH-VPOLOUISSA-N 2 2 257.334 -1.144 20 0 CAADLP CCOC(=O)C1=C(N[C@H]2C[NH2+][C@@H](C(=O)OC)C2)C[NH2+]C1 ZINC001246349351 780552342 /nfs/dbraw/zinc/55/23/42/780552342.db2.gz KLRCZERWIRKYKO-PSASIEDQSA-N 2 2 283.328 -1.100 20 0 CAADLP COC(=O)[C@H](CCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246400358 780553447 /nfs/dbraw/zinc/55/34/47/780553447.db2.gz FGNZYIIFSJYVCO-UTLUCORTSA-N 2 2 273.333 -1.240 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](n2cc(C[NH3+])cnc2=N)C[NH2+]1 ZINC001246375225 780554194 /nfs/dbraw/zinc/55/41/94/780554194.db2.gz XBPQSCDRQQUVHL-BDAKNGLRSA-N 2 2 251.290 -1.103 20 0 CAADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC[NH2+]1 ZINC001246493664 780554821 /nfs/dbraw/zinc/55/48/21/780554821.db2.gz SNKKQQQAHHCRBP-BDAKNGLRSA-N 2 2 285.348 -2.566 20 0 CAADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CCN1 ZINC001246487538 780555101 /nfs/dbraw/zinc/55/51/01/780555101.db2.gz GQXKHJBJXRVQGX-WOPDTQHZSA-N 2 2 270.377 -1.179 20 0 CAADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2)CN1 ZINC001246487603 780555394 /nfs/dbraw/zinc/55/53/94/780555394.db2.gz HNWVZVJUZXTPMR-SRVKXCTJSA-N 2 2 270.377 -1.179 20 0 CAADLP COC[C@@H]1C[C@@H](N[C@H]2C[NH2+][C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246465520 780555646 /nfs/dbraw/zinc/55/56/46/780555646.db2.gz NREVNTMOMNXJTE-ZNSHCXBVSA-N 2 2 257.334 -1.144 20 0 CAADLP C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CCC[NH2+]C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001246526403 780556444 /nfs/dbraw/zinc/55/64/44/780556444.db2.gz PZUSVBAQHIEPES-RQVGPUOWSA-N 2 2 290.360 -1.828 20 0 CAADLP NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[NH2+]C3(CNC3)C2)cn1 ZINC001246527881 780556982 /nfs/dbraw/zinc/55/69/82/780556982.db2.gz ZJQYTQCGMBJHKP-MNOVXSKESA-N 2 2 278.360 -1.495 20 0 CAADLP C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CCC[NH2+]C2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001246526404 780557372 /nfs/dbraw/zinc/55/73/72/780557372.db2.gz PZUSVBAQHIEPES-ZSIRSIGDSA-N 2 2 290.360 -1.828 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(N)=O)c2)C[NH2+]1 ZINC001246525720 780557455 /nfs/dbraw/zinc/55/74/55/780557455.db2.gz SAMMAHXOVYAQRB-UTLUCORTSA-N 2 2 281.316 -1.686 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632652 780560465 /nfs/dbraw/zinc/56/04/65/780560465.db2.gz WCPXHBGBXZVRJI-DZGCQCFKSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632652 780560471 /nfs/dbraw/zinc/56/04/71/780560471.db2.gz WCPXHBGBXZVRJI-DZGCQCFKSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632654 780560678 /nfs/dbraw/zinc/56/06/78/780560678.db2.gz WCPXHBGBXZVRJI-HIFRSBDPSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632654 780560679 /nfs/dbraw/zinc/56/06/79/780560679.db2.gz WCPXHBGBXZVRJI-HIFRSBDPSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632655 780560742 /nfs/dbraw/zinc/56/07/42/780560742.db2.gz WCPXHBGBXZVRJI-UKRRQHHQSA-N 3 2 296.415 -1.229 20 0 CAADLP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632655 780560749 /nfs/dbraw/zinc/56/07/49/780560749.db2.gz WCPXHBGBXZVRJI-UKRRQHHQSA-N 3 2 296.415 -1.229 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@@H](C(N)=O)C2)C[NH2+]1 ZINC001246797901 780561195 /nfs/dbraw/zinc/56/11/95/780561195.db2.gz QEWZMEQKCPBTLR-HRDYMLBCSA-N 2 2 256.306 -2.351 20 0 CAADLP [NH3+][C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990790 780565739 /nfs/dbraw/zinc/56/57/39/780565739.db2.gz QPSQBPUNONXYRO-MNOVXSKESA-N 3 2 252.362 -1.260 20 0 CAADLP [NH3+][C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990790 780565745 /nfs/dbraw/zinc/56/57/45/780565745.db2.gz QPSQBPUNONXYRO-MNOVXSKESA-N 3 2 252.362 -1.260 20 0 CAADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990789 780565905 /nfs/dbraw/zinc/56/59/05/780565905.db2.gz QPSQBPUNONXYRO-GHMZBOCLSA-N 3 2 252.362 -1.260 20 0 CAADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990789 780565912 /nfs/dbraw/zinc/56/59/12/780565912.db2.gz QPSQBPUNONXYRO-GHMZBOCLSA-N 3 2 252.362 -1.260 20 0 CAADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1[NH3+] ZINC001246949759 780565936 /nfs/dbraw/zinc/56/59/36/780565936.db2.gz UYDUGHIXWVLMRY-WOPDTQHZSA-N 3 2 282.388 -1.097 20 0 CAADLP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1[NH3+] ZINC001246949759 780565941 /nfs/dbraw/zinc/56/59/41/780565941.db2.gz UYDUGHIXWVLMRY-WOPDTQHZSA-N 3 2 282.388 -1.097 20 0 CAADLP C[NH+](C)C[C@H]1COCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC001251021703 780570828 /nfs/dbraw/zinc/57/08/28/780570828.db2.gz SWOYXYSGMJNQTM-UONOGXRCSA-N 2 2 287.404 -1.058 20 0 CAADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C[C@H](O)CO)CCC2 ZINC001252058565 780581116 /nfs/dbraw/zinc/58/11/16/780581116.db2.gz DKNBOMJNNJILCJ-LBPRGKRZSA-N 2 2 296.371 -1.136 20 0 CAADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C[C@H](O)CO)CCC2 ZINC001252058565 780581119 /nfs/dbraw/zinc/58/11/19/780581119.db2.gz DKNBOMJNNJILCJ-LBPRGKRZSA-N 2 2 296.371 -1.136 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001278767352 780601358 /nfs/dbraw/zinc/60/13/58/780601358.db2.gz GXARZTSWEQXTHP-LLVKDONJSA-N 2 2 270.333 -1.257 20 0 CAADLP CN(C[C@H](O)C[NH2+]CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001278767352 780601360 /nfs/dbraw/zinc/60/13/60/780601360.db2.gz GXARZTSWEQXTHP-LLVKDONJSA-N 2 2 270.333 -1.257 20 0 CAADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001256321838 780623007 /nfs/dbraw/zinc/62/30/07/780623007.db2.gz QUJIIPFTVRLVOJ-HBNTYKKESA-N 2 2 257.334 -1.061 20 0 CAADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001262006123 780696574 /nfs/dbraw/zinc/69/65/74/780696574.db2.gz ACTFZFXNKSTPEP-NXEZZACHSA-N 2 2 256.350 -1.222 20 0 CAADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001262006126 780696647 /nfs/dbraw/zinc/69/66/47/780696647.db2.gz ACTFZFXNKSTPEP-ZJUUUORDSA-N 2 2 256.350 -1.222 20 0 CAADLP COC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001263107702 780721696 /nfs/dbraw/zinc/72/16/96/780721696.db2.gz CVXRVQCULKKLQG-UWVGGRQHSA-N 2 2 267.333 -1.133 20 0 CAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H](O)C[NH3+] ZINC001263154878 780722661 /nfs/dbraw/zinc/72/26/61/780722661.db2.gz GUHQUAAONSXWKR-NSHDSACASA-N 3 2 260.382 -1.304 20 0 CAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H](O)C[NH3+] ZINC001263154878 780722668 /nfs/dbraw/zinc/72/26/68/780722668.db2.gz GUHQUAAONSXWKR-NSHDSACASA-N 3 2 260.382 -1.304 20 0 CAADLP CN1CC[NH2+]C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001263155551 780722682 /nfs/dbraw/zinc/72/26/82/780722682.db2.gz YMQXBPPCIXBFHS-CYBMUJFWSA-N 3 2 285.436 -1.110 20 0 CAADLP CN1CC[NH2+]C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001263155551 780722691 /nfs/dbraw/zinc/72/26/91/780722691.db2.gz YMQXBPPCIXBFHS-CYBMUJFWSA-N 3 2 285.436 -1.110 20 0 CAADLP C[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@@H]1C[NH3+] ZINC001263214362 780724755 /nfs/dbraw/zinc/72/47/55/780724755.db2.gz OVSYSETWXIHZQY-WDEREUQCSA-N 2 2 268.361 -1.139 20 0 CAADLP C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(N)=O ZINC001265819423 780760054 /nfs/dbraw/zinc/76/00/54/780760054.db2.gz JJYUSHVZBIYURK-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)CC(N)=O ZINC001265819423 780760058 /nfs/dbraw/zinc/76/00/58/780760058.db2.gz JJYUSHVZBIYURK-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC(N)=O ZINC001265819423 780760061 /nfs/dbraw/zinc/76/00/61/780760061.db2.gz JJYUSHVZBIYURK-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC(N)=O ZINC001265819423 780760064 /nfs/dbraw/zinc/76/00/64/780760064.db2.gz JJYUSHVZBIYURK-JTQLQIEISA-N 2 2 272.349 -1.760 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001265830095 780760278 /nfs/dbraw/zinc/76/02/78/780760278.db2.gz NTOXFEMZHFBKBF-PSASIEDQSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001265830096 780760338 /nfs/dbraw/zinc/76/03/38/780760338.db2.gz NTOXFEMZHFBKBF-SCZZXKLOSA-N 2 2 265.317 -1.065 20 0 CAADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001265872868 780763179 /nfs/dbraw/zinc/76/31/79/780763179.db2.gz ILSLNIDQYUTWFP-RKDXNWHRSA-N 2 2 253.306 -1.149 20 0 CAADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001265872866 780763554 /nfs/dbraw/zinc/76/35/54/780763554.db2.gz ILSLNIDQYUTWFP-DTWKUNHWSA-N 2 2 253.306 -1.149 20 0 CAADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001282220323 780813882 /nfs/dbraw/zinc/81/38/82/780813882.db2.gz PFCFIFUDRWSHAF-BDAKNGLRSA-N 2 2 267.333 -1.069 20 0 CAADLP Cn1cnnc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350221 781362871 /nfs/dbraw/zinc/36/28/71/781362871.db2.gz REVOQCFHYUOHTI-UHFFFAOYSA-N 2 2 296.375 -1.257 20 0 CAADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1cnon1 ZINC001135352661 781363356 /nfs/dbraw/zinc/36/33/56/781363356.db2.gz MPOXBJCLLGXJAX-UHFFFAOYSA-N 2 2 283.332 -1.002 20 0 CAADLP Cn1ncc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)n1 ZINC001135349920 781363491 /nfs/dbraw/zinc/36/34/91/781363491.db2.gz HZLMFTQVMLNFSA-UHFFFAOYSA-N 2 2 296.375 -1.257 20 0 CAADLP Cn1cc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)nn1 ZINC001135352142 781363846 /nfs/dbraw/zinc/36/38/46/781363846.db2.gz BRELCPWTRUOUKL-UHFFFAOYSA-N 2 2 296.375 -1.257 20 0 CAADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnnn1C ZINC001135508355 781372464 /nfs/dbraw/zinc/37/24/64/781372464.db2.gz MFQHBQHGCNYLOI-UHFFFAOYSA-N 2 2 269.353 -1.242 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537224 781382417 /nfs/dbraw/zinc/38/24/17/781382417.db2.gz PYTXRTHABKVXBJ-UHFFFAOYSA-N 2 2 296.331 -1.367 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537224 781382423 /nfs/dbraw/zinc/38/24/23/781382423.db2.gz PYTXRTHABKVXBJ-UHFFFAOYSA-N 2 2 296.331 -1.367 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+][C@@H]1CCNC1=O ZINC001135754446 781383335 /nfs/dbraw/zinc/38/33/35/781383335.db2.gz CNXHLTPBWOFFMS-MRVPVSSYSA-N 2 2 251.290 -1.454 20 0 CAADLP CS(=O)(=O)NCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757378 781383361 /nfs/dbraw/zinc/38/33/61/781383361.db2.gz AAZKZSNXMNAXTR-UHFFFAOYSA-N 2 2 289.361 -1.793 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135766024 781383869 /nfs/dbraw/zinc/38/38/69/781383869.db2.gz GCCYRVXXPYDQIA-NSHDSACASA-N 2 2 292.343 -1.084 20 0 CAADLP CCOCCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760269 781383953 /nfs/dbraw/zinc/38/39/53/781383953.db2.gz KONGOLDDSRSUQP-UHFFFAOYSA-N 2 2 297.359 -1.189 20 0 CAADLP CC(=O)NCCOCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757797 781384304 /nfs/dbraw/zinc/38/43/04/781384304.db2.gz PXHPLLRZJZLSAH-UHFFFAOYSA-N 2 2 297.359 -1.189 20 0 CAADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757688 781384321 /nfs/dbraw/zinc/38/43/21/781384321.db2.gz LTYCUHOTGAFINT-MRVPVSSYSA-N 2 2 253.306 -1.208 20 0 CAADLP COC[C@H](O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754804 781384604 /nfs/dbraw/zinc/38/46/04/781384604.db2.gz IHYPSIUMPCOSLU-SECBINFHSA-N 2 2 256.306 -1.335 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090599124 781411243 /nfs/dbraw/zinc/41/12/43/781411243.db2.gz DCQVVEHINMBDPI-VXGBXAGGSA-N 2 2 282.344 -1.114 20 0 CAADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090599124 781411248 /nfs/dbraw/zinc/41/12/48/781411248.db2.gz DCQVVEHINMBDPI-VXGBXAGGSA-N 2 2 282.344 -1.114 20 0 CAADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CN1 ZINC001246161797 781412260 /nfs/dbraw/zinc/41/22/60/781412260.db2.gz LMLMUUCMRUDLIN-NEPJUHHUSA-N 2 2 289.376 -1.844 20 0 CAADLP COC(=O)[C@@H]1C[C@H](NC2(C[NH3+])CC[NH2+]CC2)C[NH2+]1 ZINC001246235764 781419957 /nfs/dbraw/zinc/41/99/57/781419957.db2.gz LBZRODNZRAHVHW-UWVGGRQHSA-N 3 2 256.350 -1.440 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](NC2(C[NH3+])CC[NH2+]CC2)C[NH2+]1 ZINC001246235765 781420489 /nfs/dbraw/zinc/42/04/89/781420489.db2.gz LBZRODNZRAHVHW-ZJUUUORDSA-N 3 2 256.350 -1.440 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090678000 781421468 /nfs/dbraw/zinc/42/14/68/781421468.db2.gz CUKMSOLNDBJMRR-ZJUUUORDSA-N 2 2 268.317 -1.504 20 0 CAADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090678000 781421473 /nfs/dbraw/zinc/42/14/73/781421473.db2.gz CUKMSOLNDBJMRR-ZJUUUORDSA-N 2 2 268.317 -1.504 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090728452 781426235 /nfs/dbraw/zinc/42/62/35/781426235.db2.gz SCLGFUDSMCSBNJ-STQMWFEESA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090728452 781426239 /nfs/dbraw/zinc/42/62/39/781426239.db2.gz SCLGFUDSMCSBNJ-STQMWFEESA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090728461 781426259 /nfs/dbraw/zinc/42/62/59/781426259.db2.gz SIWWKKHKTVWFLE-NEPJUHHUSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090728461 781426267 /nfs/dbraw/zinc/42/62/67/781426267.db2.gz SIWWKKHKTVWFLE-NEPJUHHUSA-N 2 2 282.344 -1.494 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731356 781426632 /nfs/dbraw/zinc/42/66/32/781426632.db2.gz QHRKKAYBLNVDCW-MNOVXSKESA-N 2 2 296.371 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731356 781426638 /nfs/dbraw/zinc/42/66/38/781426638.db2.gz QHRKKAYBLNVDCW-MNOVXSKESA-N 2 2 296.371 -1.881 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090728451 781426783 /nfs/dbraw/zinc/42/67/83/781426783.db2.gz SCLGFUDSMCSBNJ-QWHCGFSZSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090728451 781426785 /nfs/dbraw/zinc/42/67/85/781426785.db2.gz SCLGFUDSMCSBNJ-QWHCGFSZSA-N 2 2 296.371 -1.104 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090728463 781427412 /nfs/dbraw/zinc/42/74/12/781427412.db2.gz SIWWKKHKTVWFLE-RYUDHWBXSA-N 2 2 282.344 -1.494 20 0 CAADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090728463 781427416 /nfs/dbraw/zinc/42/74/16/781427416.db2.gz SIWWKKHKTVWFLE-RYUDHWBXSA-N 2 2 282.344 -1.494 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090765051 781429441 /nfs/dbraw/zinc/42/94/41/781429441.db2.gz USMFARQUPTZZQF-PWSUYJOCSA-N 2 2 282.344 -1.196 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090765051 781429450 /nfs/dbraw/zinc/42/94/50/781429450.db2.gz USMFARQUPTZZQF-PWSUYJOCSA-N 2 2 282.344 -1.196 20 0 CAADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818905 781435389 /nfs/dbraw/zinc/43/53/89/781435389.db2.gz XOLDKQNCYSAXKC-GHMZBOCLSA-N 2 2 284.360 -1.881 20 0 CAADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090818905 781435393 /nfs/dbraw/zinc/43/53/93/781435393.db2.gz XOLDKQNCYSAXKC-GHMZBOCLSA-N 2 2 284.360 -1.881 20 0 CAADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812230 781435404 /nfs/dbraw/zinc/43/54/04/781435404.db2.gz FZNTXJNIJKVUFM-NEPJUHHUSA-N 2 2 298.387 -1.620 20 0 CAADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090812230 781435408 /nfs/dbraw/zinc/43/54/08/781435408.db2.gz FZNTXJNIJKVUFM-NEPJUHHUSA-N 2 2 298.387 -1.620 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090848404 781437154 /nfs/dbraw/zinc/43/71/54/781437154.db2.gz GCNFUHPCNXSELV-QWRGUYRKSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090848404 781437157 /nfs/dbraw/zinc/43/71/57/781437157.db2.gz GCNFUHPCNXSELV-QWRGUYRKSA-N 2 2 268.317 -1.573 20 0 CAADLP O=C(N1CCC2(C1)OCCO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160471135 781440427 /nfs/dbraw/zinc/44/04/27/781440427.db2.gz PULXCAVZFXPOST-MFKMUULPSA-N 2 2 267.329 -1.087 20 0 CAADLP C[C@H]1C(=O)NCCN1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160451660 781440962 /nfs/dbraw/zinc/44/09/62/781440962.db2.gz SXBNCPWNOBOYNK-GXSJLCMTSA-N 2 2 283.376 -1.916 20 0 CAADLP C[C@@H]1C(=O)NCCN1C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160451662 781441092 /nfs/dbraw/zinc/44/10/92/781441092.db2.gz SXBNCPWNOBOYNK-MWLCHTKSSA-N 2 2 283.376 -1.916 20 0 CAADLP C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160451663 781441169 /nfs/dbraw/zinc/44/11/69/781441169.db2.gz SXBNCPWNOBOYNK-ONGXEEELSA-N 2 2 283.376 -1.916 20 0 CAADLP CC1(C)C(=O)NCCN1C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160477664 781441961 /nfs/dbraw/zinc/44/19/61/781441961.db2.gz ASRKVKNPRPEDSM-NSHDSACASA-N 2 2 297.403 -1.526 20 0 CAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144141724 781444346 /nfs/dbraw/zinc/44/43/46/781444346.db2.gz GGTSLRREZYQWDQ-VIFPVBQESA-N 2 2 257.338 -1.351 20 0 CAADLP C[C@H]1COCC[N@H+]1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144141724 781444352 /nfs/dbraw/zinc/44/43/52/781444352.db2.gz GGTSLRREZYQWDQ-VIFPVBQESA-N 2 2 257.338 -1.351 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144134995 781444719 /nfs/dbraw/zinc/44/47/19/781444719.db2.gz BOCJRXXDYFJSRA-QMMMGPOBSA-N 2 2 271.321 -1.873 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144134995 781444723 /nfs/dbraw/zinc/44/47/23/781444723.db2.gz BOCJRXXDYFJSRA-QMMMGPOBSA-N 2 2 271.321 -1.873 20 0 CAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CN(C)C(N)=[NH2+] ZINC001144143951 781446050 /nfs/dbraw/zinc/44/60/50/781446050.db2.gz WKSJRAUZTIAEQB-SECBINFHSA-N 2 2 296.331 -1.554 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160531078 781446796 /nfs/dbraw/zinc/44/67/96/781446796.db2.gz FEYOMWPPHRCVMF-FZMZJTMJSA-N 2 2 296.371 -1.745 20 0 CAADLP COC(=O)CN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160531086 781447364 /nfs/dbraw/zinc/44/73/64/781447364.db2.gz FEYOMWPPHRCVMF-SMDDNHRTSA-N 2 2 296.371 -1.745 20 0 CAADLP COC(=O)C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160596763 781455127 /nfs/dbraw/zinc/45/51/27/781455127.db2.gz VWIWVACFRABDQE-MISXGVKJSA-N 2 2 297.355 -1.272 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160643870 781457910 /nfs/dbraw/zinc/45/79/10/781457910.db2.gz OWFYWMAPUPPGLH-VHSXEESVSA-N 3 2 253.306 -1.534 20 0 CAADLP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160643809 781458094 /nfs/dbraw/zinc/45/80/94/781458094.db2.gz NRJFXLLCKVMGEG-NHCYSSNCSA-N 3 2 254.334 -1.876 20 0 CAADLP O=C(N1CC(N2CCNC(=O)C2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160638171 781458636 /nfs/dbraw/zinc/45/86/36/781458636.db2.gz XSZABHDITYYEDD-YGRLFVJLSA-N 2 2 293.371 -2.420 20 0 CAADLP CS(=O)(=O)NC1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160658391 781462880 /nfs/dbraw/zinc/46/28/80/781462880.db2.gz WINVYWNSHVTEGT-KWQFWETISA-N 2 2 288.373 -2.302 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCO1 ZINC001160705320 781463525 /nfs/dbraw/zinc/46/35/25/781463525.db2.gz VGASXUPWFSDXIX-NWDGAFQWSA-N 2 2 292.339 -1.029 20 0 CAADLP NC(=O)[C@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCO1 ZINC001160705322 781463652 /nfs/dbraw/zinc/46/36/52/781463652.db2.gz VGASXUPWFSDXIX-VXGBXAGGSA-N 2 2 292.339 -1.029 20 0 CAADLP COC(CN(C)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)OC ZINC001160685899 781464615 /nfs/dbraw/zinc/46/46/15/781464615.db2.gz IXOGLTCHKYDNGO-NSHDSACASA-N 2 2 288.392 -1.186 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171237346 781466066 /nfs/dbraw/zinc/46/60/66/781466066.db2.gz GFQVOHAXGSKERC-UHFFFAOYSA-N 2 2 296.331 -1.747 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171238074 781467018 /nfs/dbraw/zinc/46/70/18/781467018.db2.gz LGJDYEWBSLBAAM-NSHDSACASA-N 2 2 279.344 -1.053 20 0 CAADLP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627274 781476414 /nfs/dbraw/zinc/47/64/14/781476414.db2.gz UWCQIFLANKQCPQ-NQBHXWOUSA-N 3 2 268.361 -1.473 20 0 CAADLP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627283 781476540 /nfs/dbraw/zinc/47/65/40/781476540.db2.gz UWCQIFLANKQCPQ-WZRBSPASSA-N 3 2 268.361 -1.473 20 0 CAADLP COC(=O)[C@@H]1C[C@H](N2CCNC(=O)C23C[NH2+]C3)C[NH2+]1 ZINC001246637881 781479008 /nfs/dbraw/zinc/47/90/08/781479008.db2.gz QAFGZINNVPIOGI-IUCAKERBSA-N 2 2 268.317 -2.336 20 0 CAADLP COC(=O)[C@@H]1C[C@@H](N2CC(N3CC[NH+](C)CC3)C2)C[NH2+]1 ZINC001246930413 781510962 /nfs/dbraw/zinc/51/09/62/781510962.db2.gz ADZWMNBRHAGGEA-YPMHNXCESA-N 2 2 282.388 -1.179 20 0 CAADLP COC[C@H](O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124566 781511959 /nfs/dbraw/zinc/51/19/59/781511959.db2.gz UXMNLXQJKBYDIG-SNVBAGLBSA-N 2 2 270.333 -1.026 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOCCO ZINC001149124936 781514766 /nfs/dbraw/zinc/51/47/66/781514766.db2.gz XYTRSUCLWZDVSQ-UHFFFAOYSA-N 2 2 270.333 -1.025 20 0 CAADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001149124972 781515983 /nfs/dbraw/zinc/51/59/83/781515983.db2.gz ZDXWFVGWBHUVEA-VIFPVBQESA-N 2 2 265.317 -1.145 20 0 CAADLP CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871611 781524270 /nfs/dbraw/zinc/52/42/70/781524270.db2.gz DYCZFTKLGOMPMC-UHFFFAOYSA-N 2 2 267.333 -1.196 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001147871528 781525200 /nfs/dbraw/zinc/52/52/00/781525200.db2.gz AMVSNTGUKXLAEG-UHFFFAOYSA-N 2 2 279.344 -1.053 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001147871664 781525219 /nfs/dbraw/zinc/52/52/19/781525219.db2.gz HGLUNAXNYMOVHT-UHFFFAOYSA-N 2 2 288.373 -1.287 20 0 CAADLP CN(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871846 781525235 /nfs/dbraw/zinc/52/52/35/781525235.db2.gz OSGVXQJQIMPNPF-UHFFFAOYSA-N 2 2 267.333 -1.243 20 0 CAADLP COC[C@H](O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871771 781525425 /nfs/dbraw/zinc/52/54/25/781525425.db2.gz LKHAAWQMOLCYIZ-LLVKDONJSA-N 2 2 270.333 -1.324 20 0 CAADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001147877737 781525461 /nfs/dbraw/zinc/52/54/61/781525461.db2.gz OEKGEJHVTYORLY-UHFFFAOYSA-N 2 2 277.332 -1.040 20 0 CAADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001147871850 781525495 /nfs/dbraw/zinc/52/54/95/781525495.db2.gz OUVIPXAQPMFAJD-QMMMGPOBSA-N 2 2 253.306 -1.458 20 0 CAADLP CNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871922 781525684 /nfs/dbraw/zinc/52/56/84/781525684.db2.gz RZSVZJUZXQWXLU-UHFFFAOYSA-N 2 2 253.306 -1.586 20 0 CAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085278 781527034 /nfs/dbraw/zinc/52/70/34/781527034.db2.gz SCQQAUFZPOHUMN-GUBZILKMSA-N 2 2 264.285 -1.184 20 0 CAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161139019 781538096 /nfs/dbraw/zinc/53/80/96/781538096.db2.gz JEWQTDCJSABJNY-KWQFWETISA-N 3 2 290.389 -1.892 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139431 781538156 /nfs/dbraw/zinc/53/81/56/781538156.db2.gz TXIXREHIPZKOSM-ZWNOBZJWSA-N 3 2 284.360 -1.584 20 0 CAADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001148638740 781539212 /nfs/dbraw/zinc/53/92/12/781539212.db2.gz PQIHIMREXRDFGO-UHFFFAOYSA-N 2 2 284.364 -1.344 20 0 CAADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001148638740 781539217 /nfs/dbraw/zinc/53/92/17/781539217.db2.gz PQIHIMREXRDFGO-UHFFFAOYSA-N 2 2 284.364 -1.344 20 0 CAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138604 781539326 /nfs/dbraw/zinc/53/93/26/781539326.db2.gz WWEJSVWVUFUEKZ-JOYOIKCWSA-N 3 2 272.349 -1.455 20 0 CAADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521781 781547347 /nfs/dbraw/zinc/54/73/47/781547347.db2.gz DJTMTFFWUSJLJG-IJLUTSLNSA-N 2 2 298.387 -1.514 20 0 CAADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521781 781547350 /nfs/dbraw/zinc/54/73/50/781547350.db2.gz DJTMTFFWUSJLJG-IJLUTSLNSA-N 2 2 298.387 -1.514 20 0 CAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092521781 781547354 /nfs/dbraw/zinc/54/73/54/781547354.db2.gz DJTMTFFWUSJLJG-IJLUTSLNSA-N 2 2 298.387 -1.514 20 0 CAADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092521781 781547358 /nfs/dbraw/zinc/54/73/58/781547358.db2.gz DJTMTFFWUSJLJG-IJLUTSLNSA-N 2 2 298.387 -1.514 20 0 CAADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000715238599 781555868 /nfs/dbraw/zinc/55/58/68/781555868.db2.gz MYMBFLRMGXFEEI-UHFFFAOYSA-N 2 2 289.401 -1.074 20 0 CAADLP COCCC[NH+]1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001172250604 781576286 /nfs/dbraw/zinc/57/62/86/781576286.db2.gz ZCISMOYIBSRDGA-UHFFFAOYSA-N 2 2 286.376 -1.322 20 0 CAADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CC(N)=O ZINC001175003980 781587792 /nfs/dbraw/zinc/58/77/92/781587792.db2.gz ZTFFAZBATWJCSO-UHFFFAOYSA-N 2 2 267.333 -1.066 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176071828 781597999 /nfs/dbraw/zinc/59/79/99/781597999.db2.gz ISXXYDRTTBFHJY-JTQLQIEISA-N 2 2 281.364 -1.242 20 0 CAADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176071828 781598006 /nfs/dbraw/zinc/59/80/06/781598006.db2.gz ISXXYDRTTBFHJY-JTQLQIEISA-N 2 2 281.364 -1.242 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001177405332 781618848 /nfs/dbraw/zinc/61/88/48/781618848.db2.gz MUEWXLCHBMZKHZ-JTQLQIEISA-N 2 2 293.327 -1.216 20 0 CAADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001177404498 781619159 /nfs/dbraw/zinc/61/91/59/781619159.db2.gz BLQXHKYLEGDOKI-SECBINFHSA-N 2 2 253.306 -1.147 20 0 CAADLP NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400935 781619390 /nfs/dbraw/zinc/61/93/90/781619390.db2.gz OIAWHFSTVLRFTA-UHFFFAOYSA-N 2 2 282.304 -1.826 20 0 CAADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001177405338 781619550 /nfs/dbraw/zinc/61/95/50/781619550.db2.gz MUEWXLCHBMZKHZ-SNVBAGLBSA-N 2 2 293.327 -1.216 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178415038 781634865 /nfs/dbraw/zinc/63/48/65/781634865.db2.gz ZATYAFOIGWRKRW-SDDRHHMPSA-N 2 2 298.387 -1.358 20 0 CAADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178415038 781634867 /nfs/dbraw/zinc/63/48/67/781634867.db2.gz ZATYAFOIGWRKRW-SDDRHHMPSA-N 2 2 298.387 -1.358 20 0 CAADLP CC[NH+](CC)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001180390901 781664360 /nfs/dbraw/zinc/66/43/60/781664360.db2.gz BNQQWJPYABYLHQ-VWYCJHECSA-N 2 2 256.354 -2.153 20 0 CAADLP CC[NH+](CC)CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001180390899 781664841 /nfs/dbraw/zinc/66/48/41/781664841.db2.gz BNQQWJPYABYLHQ-OUAUKWLOSA-N 2 2 256.354 -2.153 20 0 CAADLP CC[NH+](CC)CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001180390898 781665301 /nfs/dbraw/zinc/66/53/01/781665301.db2.gz BNQQWJPYABYLHQ-GARJFASQSA-N 2 2 256.354 -2.153 20 0 CAADLP C[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)[NH+]1CCCC1 ZINC001180585272 781670119 /nfs/dbraw/zinc/67/01/19/781670119.db2.gz KIEAKGURNVRFPU-CHWFTXMASA-N 2 2 268.365 -2.010 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001180761604 781676659 /nfs/dbraw/zinc/67/66/59/781676659.db2.gz BVDPVECITFSFGB-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001180761604 781676666 /nfs/dbraw/zinc/67/66/66/781676666.db2.gz BVDPVECITFSFGB-LLVKDONJSA-N 2 2 271.361 -1.110 20 0 CAADLP C[N@@H+]1CCO[C@H](C(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001180764464 781678267 /nfs/dbraw/zinc/67/82/67/781678267.db2.gz YGKATTHRXRNFBV-VIFPVBQESA-N 2 2 251.290 -1.208 20 0 CAADLP C[N@H+]1CCO[C@H](C(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001180764464 781678274 /nfs/dbraw/zinc/67/82/74/781678274.db2.gz YGKATTHRXRNFBV-VIFPVBQESA-N 2 2 251.290 -1.208 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)Cc1cc[nH+]c(N)c1 ZINC001181230440 781690081 /nfs/dbraw/zinc/69/00/81/781690081.db2.gz QAIGPYJHNJTYBU-UHFFFAOYSA-N 2 2 272.330 -1.047 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001151049682 781696540 /nfs/dbraw/zinc/69/65/40/781696540.db2.gz WALBRCPSPBFPOF-VIFPVBQESA-N 2 2 282.348 -1.734 20 0 CAADLP Cn1[nH]c(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001151049682 781696544 /nfs/dbraw/zinc/69/65/44/781696544.db2.gz WALBRCPSPBFPOF-VIFPVBQESA-N 2 2 282.348 -1.734 20 0 CAADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821865 781701598 /nfs/dbraw/zinc/70/15/98/781701598.db2.gz JKVYPUONQRXATB-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821865 781701602 /nfs/dbraw/zinc/70/16/02/781701602.db2.gz JKVYPUONQRXATB-VXGBXAGGSA-N 2 2 298.387 -1.356 20 0 CAADLP C[NH+]1CCC(O)(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001182033761 781705362 /nfs/dbraw/zinc/70/53/62/781705362.db2.gz PNLOPNIZYJDEDQ-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+]1CCC(O)(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001182033761 781705368 /nfs/dbraw/zinc/70/53/68/781705368.db2.gz PNLOPNIZYJDEDQ-NSHDSACASA-N 2 2 271.361 -1.110 20 0 CAADLP C[NH+](C)C1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001182602179 781725732 /nfs/dbraw/zinc/72/57/32/781725732.db2.gz ZHNZIJPXOXDFGU-XHNCKOQMSA-N 2 2 254.338 -2.400 20 0 CAADLP C[NH+](C)C1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001182602177 781726184 /nfs/dbraw/zinc/72/61/84/781726184.db2.gz ZHNZIJPXOXDFGU-HRDYMLBCSA-N 2 2 254.338 -2.400 20 0 CAADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001182871652 781729989 /nfs/dbraw/zinc/72/99/89/781729989.db2.gz SOMKIEWAYQNMKG-NAKRPEOUSA-N 2 2 268.365 -2.012 20 0 CAADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001182871652 781729992 /nfs/dbraw/zinc/72/99/92/781729992.db2.gz SOMKIEWAYQNMKG-NAKRPEOUSA-N 2 2 268.365 -2.012 20 0 CAADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001185261889 781778633 /nfs/dbraw/zinc/77/86/33/781778633.db2.gz IXOPPJPCSLVKDG-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001185261889 781778640 /nfs/dbraw/zinc/77/86/40/781778640.db2.gz IXOPPJPCSLVKDG-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001185261889 781778652 /nfs/dbraw/zinc/77/86/52/781778652.db2.gz IXOPPJPCSLVKDG-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001185261889 781778657 /nfs/dbraw/zinc/77/86/57/781778657.db2.gz IXOPPJPCSLVKDG-NWDGAFQWSA-N 2 2 270.377 -1.321 20 0 CAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCN1C ZINC001185258583 781779028 /nfs/dbraw/zinc/77/90/28/781779028.db2.gz WMAHSFYJLVMBEP-NEPJUHHUSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCN1C ZINC001185258583 781779031 /nfs/dbraw/zinc/77/90/31/781779031.db2.gz WMAHSFYJLVMBEP-NEPJUHHUSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185258583 781779037 /nfs/dbraw/zinc/77/90/37/781779037.db2.gz WMAHSFYJLVMBEP-NEPJUHHUSA-N 2 2 298.387 -1.452 20 0 CAADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185258583 781779039 /nfs/dbraw/zinc/77/90/39/781779039.db2.gz WMAHSFYJLVMBEP-NEPJUHHUSA-N 2 2 298.387 -1.452 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001185269121 781780995 /nfs/dbraw/zinc/78/09/95/781780995.db2.gz JGMQVBJMFMXMMV-XWLWVQCSSA-N 2 2 283.380 -3.249 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001185269121 781781003 /nfs/dbraw/zinc/78/10/03/781781003.db2.gz JGMQVBJMFMXMMV-XWLWVQCSSA-N 2 2 283.380 -3.249 20 0 CAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001185269119 781781781 /nfs/dbraw/zinc/78/17/81/781781781.db2.gz JGMQVBJMFMXMMV-NAKRPEOUSA-N 2 2 283.380 -3.249 20 0 CAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001185269119 781781785 /nfs/dbraw/zinc/78/17/85/781781785.db2.gz JGMQVBJMFMXMMV-NAKRPEOUSA-N 2 2 283.380 -3.249 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186034424 781791113 /nfs/dbraw/zinc/79/11/13/781791113.db2.gz UFSXDDJLLKUWFM-MRVPVSSYSA-N 2 2 265.335 -2.200 20 0 CAADLP CS(=O)(=O)N(CC[NH3+])C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186034424 781791124 /nfs/dbraw/zinc/79/11/24/781791124.db2.gz UFSXDDJLLKUWFM-MRVPVSSYSA-N 2 2 265.335 -2.200 20 0 CAADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186037119 781793053 /nfs/dbraw/zinc/79/30/53/781793053.db2.gz FHRIATKYXVYECX-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186037119 781793057 /nfs/dbraw/zinc/79/30/57/781793057.db2.gz FHRIATKYXVYECX-LBPRGKRZSA-N 2 2 271.361 -1.156 20 0 CAADLP C[N@H+](C1CN(C(=O)C[NH+]2CC[C@@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044387 781793061 /nfs/dbraw/zinc/79/30/61/781793061.db2.gz GJZATBPVXCTWIT-WCQYABFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[N@@H+](C1CN(C(=O)C[NH+]2CC[C@@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044387 781793066 /nfs/dbraw/zinc/79/30/66/781793066.db2.gz GJZATBPVXCTWIT-WCQYABFASA-N 2 2 283.372 -1.016 20 0 CAADLP C[NH+](C1CN(C(=O)C[N@H+]2CC[C@@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044387 781793073 /nfs/dbraw/zinc/79/30/73/781793073.db2.gz GJZATBPVXCTWIT-WCQYABFASA-N 2 2 283.372 -1.016 20 0 CAADLP O=C(C[N@H+]1CC[C@H](O)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001186045533 781796520 /nfs/dbraw/zinc/79/65/20/781796520.db2.gz USJKELHKNHFFKO-NSHDSACASA-N 2 2 277.328 -1.152 20 0 CAADLP O=C(C[N@@H+]1CC[C@H](O)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001186045533 781796525 /nfs/dbraw/zinc/79/65/25/781796525.db2.gz USJKELHKNHFFKO-NSHDSACASA-N 2 2 277.328 -1.152 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2NCN[C@H]21 ZINC001186057724 781797833 /nfs/dbraw/zinc/79/78/33/781797833.db2.gz NPSHBKPEKGGGBU-CPOMMVLXSA-N 2 2 270.337 -3.428 20 0 CAADLP [NH3+][C@@H]1NCN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2NCN[C@H]21 ZINC001186057724 781797840 /nfs/dbraw/zinc/79/78/40/781797840.db2.gz NPSHBKPEKGGGBU-CPOMMVLXSA-N 2 2 270.337 -3.428 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001151738254 781848159 /nfs/dbraw/zinc/84/81/59/781848159.db2.gz HKXGQTHFRSVQFP-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnn(C)n2)C1 ZINC001151738254 781848170 /nfs/dbraw/zinc/84/81/70/781848170.db2.gz HKXGQTHFRSVQFP-GFCCVEGCSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001151749374 781851259 /nfs/dbraw/zinc/85/12/59/781851259.db2.gz WLSARMXQYSMUQG-JTQLQIEISA-N 2 2 297.363 -1.863 20 0 CAADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)C1 ZINC001151749374 781851268 /nfs/dbraw/zinc/85/12/68/781851268.db2.gz WLSARMXQYSMUQG-JTQLQIEISA-N 2 2 297.363 -1.863 20 0 CAADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001151749445 781851367 /nfs/dbraw/zinc/85/13/67/781851367.db2.gz YJUXTDXUQUCZRF-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nncn2C)C1 ZINC001151749445 781851376 /nfs/dbraw/zinc/85/13/76/781851376.db2.gz YJUXTDXUQUCZRF-LLVKDONJSA-N 2 2 296.375 -1.258 20 0 CAADLP