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CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000827882864 583359810 /nfs/dbraw/zinc/35/98/10/583359810.db2.gz SVJHMRCOVGDHQJ-QMMMGPOBSA-N 0 2 339.352 -1.467 20 0 EAADLN CN(C)C(=O)CC[NH+]1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827954329 583359907 /nfs/dbraw/zinc/35/99/07/583359907.db2.gz RORPSVQTLFCGDE-UHFFFAOYSA-N 0 2 348.425 -1.226 20 0 EAADLN CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827960504 583359928 /nfs/dbraw/zinc/35/99/28/583359928.db2.gz KCJABECLCDGEGI-GFCCVEGCSA-N 0 2 342.396 -1.012 20 0 EAADLN CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000827960505 583359959 /nfs/dbraw/zinc/35/99/59/583359959.db2.gz KCJABECLCDGEGI-LBPRGKRZSA-N 0 2 342.396 -1.012 20 0 EAADLN C[N@H+](CC(=O)N1CCOCC1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828096111 583361033 /nfs/dbraw/zinc/36/10/33/583361033.db2.gz WOPVXVOSHXPYRM-UHFFFAOYSA-N 0 2 340.380 -1.053 20 0 EAADLN C[N@@H+](CC(=O)N1CCOCC1)CN1CC2(CN(C(=O)[O-])C2)CC1=O ZINC000828096111 583361030 /nfs/dbraw/zinc/36/10/30/583361030.db2.gz WOPVXVOSHXPYRM-UHFFFAOYSA-N 0 2 340.380 -1.053 20 0 EAADLN CN(CC(=O)N1CCN(C(=O)[O-])CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000828096125 583361243 /nfs/dbraw/zinc/36/12/43/583361243.db2.gz XBMPPMIWBROVQG-CYBMUJFWSA-N 0 2 344.412 -1.567 20 0 EAADLN CN(CC(=O)N1CCN(C(=O)[O-])CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000828096126 583361265 /nfs/dbraw/zinc/36/12/65/583361265.db2.gz XBMPPMIWBROVQG-ZDUSSCGKSA-N 0 2 344.412 -1.567 20 0 EAADLN Cn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000828124977 583361125 /nfs/dbraw/zinc/36/11/25/583361125.db2.gz BAUUQNVLBRVOLY-MRVPVSSYSA-N 0 2 339.352 -1.467 20 0 EAADLN Cn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000828124977 583361123 /nfs/dbraw/zinc/36/11/23/583361123.db2.gz BAUUQNVLBRVOLY-MRVPVSSYSA-N 0 2 339.352 -1.467 20 0 EAADLN Cn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000828124978 583361317 /nfs/dbraw/zinc/36/13/17/583361317.db2.gz BAUUQNVLBRVOLY-QMMMGPOBSA-N 0 2 339.352 -1.467 20 0 EAADLN Cn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000828124978 583361314 /nfs/dbraw/zinc/36/13/14/583361314.db2.gz BAUUQNVLBRVOLY-QMMMGPOBSA-N 0 2 339.352 -1.467 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828160871 583361249 /nfs/dbraw/zinc/36/12/49/583361249.db2.gz AYWDFCGKGOOEQZ-GRYCIOLGSA-N 0 2 331.369 -1.749 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828160872 583361273 /nfs/dbraw/zinc/36/12/73/583361273.db2.gz AYWDFCGKGOOEQZ-SDDRHHMPSA-N 0 2 331.369 -1.749 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000828160873 583361017 /nfs/dbraw/zinc/36/10/17/583361017.db2.gz AYWDFCGKGOOEQZ-SRVKXCTJSA-N 0 2 331.369 -1.749 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000828160874 583361065 /nfs/dbraw/zinc/36/10/65/583361065.db2.gz AYWDFCGKGOOEQZ-WOPDTQHZSA-N 0 2 331.369 -1.749 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828161709 583361324 /nfs/dbraw/zinc/36/13/24/583361324.db2.gz IGCVQSCXXCQKHF-NEPJUHHUSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828161710 583361178 /nfs/dbraw/zinc/36/11/78/583361178.db2.gz IGCVQSCXXCQKHF-NWDGAFQWSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000828161711 583361284 /nfs/dbraw/zinc/36/12/84/583361284.db2.gz IGCVQSCXXCQKHF-RYUDHWBXSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1COCCN1C(=O)[O-] ZINC000828161712 583361299 /nfs/dbraw/zinc/36/12/99/583361299.db2.gz IGCVQSCXXCQKHF-VXGBXAGGSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828162653 583361345 /nfs/dbraw/zinc/36/13/45/583361345.db2.gz PZNVUWWDDFZQAR-NEPJUHHUSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828162654 583361330 /nfs/dbraw/zinc/36/13/30/583361330.db2.gz PZNVUWWDDFZQAR-NWDGAFQWSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828162655 583361639 /nfs/dbraw/zinc/36/16/39/583361639.db2.gz PZNVUWWDDFZQAR-RYUDHWBXSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000828162656 583361567 /nfs/dbraw/zinc/36/15/67/583361567.db2.gz PZNVUWWDDFZQAR-VXGBXAGGSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828162684 583361497 /nfs/dbraw/zinc/36/14/97/583361497.db2.gz QQRAFKRPHVHIOO-LLVKDONJSA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COC1CN(C(=O)[O-])C1 ZINC000828162685 583361525 /nfs/dbraw/zinc/36/15/25/583361525.db2.gz QQRAFKRPHVHIOO-NSHDSACASA-N 0 2 331.369 -1.483 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828163128 583361611 /nfs/dbraw/zinc/36/16/11/583361611.db2.gz XXPPNTSQOCVXSU-CHWSQXEVSA-N 0 2 345.396 -1.093 20 0 EAADLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828163129 583361606 /nfs/dbraw/zinc/36/16/06/583361606.db2.gz XXPPNTSQOCVXSU-OLZOCXBDSA-N 0 2 345.396 -1.093 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000828163130 583361666 /nfs/dbraw/zinc/36/16/66/583361666.db2.gz XXPPNTSQOCVXSU-QWHCGFSZSA-N 0 2 345.396 -1.093 20 0 EAADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000828163131 583361707 /nfs/dbraw/zinc/36/17/07/583361707.db2.gz XXPPNTSQOCVXSU-STQMWFEESA-N 0 2 345.396 -1.093 20 0 EAADLN C[N@@H+](CCN1CCCS1(=O)=O)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828313498 583361731 /nfs/dbraw/zinc/36/17/31/583361731.db2.gz ZMEMKTSMWHXBEW-UHFFFAOYSA-N 0 2 348.425 -1.224 20 0 EAADLN C[N@H+](CCN1CCCS1(=O)=O)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000828313498 583361730 /nfs/dbraw/zinc/36/17/30/583361730.db2.gz ZMEMKTSMWHXBEW-UHFFFAOYSA-N 0 2 348.425 -1.224 20 0 EAADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1cn(CC(N)=O)nn1 ZINC000828315886 583361735 /nfs/dbraw/zinc/36/17/35/583361735.db2.gz HZDMFXVSFSXMBA-UHFFFAOYSA-N 0 2 339.356 -1.869 20 0 EAADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1nccnc1C(N)=O ZINC000828316177 583361477 /nfs/dbraw/zinc/36/14/77/583361477.db2.gz MISFMHMXSJWUDY-UHFFFAOYSA-N 0 2 336.352 -1.057 20 0 EAADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1[nH]c(=O)[nH]c(=O)c1N ZINC000828316877 583361584 /nfs/dbraw/zinc/36/15/84/583361584.db2.gz WCPJUANLMZVBQE-UHFFFAOYSA-N 0 2 340.340 -1.162 20 0 EAADLN C[N@H+]1CCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493855 583362412 /nfs/dbraw/zinc/36/24/12/583362412.db2.gz DOSBKPFJNVYDDG-HTQZYQBOSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@@H+]1CCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493855 583362409 /nfs/dbraw/zinc/36/24/09/583362409.db2.gz DOSBKPFJNVYDDG-HTQZYQBOSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@H+]1CCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493863 583362605 /nfs/dbraw/zinc/36/26/05/583362605.db2.gz DOSBKPFJNVYDDG-JGVFFNPUSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@@H+]1CCN(C(=O)C[C@H]2SC(=N)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493863 583362602 /nfs/dbraw/zinc/36/26/02/583362602.db2.gz DOSBKPFJNVYDDG-JGVFFNPUSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@H+]1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493864 583362555 /nfs/dbraw/zinc/36/25/55/583362555.db2.gz DOSBKPFJNVYDDG-SFYZADRCSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@@H+]1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493864 583362552 /nfs/dbraw/zinc/36/25/52/583362552.db2.gz DOSBKPFJNVYDDG-SFYZADRCSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@H+]1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493866 583362467 /nfs/dbraw/zinc/36/24/67/583362467.db2.gz DOSBKPFJNVYDDG-YUMQZZPRSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@@H+]1CCN(C(=O)C[C@@H]2SC(=N)NC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493866 583362466 /nfs/dbraw/zinc/36/24/66/583362466.db2.gz DOSBKPFJNVYDDG-YUMQZZPRSA-N 0 2 329.382 -1.047 20 0 EAADLN C[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493911 583362336 /nfs/dbraw/zinc/36/23/36/583362336.db2.gz FGAGSPNIVFHCJL-JTQLQIEISA-N 0 2 326.353 -1.064 20 0 EAADLN C[N@@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828493911 583362333 /nfs/dbraw/zinc/36/23/33/583362333.db2.gz FGAGSPNIVFHCJL-JTQLQIEISA-N 0 2 326.353 -1.064 20 0 EAADLN C[N@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493912 583362399 /nfs/dbraw/zinc/36/23/99/583362399.db2.gz FGAGSPNIVFHCJL-SNVBAGLBSA-N 0 2 326.353 -1.064 20 0 EAADLN C[N@@H+]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](CNC(=O)[O-])C1 ZINC000828493912 583362397 /nfs/dbraw/zinc/36/23/97/583362397.db2.gz FGAGSPNIVFHCJL-SNVBAGLBSA-N 0 2 326.353 -1.064 20 0 EAADLN C[N@H+]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494471 583362620 /nfs/dbraw/zinc/36/26/20/583362620.db2.gz JRDOJYSRWNGUEV-JTQLQIEISA-N 0 2 341.368 -1.271 20 0 EAADLN C[N@@H+]1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H](CNC(=O)[O-])C1 ZINC000828494471 583362618 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329.324 -1.096 20 0 EAADLN O=C(Cn1nccn1)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043373492 673589317 /nfs/dbraw/zinc/58/93/17/673589317.db2.gz AEUFVALQCZDSKL-MRVPVSSYSA-N 0 2 339.249 -1.132 20 0 EAADLN O=C(Cn1nccn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043373492 673589316 /nfs/dbraw/zinc/58/93/16/673589316.db2.gz AEUFVALQCZDSKL-MRVPVSSYSA-N 0 2 339.249 -1.132 20 0 EAADLN O=C(Cn1nccn1)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043373493 673589267 /nfs/dbraw/zinc/58/92/67/673589267.db2.gz AEUFVALQCZDSKL-QMMMGPOBSA-N 0 2 339.249 -1.132 20 0 EAADLN O=C(Cn1nccn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043373493 673589266 /nfs/dbraw/zinc/58/92/66/673589266.db2.gz AEUFVALQCZDSKL-QMMMGPOBSA-N 0 2 339.249 -1.132 20 0 EAADLN CC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043373509 673589413 /nfs/dbraw/zinc/58/94/13/673589413.db2.gz AIWSQBPOHIMDGC-MRVPVSSYSA-N 0 2 329.250 -1.288 20 0 EAADLN CC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043373509 673589411 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CNC(=O)CC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043373679 673589651 /nfs/dbraw/zinc/58/96/51/673589651.db2.gz CUWYKSCFSKXGQB-QMMMGPOBSA-N 0 2 329.250 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)[C@@H](F)C(F)(F)F ZINC001043373750 673589901 /nfs/dbraw/zinc/58/99/01/673589901.db2.gz DTEUAJDRSLUDLQ-HTQZYQBOSA-N 0 2 344.261 -1.008 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)C(F)C(F)(F)F ZINC001043373750 673589899 /nfs/dbraw/zinc/58/98/99/673589899.db2.gz DTEUAJDRSLUDLQ-HTQZYQBOSA-N 0 2 344.261 -1.008 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)[C@@H](F)C(F)(F)F ZINC001043373755 673589728 /nfs/dbraw/zinc/58/97/28/673589728.db2.gz DTEUAJDRSLUDLQ-JGVFFNPUSA-N 0 2 344.261 -1.008 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2COCCO2)C1)C(F)C(F)(F)F ZINC001043373755 673589724 /nfs/dbraw/zinc/58/97/24/673589724.db2.gz DTEUAJDRSLUDLQ-JGVFFNPUSA-N 0 2 344.261 -1.008 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2COCCO2)C1)[C@H](F)C(F)(F)F ZINC001043373757 673589802 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O=C(NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)[C@@H](F)C(F)(F)F ZINC001043374531 673589650 /nfs/dbraw/zinc/58/96/50/673589650.db2.gz GOAJORAAEMFVSB-PHDIDXHHSA-N 0 2 343.233 -1.315 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374531 673589649 /nfs/dbraw/zinc/58/96/49/673589649.db2.gz GOAJORAAEMFVSB-PHDIDXHHSA-N 0 2 343.233 -1.315 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)[C@H](F)C(F)(F)F ZINC001043374534 673589823 /nfs/dbraw/zinc/58/98/23/673589823.db2.gz GOAJORAAEMFVSB-RITPCOANSA-N 0 2 343.233 -1.315 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2COC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374534 673589821 /nfs/dbraw/zinc/58/98/21/673589821.db2.gz GOAJORAAEMFVSB-RITPCOANSA-N 0 2 343.233 -1.315 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)[C@H](F)C(F)(F)F ZINC001043374536 673589891 /nfs/dbraw/zinc/58/98/91/673589891.db2.gz GOAJORAAEMFVSB-WDSKDSINSA-N 0 2 343.233 -1.315 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2COC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374536 673589888 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O=C(NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374701 673589733 /nfs/dbraw/zinc/58/97/33/673589733.db2.gz HWEPQSGBDRIJOL-NTSWFWBYSA-N 0 2 342.249 -1.742 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)[C@@H](F)C(F)(F)F ZINC001043374767 673589721 /nfs/dbraw/zinc/58/97/21/673589721.db2.gz HWEPQSGBDRIJOL-PHDIDXHHSA-N 0 2 342.249 -1.742 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374767 673589716 /nfs/dbraw/zinc/58/97/16/673589716.db2.gz HWEPQSGBDRIJOL-PHDIDXHHSA-N 0 2 342.249 -1.742 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)[C@H](F)C(F)(F)F ZINC001043374768 673589807 /nfs/dbraw/zinc/58/98/07/673589807.db2.gz HWEPQSGBDRIJOL-RITPCOANSA-N 0 2 342.249 -1.742 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CNC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374768 673589804 /nfs/dbraw/zinc/58/98/04/673589804.db2.gz HWEPQSGBDRIJOL-RITPCOANSA-N 0 2 342.249 -1.742 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)[C@H](F)C(F)(F)F ZINC001043374769 673589881 /nfs/dbraw/zinc/58/98/81/673589881.db2.gz HWEPQSGBDRIJOL-WDSKDSINSA-N 0 2 342.249 -1.742 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2CNC(=O)N2)C1)C(F)C(F)(F)F ZINC001043374769 673589878 /nfs/dbraw/zinc/58/98/78/673589878.db2.gz HWEPQSGBDRIJOL-WDSKDSINSA-N 0 2 342.249 -1.742 20 0 EAADLN NC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043375273 673589843 /nfs/dbraw/zinc/58/98/43/673589843.db2.gz KMYNOQWBBOLZDQ-LURJTMIESA-N 0 2 330.238 -1.755 20 0 EAADLN NC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375273 673589841 /nfs/dbraw/zinc/58/98/41/673589841.db2.gz KMYNOQWBBOLZDQ-LURJTMIESA-N 0 2 330.238 -1.755 20 0 EAADLN NC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043375277 668980854 /nfs/dbraw/zinc/98/08/54/668980854.db2.gz KMYNOQWBBOLZDQ-ZCFIWIBFSA-N 0 2 330.238 -1.755 20 0 EAADLN NC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375277 668980846 /nfs/dbraw/zinc/98/08/46/668980846.db2.gz KMYNOQWBBOLZDQ-ZCFIWIBFSA-N 0 2 330.238 -1.755 20 0 EAADLN O=C(Cn1ncnn1)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043375547 673589782 /nfs/dbraw/zinc/58/97/82/673589782.db2.gz MGDMKKLBRIMXGM-SSDOTTSWSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1ncnn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375547 673589780 /nfs/dbraw/zinc/58/97/80/673589780.db2.gz MGDMKKLBRIMXGM-SSDOTTSWSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1ncnn1)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043375549 673589629 /nfs/dbraw/zinc/58/96/29/673589629.db2.gz MGDMKKLBRIMXGM-ZETCQYMHSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1ncnn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375549 673589627 /nfs/dbraw/zinc/58/96/27/673589627.db2.gz MGDMKKLBRIMXGM-ZETCQYMHSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1cnnn1)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043375614 668983658 /nfs/dbraw/zinc/98/36/58/668983658.db2.gz MSUKZWBGARFZGC-SSDOTTSWSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1cnnn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375614 668983656 /nfs/dbraw/zinc/98/36/56/668983656.db2.gz MSUKZWBGARFZGC-SSDOTTSWSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1cnnn1)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043375616 668983627 /nfs/dbraw/zinc/98/36/27/668983627.db2.gz MSUKZWBGARFZGC-ZETCQYMHSA-N 0 2 340.237 -1.737 20 0 EAADLN O=C(Cn1cnnn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375616 668983623 /nfs/dbraw/zinc/98/36/23/668983623.db2.gz MSUKZWBGARFZGC-ZETCQYMHSA-N 0 2 340.237 -1.737 20 0 EAADLN COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043376030 673589860 /nfs/dbraw/zinc/58/98/60/673589860.db2.gz OWWKPLVYZYXXQW-SSDOTTSWSA-N 0 2 345.249 -1.068 20 0 EAADLN COC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043376030 673589857 /nfs/dbraw/zinc/58/98/57/673589857.db2.gz OWWKPLVYZYXXQW-SSDOTTSWSA-N 0 2 345.249 -1.068 20 0 EAADLN COC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043376031 673589797 /nfs/dbraw/zinc/58/97/97/673589797.db2.gz OWWKPLVYZYXXQW-ZETCQYMHSA-N 0 2 345.249 -1.068 20 0 EAADLN COC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043376031 673589795 /nfs/dbraw/zinc/58/97/95/673589795.db2.gz OWWKPLVYZYXXQW-ZETCQYMHSA-N 0 2 345.249 -1.068 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)[C@H](F)C(F)(F)F ZINC001043376353 673589592 /nfs/dbraw/zinc/58/95/92/673589592.db2.gz PHFBBYREGOKAIG-BQBZGAKWSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)C(F)C(F)(F)F ZINC001043376353 673589590 /nfs/dbraw/zinc/58/95/90/673589590.db2.gz PHFBBYREGOKAIG-BQBZGAKWSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)[C@@H](F)C(F)(F)F ZINC001043376355 673589669 /nfs/dbraw/zinc/58/96/69/673589669.db2.gz PHFBBYREGOKAIG-NKWVEPMBSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@H]2CCNC2=O)C1)C(F)C(F)(F)F ZINC001043376355 673589665 /nfs/dbraw/zinc/58/96/65/673589665.db2.gz PHFBBYREGOKAIG-NKWVEPMBSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)[C@@H](F)C(F)(F)F ZINC001043376357 673589811 /nfs/dbraw/zinc/58/98/11/673589811.db2.gz PHFBBYREGOKAIG-RNFRBKRXSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)C(F)C(F)(F)F ZINC001043376357 673589809 /nfs/dbraw/zinc/58/98/09/673589809.db2.gz PHFBBYREGOKAIG-RNFRBKRXSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)[C@H](F)C(F)(F)F ZINC001043376360 673589583 /nfs/dbraw/zinc/58/95/83/673589583.db2.gz PHFBBYREGOKAIG-RQJHMYQMSA-N 0 2 341.261 -1.288 20 0 EAADLN O=C(NCC1(O)CN(C(=O)[C@@H]2CCNC2=O)C1)C(F)C(F)(F)F ZINC001043376360 673589581 /nfs/dbraw/zinc/58/95/81/673589581.db2.gz PHFBBYREGOKAIG-RQJHMYQMSA-N 0 2 341.261 -1.288 20 0 EAADLN NC(=O)C1(C(=O)N2CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001043376450 668984909 /nfs/dbraw/zinc/98/49/09/668984909.db2.gz PZXGVZLHYINTKK-LURJTMIESA-N 0 2 341.261 -1.158 20 0 EAADLN NC(=O)C1(C(=O)N2CC(O)(CNC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001043376450 668984905 /nfs/dbraw/zinc/98/49/05/668984905.db2.gz PZXGVZLHYINTKK-LURJTMIESA-N 0 2 341.261 -1.158 20 0 EAADLN NC(=O)C1(C(=O)N2CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001043376452 668984996 /nfs/dbraw/zinc/98/49/96/668984996.db2.gz PZXGVZLHYINTKK-ZCFIWIBFSA-N 0 2 341.261 -1.158 20 0 EAADLN NC(=O)C1(C(=O)N2CC(O)(CNC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001043376452 668984993 /nfs/dbraw/zinc/98/49/93/668984993.db2.gz PZXGVZLHYINTKK-ZCFIWIBFSA-N 0 2 341.261 -1.158 20 0 EAADLN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043376456 673589744 /nfs/dbraw/zinc/58/97/44/673589744.db2.gz QBGUFSKRLHHHFY-DSYKOEDSSA-N 0 2 341.261 -1.302 20 0 EAADLN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043376456 673589740 /nfs/dbraw/zinc/58/97/40/673589740.db2.gz QBGUFSKRLHHHFY-DSYKOEDSSA-N 0 2 341.261 -1.302 20 0 EAADLN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043376460 673589874 /nfs/dbraw/zinc/58/98/74/673589874.db2.gz QBGUFSKRLHHHFY-VQVTYTSYSA-N 0 2 341.261 -1.302 20 0 EAADLN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043376460 673589871 /nfs/dbraw/zinc/58/98/71/673589871.db2.gz QBGUFSKRLHHHFY-VQVTYTSYSA-N 0 2 341.261 -1.302 20 0 EAADLN NC(=O)NCCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043376540 673589775 /nfs/dbraw/zinc/58/97/75/673589775.db2.gz QYYDUXOSEYRFMQ-SSDOTTSWSA-N 0 2 344.265 -1.365 20 0 EAADLN NC(=O)NCCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043376540 673589773 /nfs/dbraw/zinc/58/97/73/673589773.db2.gz QYYDUXOSEYRFMQ-SSDOTTSWSA-N 0 2 344.265 -1.365 20 0 EAADLN NC(=O)NCCC(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043376551 673589768 /nfs/dbraw/zinc/58/97/68/673589768.db2.gz QYYDUXOSEYRFMQ-ZETCQYMHSA-N 0 2 344.265 -1.365 20 0 EAADLN NC(=O)NCCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043376551 673589764 /nfs/dbraw/zinc/58/97/64/673589764.db2.gz QYYDUXOSEYRFMQ-ZETCQYMHSA-N 0 2 344.265 -1.365 20 0 EAADLN O=C(Cn1cncn1)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043377029 668986304 /nfs/dbraw/zinc/98/63/04/668986304.db2.gz RFIWRWOMVOCVQD-MRVPVSSYSA-N 0 2 339.249 -1.132 20 0 EAADLN O=C(Cn1cncn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377029 668986293 /nfs/dbraw/zinc/98/62/93/668986293.db2.gz RFIWRWOMVOCVQD-MRVPVSSYSA-N 0 2 339.249 -1.132 20 0 EAADLN O=C(Cn1cncn1)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043377030 668986530 /nfs/dbraw/zinc/98/65/30/668986530.db2.gz RFIWRWOMVOCVQD-QMMMGPOBSA-N 0 2 339.249 -1.132 20 0 EAADLN O=C(Cn1cncn1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377030 668986528 /nfs/dbraw/zinc/98/65/28/668986528.db2.gz RFIWRWOMVOCVQD-QMMMGPOBSA-N 0 2 339.249 -1.132 20 0 EAADLN CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043377238 673589613 /nfs/dbraw/zinc/58/96/13/673589613.db2.gz SPGDBVZZQGMVCE-SSDOTTSWSA-N 0 2 344.265 -1.495 20 0 EAADLN CNC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377238 673589609 /nfs/dbraw/zinc/58/96/09/673589609.db2.gz SPGDBVZZQGMVCE-SSDOTTSWSA-N 0 2 344.265 -1.495 20 0 EAADLN CNC(=O)NCC(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043377242 673590069 /nfs/dbraw/zinc/59/00/69/673590069.db2.gz SPGDBVZZQGMVCE-ZETCQYMHSA-N 0 2 344.265 -1.495 20 0 EAADLN CNC(=O)NCC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377242 673590067 /nfs/dbraw/zinc/59/00/67/673590067.db2.gz SPGDBVZZQGMVCE-ZETCQYMHSA-N 0 2 344.265 -1.495 20 0 EAADLN C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043377667 673590123 /nfs/dbraw/zinc/59/01/23/673590123.db2.gz ULUCQHZWVTYUMH-NTSWFWBYSA-N 0 2 344.265 -1.367 20 0 EAADLN C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377667 673590121 /nfs/dbraw/zinc/59/01/21/673590121.db2.gz ULUCQHZWVTYUMH-NTSWFWBYSA-N 0 2 344.265 -1.367 20 0 EAADLN C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043377669 673590064 /nfs/dbraw/zinc/59/00/64/673590064.db2.gz ULUCQHZWVTYUMH-WDSKDSINSA-N 0 2 344.265 -1.367 20 0 EAADLN C[C@H](NC(N)=O)C(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377669 673590062 /nfs/dbraw/zinc/59/00/62/673590062.db2.gz ULUCQHZWVTYUMH-WDSKDSINSA-N 0 2 344.265 -1.367 20 0 EAADLN O=C(Cc1nnc[nH]1)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043377747 673590101 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348.367 -1.361 20 0 EAADLN Cc1nnc(CC(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[nH]4)C3)C2)[nH]1 ZINC001053795930 674151795 /nfs/dbraw/zinc/15/17/95/674151795.db2.gz ADWRBDMMPJDIGK-VIFPVBQESA-N 0 2 348.367 -1.361 20 0 EAADLN Cn1ccc(CC(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[nH]4)C3)C2)n1 ZINC001053799237 674152077 /nfs/dbraw/zinc/15/20/77/674152077.db2.gz PQNLPAMDXPWPLG-LLVKDONJSA-N 0 2 347.379 -1.054 20 0 EAADLN Cn1ccc(CC(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[nH]4)C3)C2)n1 ZINC001053799238 674152121 /nfs/dbraw/zinc/15/21/21/674152121.db2.gz PQNLPAMDXPWPLG-NSHDSACASA-N 0 2 347.379 -1.054 20 0 EAADLN O=C(Cn1ncnn1)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001053803386 674153121 /nfs/dbraw/zinc/15/31/21/674153121.db2.gz QZUFGJZYSVGPEQ-MRVPVSSYSA-N 0 2 335.328 -2.344 20 0 EAADLN O=C(Cn1ncnn1)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001053803387 674153128 /nfs/dbraw/zinc/15/31/28/674153128.db2.gz QZUFGJZYSVGPEQ-QMMMGPOBSA-N 0 2 335.328 -2.344 20 0 EAADLN O=C(Cn1nccn1)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001053815373 674153685 /nfs/dbraw/zinc/15/36/85/674153685.db2.gz MBUYGFADTQYYPL-SECBINFHSA-N 0 2 334.340 -1.739 20 0 EAADLN O=C(Cn1nccn1)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001053815374 674153681 /nfs/dbraw/zinc/15/36/81/674153681.db2.gz MBUYGFADTQYYPL-VIFPVBQESA-N 0 2 334.340 -1.739 20 0 EAADLN O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)c1cnc[nH]c1=O ZINC001053839178 674155548 /nfs/dbraw/zinc/15/55/48/674155548.db2.gz XXNXXTHJZXVPHF-MRVPVSSYSA-N 0 2 347.335 -1.221 20 0 EAADLN O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)c1cnc[nH]c1=O ZINC001053839179 674155635 /nfs/dbraw/zinc/15/56/35/674155635.db2.gz XXNXXTHJZXVPHF-QMMMGPOBSA-N 0 2 347.335 -1.221 20 0 EAADLN O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)c1cn[nH]c(=O)c1 ZINC001053841630 674155534 /nfs/dbraw/zinc/15/55/34/674155534.db2.gz NNYWKFOLDPEBRG-SECBINFHSA-N 0 2 347.335 -1.221 20 0 EAADLN O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)c1cn[nH]c(=O)c1 ZINC001053841631 674155614 /nfs/dbraw/zinc/15/56/14/674155614.db2.gz NNYWKFOLDPEBRG-VIFPVBQESA-N 0 2 347.335 -1.221 20 0 EAADLN C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858441 674157238 /nfs/dbraw/zinc/15/72/38/674157238.db2.gz GWUKIZGKAMCODQ-HTQZYQBOSA-N 0 2 325.325 -1.763 20 0 EAADLN C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858442 674157140 /nfs/dbraw/zinc/15/71/40/674157140.db2.gz GWUKIZGKAMCODQ-JGVFFNPUSA-N 0 2 325.325 -1.763 20 0 EAADLN C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858443 674157146 /nfs/dbraw/zinc/15/71/46/674157146.db2.gz GWUKIZGKAMCODQ-SFYZADRCSA-N 0 2 325.325 -1.763 20 0 EAADLN C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858444 674157077 /nfs/dbraw/zinc/15/70/77/674157077.db2.gz GWUKIZGKAMCODQ-YUMQZZPRSA-N 0 2 325.325 -1.763 20 0 EAADLN CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858685 674157250 /nfs/dbraw/zinc/15/72/50/674157250.db2.gz OPDQYOCGRVLECT-BDAKNGLRSA-N 0 2 339.352 -1.109 20 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COC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858865 674157263 /nfs/dbraw/zinc/15/72/63/674157263.db2.gz TXIBSJNLKLAJJO-BDAKNGLRSA-N 0 2 339.352 -1.109 20 0 EAADLN COC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858866 674157167 /nfs/dbraw/zinc/15/71/67/674157167.db2.gz TXIBSJNLKLAJJO-DTWKUNHWSA-N 0 2 339.352 -1.109 20 0 EAADLN COC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858867 674157104 /nfs/dbraw/zinc/15/71/04/674157104.db2.gz TXIBSJNLKLAJJO-IUCAKERBSA-N 0 2 339.352 -1.109 20 0 EAADLN COC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053858868 674157151 /nfs/dbraw/zinc/15/71/51/674157151.db2.gz TXIBSJNLKLAJJO-RKDXNWHRSA-N 0 2 339.352 -1.109 20 0 EAADLN COCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053859053 674157229 /nfs/dbraw/zinc/15/72/29/674157229.db2.gz YTYHYFOYFBUWMI-MRVPVSSYSA-N 0 2 325.325 -1.498 20 0 EAADLN COCC[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c(=O)[n-]c1=O)CO2 ZINC001053859054 674157093 /nfs/dbraw/zinc/15/70/93/674157093.db2.gz YTYHYFOYFBUWMI-QMMMGPOBSA-N 0 2 325.325 -1.498 20 0 EAADLN Cc1nn[nH]c1C(=O)N[C@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001053889178 674159331 /nfs/dbraw/zinc/15/93/31/674159331.db2.gz CQGLZWRMZZVEQQ-MRVPVSSYSA-N 0 2 334.340 -1.290 20 0 EAADLN Cc1nn[nH]c1C(=O)N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001053889179 674159337 /nfs/dbraw/zinc/15/93/37/674159337.db2.gz CQGLZWRMZZVEQQ-QMMMGPOBSA-N 0 2 334.340 -1.290 20 0 EAADLN O=C(N[C@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)[C@H]1CCNC1=O ZINC001053890681 674159866 /nfs/dbraw/zinc/15/98/66/674159866.db2.gz DQWLUOYCUFUGFF-BDAKNGLRSA-N 0 2 336.352 -1.894 20 0 EAADLN O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)[C@@H]1CCNC1=O ZINC001053890682 674159808 /nfs/dbraw/zinc/15/98/08/674159808.db2.gz DQWLUOYCUFUGFF-DTWKUNHWSA-N 0 2 336.352 -1.894 20 0 EAADLN O=C(N[C@@H]1COC2(CN(Cc3n[nH]c(=O)[nH]3)C2)C1)[C@H]1CCNC1=O 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337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC001090199176 786232207 /nfs/dbraw/zinc/23/22/07/786232207.db2.gz FJAJAJUAFCDJNS-GHMZBOCLSA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC001090199177 786232006 /nfs/dbraw/zinc/23/20/06/786232006.db2.gz FJAJAJUAFCDJNS-MNOVXSKESA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC001090199177 786232003 /nfs/dbraw/zinc/23/20/03/786232003.db2.gz FJAJAJUAFCDJNS-MNOVXSKESA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC001090199178 786232044 /nfs/dbraw/zinc/23/20/44/786232044.db2.gz FJAJAJUAFCDJNS-QWRGUYRKSA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@@H]2O)c1[O-] ZINC001090199178 786232039 /nfs/dbraw/zinc/23/20/39/786232039.db2.gz FJAJAJUAFCDJNS-QWRGUYRKSA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC001090199179 786232057 /nfs/dbraw/zinc/23/20/57/786232057.db2.gz FJAJAJUAFCDJNS-WDEREUQCSA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C[C@H]2O)c1[O-] ZINC001090199179 786232053 /nfs/dbraw/zinc/23/20/53/786232053.db2.gz FJAJAJUAFCDJNS-WDEREUQCSA-N 0 2 337.380 -1.133 20 0 EAADLN Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)ncn1 ZINC001090199216 786232255 /nfs/dbraw/zinc/23/22/55/786232255.db2.gz GAQHETTYCVIFLE-GXSJLCMTSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)ncn1 ZINC001090199217 786232076 /nfs/dbraw/zinc/23/20/76/786232076.db2.gz GAQHETTYCVIFLE-KOLCDFICSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)ncn1 ZINC001090199218 786231507 /nfs/dbraw/zinc/23/15/07/786231507.db2.gz GAQHETTYCVIFLE-MWLCHTKSSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)ncn1 ZINC001090199219 786231936 /nfs/dbraw/zinc/23/19/36/786231936.db2.gz GAQHETTYCVIFLE-ONGXEEELSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC001090200007 786232411 /nfs/dbraw/zinc/23/24/11/786232411.db2.gz LJBPFMSHRBPFMR-GHMZBOCLSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC001090200007 786232406 /nfs/dbraw/zinc/23/24/06/786232406.db2.gz LJBPFMSHRBPFMR-GHMZBOCLSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001090200008 786231699 /nfs/dbraw/zinc/23/16/99/786231699.db2.gz LJBPFMSHRBPFMR-MNOVXSKESA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001090200008 786231696 /nfs/dbraw/zinc/23/16/96/786231696.db2.gz LJBPFMSHRBPFMR-MNOVXSKESA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001090200009 786231494 /nfs/dbraw/zinc/23/14/94/786231494.db2.gz LJBPFMSHRBPFMR-QWRGUYRKSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@@H]2O)c1[O-] ZINC001090200009 786231490 /nfs/dbraw/zinc/23/14/90/786231490.db2.gz LJBPFMSHRBPFMR-QWRGUYRKSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC001090200010 786231437 /nfs/dbraw/zinc/23/14/37/786231437.db2.gz LJBPFMSHRBPFMR-WDEREUQCSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C[C@H]2O)c1[O-] ZINC001090200010 786231433 /nfs/dbraw/zinc/23/14/33/786231433.db2.gz LJBPFMSHRBPFMR-WDEREUQCSA-N 0 2 335.368 -1.083 20 0 EAADLN O=C(CN1CCOCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090203161 786234280 /nfs/dbraw/zinc/23/42/80/786234280.db2.gz FMIHKQXJZGWVTC-GHMZBOCLSA-N 0 2 340.384 -2.106 20 0 EAADLN O=C(CN1CCOCC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090203163 786234651 /nfs/dbraw/zinc/23/46/51/786234651.db2.gz FMIHKQXJZGWVTC-MNOVXSKESA-N 0 2 340.384 -2.106 20 0 EAADLN O=C(CN1CCOCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090203165 786234661 /nfs/dbraw/zinc/23/46/61/786234661.db2.gz FMIHKQXJZGWVTC-QWRGUYRKSA-N 0 2 340.384 -2.106 20 0 EAADLN O=C(CN1CCOCC1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090203166 786234759 /nfs/dbraw/zinc/23/47/59/786234759.db2.gz FMIHKQXJZGWVTC-WDEREUQCSA-N 0 2 340.384 -2.106 20 0 EAADLN COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)on1 ZINC001090205677 786235796 /nfs/dbraw/zinc/23/57/96/786235796.db2.gz HVLHVQSMNCOSOI-HTQZYQBOSA-N 0 2 338.324 -1.128 20 0 EAADLN COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)on1 ZINC001090205678 786236220 /nfs/dbraw/zinc/23/62/20/786236220.db2.gz HVLHVQSMNCOSOI-JGVFFNPUSA-N 0 2 338.324 -1.128 20 0 EAADLN COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)on1 ZINC001090205679 786235481 /nfs/dbraw/zinc/23/54/81/786235481.db2.gz HVLHVQSMNCOSOI-SFYZADRCSA-N 0 2 338.324 -1.128 20 0 EAADLN COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)on1 ZINC001090205680 786236145 /nfs/dbraw/zinc/23/61/45/786236145.db2.gz HVLHVQSMNCOSOI-YUMQZZPRSA-N 0 2 338.324 -1.128 20 0 EAADLN Cn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)c1N ZINC001090218442 786239860 /nfs/dbraw/zinc/23/98/60/786239860.db2.gz VBAFGIBCUCZAEZ-BDAKNGLRSA-N 0 2 336.356 -1.809 20 0 EAADLN Cn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)c1N ZINC001090218443 786240262 /nfs/dbraw/zinc/24/02/62/786240262.db2.gz VBAFGIBCUCZAEZ-DTWKUNHWSA-N 0 2 336.356 -1.809 20 0 EAADLN Cn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)c1N ZINC001090218444 786240275 /nfs/dbraw/zinc/24/02/75/786240275.db2.gz VBAFGIBCUCZAEZ-IUCAKERBSA-N 0 2 336.356 -1.809 20 0 EAADLN Cn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)c1N ZINC001090218445 786239653 /nfs/dbraw/zinc/23/96/53/786239653.db2.gz VBAFGIBCUCZAEZ-RKDXNWHRSA-N 0 2 336.356 -1.809 20 0 EAADLN CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)C1 ZINC001090219303 786239607 /nfs/dbraw/zinc/23/96/07/786239607.db2.gz NVFYPNCBQSKBHS-GHMZBOCLSA-N 0 2 338.368 -1.960 20 0 EAADLN CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)C1 ZINC001090219304 786240167 /nfs/dbraw/zinc/24/01/67/786240167.db2.gz NVFYPNCBQSKBHS-MNOVXSKESA-N 0 2 338.368 -1.960 20 0 EAADLN CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)C1 ZINC001090219305 786240010 /nfs/dbraw/zinc/24/00/10/786240010.db2.gz NVFYPNCBQSKBHS-QWRGUYRKSA-N 0 2 338.368 -1.960 20 0 EAADLN CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)C1 ZINC001090219306 786240218 /nfs/dbraw/zinc/24/02/18/786240218.db2.gz NVFYPNCBQSKBHS-WDEREUQCSA-N 0 2 338.368 -1.960 20 0 EAADLN Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)cnn1 ZINC001090221263 786241278 /nfs/dbraw/zinc/24/12/78/786241278.db2.gz JTTZIURSZVPESA-GHMZBOCLSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)cnn1 ZINC001090221264 786241523 /nfs/dbraw/zinc/24/15/23/786241523.db2.gz JTTZIURSZVPESA-MNOVXSKESA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)cnn1 ZINC001090221265 786241267 /nfs/dbraw/zinc/24/12/67/786241267.db2.gz JTTZIURSZVPESA-QWRGUYRKSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)cnn1 ZINC001090221266 786241466 /nfs/dbraw/zinc/24/14/66/786241466.db2.gz JTTZIURSZVPESA-WDEREUQCSA-N 0 2 333.352 -1.026 20 0 EAADLN Cn1nccc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090224565 786242469 /nfs/dbraw/zinc/24/24/69/786242469.db2.gz BMEUWOVVRHOLHL-GHMZBOCLSA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1nccc1CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090224566 786241800 /nfs/dbraw/zinc/24/18/00/786241800.db2.gz BMEUWOVVRHOLHL-MNOVXSKESA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1nccc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090224567 786242458 /nfs/dbraw/zinc/24/24/58/786242458.db2.gz BMEUWOVVRHOLHL-QWRGUYRKSA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1nccc1CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090224568 786241816 /nfs/dbraw/zinc/24/18/16/786241816.db2.gz BMEUWOVVRHOLHL-WDEREUQCSA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1oc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)cc1=O ZINC001090225562 786242251 /nfs/dbraw/zinc/24/22/51/786242251.db2.gz PCLIKVWSHKLDKU-HTQZYQBOSA-N 0 2 338.324 -1.833 20 0 EAADLN Cn1oc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)cc1=O ZINC001090225566 786242286 /nfs/dbraw/zinc/24/22/86/786242286.db2.gz PCLIKVWSHKLDKU-JGVFFNPUSA-N 0 2 338.324 -1.833 20 0 EAADLN Cn1oc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)cc1=O ZINC001090225567 786242135 /nfs/dbraw/zinc/24/21/35/786242135.db2.gz PCLIKVWSHKLDKU-SFYZADRCSA-N 0 2 338.324 -1.833 20 0 EAADLN Cn1oc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)cc1=O ZINC001090225569 786242661 /nfs/dbraw/zinc/24/26/61/786242661.db2.gz PCLIKVWSHKLDKU-YUMQZZPRSA-N 0 2 338.324 -1.833 20 0 EAADLN O=C(CC1OCCCO1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090226452 786241934 /nfs/dbraw/zinc/24/19/34/786241934.db2.gz VUGSCTPFNQPRGK-NXEZZACHSA-N 0 2 341.368 -1.285 20 0 EAADLN O=C(CC1OCCCO1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090226453 786241849 /nfs/dbraw/zinc/24/18/49/786241849.db2.gz VUGSCTPFNQPRGK-UWVGGRQHSA-N 0 2 341.368 -1.285 20 0 EAADLN O=C(CC1OCCCO1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090226454 786242667 /nfs/dbraw/zinc/24/26/67/786242667.db2.gz VUGSCTPFNQPRGK-VHSXEESVSA-N 0 2 341.368 -1.285 20 0 EAADLN O=C(CC1OCCCO1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090226455 786241787 /nfs/dbraw/zinc/24/17/87/786241787.db2.gz VUGSCTPFNQPRGK-ZJUUUORDSA-N 0 2 341.368 -1.285 20 0 EAADLN O=C(Cc1cncnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090230799 786243661 /nfs/dbraw/zinc/24/36/61/786243661.db2.gz LSFPFDCFGZKLTD-GHMZBOCLSA-N 0 2 333.352 -1.406 20 0 EAADLN O=C(Cc1cncnc1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090230802 786243859 /nfs/dbraw/zinc/24/38/59/786243859.db2.gz LSFPFDCFGZKLTD-MNOVXSKESA-N 0 2 333.352 -1.406 20 0 EAADLN O=C(Cc1cncnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090230805 786243230 /nfs/dbraw/zinc/24/32/30/786243230.db2.gz LSFPFDCFGZKLTD-QWRGUYRKSA-N 0 2 333.352 -1.406 20 0 EAADLN O=C(Cc1cncnc1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090230808 786243609 /nfs/dbraw/zinc/24/36/09/786243609.db2.gz LSFPFDCFGZKLTD-WDEREUQCSA-N 0 2 333.352 -1.406 20 0 EAADLN Cc1ccnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)n1 ZINC001090232058 786245118 /nfs/dbraw/zinc/24/51/18/786245118.db2.gz RNCOQKQTRWTUKQ-NXEZZACHSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1ccnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)n1 ZINC001090232059 786244503 /nfs/dbraw/zinc/24/45/03/786244503.db2.gz RNCOQKQTRWTUKQ-UWVGGRQHSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1ccnc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)n1 ZINC001090232060 786245132 /nfs/dbraw/zinc/24/51/32/786245132.db2.gz RNCOQKQTRWTUKQ-VHSXEESVSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1ccnc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)n1 ZINC001090232061 786244738 /nfs/dbraw/zinc/24/47/38/786244738.db2.gz RNCOQKQTRWTUKQ-ZJUUUORDSA-N 0 2 333.352 -1.026 20 0 EAADLN Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)o1 ZINC001090240775 786247948 /nfs/dbraw/zinc/24/79/48/786247948.db2.gz OIZOSIJNVLDFGA-BDAKNGLRSA-N 0 2 337.340 -1.504 20 0 EAADLN Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)o1 ZINC001090240776 786248287 /nfs/dbraw/zinc/24/82/87/786248287.db2.gz OIZOSIJNVLDFGA-DTWKUNHWSA-N 0 2 337.340 -1.504 20 0 EAADLN Cc1nnc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)o1 ZINC001090240777 786248485 /nfs/dbraw/zinc/24/84/85/786248485.db2.gz OIZOSIJNVLDFGA-IUCAKERBSA-N 0 2 337.340 -1.504 20 0 EAADLN Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)o1 ZINC001090240778 786248235 /nfs/dbraw/zinc/24/82/35/786248235.db2.gz OIZOSIJNVLDFGA-RKDXNWHRSA-N 0 2 337.340 -1.504 20 0 EAADLN CCn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)n1 ZINC001090249123 786250564 /nfs/dbraw/zinc/25/05/64/786250564.db2.gz LOZOFFFETIOHSR-PSASIEDQSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1ncc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)n1 ZINC001090249124 786250835 /nfs/dbraw/zinc/25/08/35/786250835.db2.gz LOZOFFFETIOHSR-SCZZXKLOSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)n1 ZINC001090249125 786251401 /nfs/dbraw/zinc/25/14/01/786251401.db2.gz LOZOFFFETIOHSR-WCBMZHEXSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1ncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)n1 ZINC001090249126 786251321 /nfs/dbraw/zinc/25/13/21/786251321.db2.gz LOZOFFFETIOHSR-WPRPVWTQSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1nncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090249171 786252223 /nfs/dbraw/zinc/25/22/23/786252223.db2.gz MOTXIQOUWVWCOP-PSASIEDQSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1nncc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090249172 786251595 /nfs/dbraw/zinc/25/15/95/786251595.db2.gz MOTXIQOUWVWCOP-SCZZXKLOSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1nncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090249173 786251651 /nfs/dbraw/zinc/25/16/51/786251651.db2.gz MOTXIQOUWVWCOP-WCBMZHEXSA-N 0 2 336.356 -1.513 20 0 EAADLN CCn1nncc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090249174 786251268 /nfs/dbraw/zinc/25/12/68/786251268.db2.gz MOTXIQOUWVWCOP-WPRPVWTQSA-N 0 2 336.356 -1.513 20 0 EAADLN Cc1cn(C)nc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090258098 786253989 /nfs/dbraw/zinc/25/39/89/786253989.db2.gz CVRRKLXALXTJQQ-NXEZZACHSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1cn(C)nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090258099 786254254 /nfs/dbraw/zinc/25/42/54/786254254.db2.gz CVRRKLXALXTJQQ-UWVGGRQHSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1cn(C)nc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001090258102 786253907 /nfs/dbraw/zinc/25/39/07/786253907.db2.gz CVRRKLXALXTJQQ-VHSXEESVSA-N 0 2 335.368 -1.083 20 0 EAADLN Cc1cn(C)nc1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001090258105 786254069 /nfs/dbraw/zinc/25/40/69/786254069.db2.gz CVRRKLXALXTJQQ-ZJUUUORDSA-N 0 2 335.368 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ZINC001090263143 786267510 /nfs/dbraw/zinc/26/75/10/786267510.db2.gz VJPAMGOGSYVFMN-MNOVXSKESA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1ccc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)n1 ZINC001090263150 786267614 /nfs/dbraw/zinc/26/76/14/786267614.db2.gz VJPAMGOGSYVFMN-QWRGUYRKSA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1ccc(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)n1 ZINC001090263152 786267646 /nfs/dbraw/zinc/26/76/46/786267646.db2.gz VJPAMGOGSYVFMN-WDEREUQCSA-N 0 2 335.368 -1.462 20 0 EAADLN COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)ncn1 ZINC001090270935 786274008 /nfs/dbraw/zinc/27/40/08/786274008.db2.gz CYXZOUINHUQWGH-PSASIEDQSA-N 0 2 349.351 -1.326 20 0 EAADLN COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)ncn1 ZINC001090270936 786274018 /nfs/dbraw/zinc/27/40/18/786274018.db2.gz CYXZOUINHUQWGH-SCZZXKLOSA-N 0 2 349.351 -1.326 20 0 EAADLN COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)ncn1 ZINC001090270939 786273677 /nfs/dbraw/zinc/27/36/77/786273677.db2.gz CYXZOUINHUQWGH-WCBMZHEXSA-N 0 2 349.351 -1.326 20 0 EAADLN COc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)ncn1 ZINC001090270941 786273690 /nfs/dbraw/zinc/27/36/90/786273690.db2.gz CYXZOUINHUQWGH-WPRPVWTQSA-N 0 2 349.351 -1.326 20 0 EAADLN O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090292701 786288508 /nfs/dbraw/zinc/28/85/08/786288508.db2.gz PILTYUIYNYYOSG-BDAKNGLRSA-N 0 2 345.381 -2.394 20 0 EAADLN O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090292702 786288537 /nfs/dbraw/zinc/28/85/37/786288537.db2.gz PILTYUIYNYYOSG-DTWKUNHWSA-N 0 2 345.381 -2.394 20 0 EAADLN O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O)C1CS(=O)(=O)C1 ZINC001090292703 786288367 /nfs/dbraw/zinc/28/83/67/786288367.db2.gz PILTYUIYNYYOSG-IUCAKERBSA-N 0 2 345.381 -2.394 20 0 EAADLN O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)C1CS(=O)(=O)C1 ZINC001090292704 786288125 /nfs/dbraw/zinc/28/81/25/786288125.db2.gz PILTYUIYNYYOSG-RKDXNWHRSA-N 0 2 345.381 -2.394 20 0 EAADLN 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EAADLN COC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099704777 792122213 /nfs/dbraw/zinc/12/22/13/792122213.db2.gz QLSVHAZCRBXWJR-YUMQZZPRSA-N 0 2 328.329 -2.082 20 0 EAADLN O=C(CNC(=O)C1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099704878 792122227 /nfs/dbraw/zinc/12/22/27/792122227.db2.gz RUQVWEAKPWYDTF-NXEZZACHSA-N 0 2 338.368 -1.912 20 0 EAADLN O=C(CNC(=O)C1CC1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099704879 792122500 /nfs/dbraw/zinc/12/25/00/792122500.db2.gz RUQVWEAKPWYDTF-UWVGGRQHSA-N 0 2 338.368 -1.912 20 0 EAADLN O=C(CNC(=O)C1CC1)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099704880 792123480 /nfs/dbraw/zinc/12/34/80/792123480.db2.gz RUQVWEAKPWYDTF-VHSXEESVSA-N 0 2 338.368 -1.912 20 0 EAADLN O=C(CNC(=O)C1CC1)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099704881 792122048 /nfs/dbraw/zinc/12/20/48/792122048.db2.gz RUQVWEAKPWYDTF-ZJUUUORDSA-N 0 2 338.368 -1.912 20 0 EAADLN CCCC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099712975 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ZINC001099735517 792131764 /nfs/dbraw/zinc/13/17/64/792131764.db2.gz HHCWKRGIDJNXQG-ZJUUUORDSA-N 0 2 340.384 -1.522 20 0 EAADLN CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099737762 792133701 /nfs/dbraw/zinc/13/37/01/792133701.db2.gz DIQKRRBJNDBVRM-BDAKNGLRSA-N 0 2 326.357 -1.912 20 0 EAADLN CCC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099737763 792134548 /nfs/dbraw/zinc/13/45/48/792134548.db2.gz DIQKRRBJNDBVRM-DTWKUNHWSA-N 0 2 326.357 -1.912 20 0 EAADLN CCC(=O)NCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099737764 792133953 /nfs/dbraw/zinc/13/39/53/792133953.db2.gz DIQKRRBJNDBVRM-IUCAKERBSA-N 0 2 326.357 -1.912 20 0 EAADLN CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099737765 792134242 /nfs/dbraw/zinc/13/42/42/792134242.db2.gz DIQKRRBJNDBVRM-RKDXNWHRSA-N 0 2 326.357 -1.912 20 0 EAADLN COCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099746126 792140084 /nfs/dbraw/zinc/14/00/84/792140084.db2.gz CWIFYLNDLSCPQU-NXEZZACHSA-N 0 2 329.357 -1.775 20 0 EAADLN COCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099746127 792140294 /nfs/dbraw/zinc/14/02/94/792140294.db2.gz CWIFYLNDLSCPQU-UWVGGRQHSA-N 0 2 329.357 -1.775 20 0 EAADLN COCCOCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099746128 792140345 /nfs/dbraw/zinc/14/03/45/792140345.db2.gz CWIFYLNDLSCPQU-VHSXEESVSA-N 0 2 329.357 -1.775 20 0 EAADLN COCCOCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099746129 792140262 /nfs/dbraw/zinc/14/02/62/792140262.db2.gz CWIFYLNDLSCPQU-ZJUUUORDSA-N 0 2 329.357 -1.775 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001099770998 792154521 /nfs/dbraw/zinc/15/45/21/792154521.db2.gz AARDXXQPDAGXEO-HTQZYQBOSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001099770998 792154512 /nfs/dbraw/zinc/15/45/12/792154512.db2.gz AARDXXQPDAGXEO-HTQZYQBOSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001099770999 792152856 /nfs/dbraw/zinc/15/28/56/792152856.db2.gz AARDXXQPDAGXEO-JGVFFNPUSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@H]2O)c1[O-] ZINC001099770999 792152849 /nfs/dbraw/zinc/15/28/49/792152849.db2.gz AARDXXQPDAGXEO-JGVFFNPUSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1[O-] ZINC001099771000 792153232 /nfs/dbraw/zinc/15/32/32/792153232.db2.gz AARDXXQPDAGXEO-SFYZADRCSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1[O-] ZINC001099771000 792153224 /nfs/dbraw/zinc/15/32/24/792153224.db2.gz AARDXXQPDAGXEO-SFYZADRCSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1[O-] ZINC001099771001 792154141 /nfs/dbraw/zinc/15/41/41/792154141.db2.gz AARDXXQPDAGXEO-YUMQZZPRSA-N 0 2 340.340 -2.216 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(N)=O)C[C@@H]2O)c1[O-] ZINC001099771001 792154133 /nfs/dbraw/zinc/15/41/33/792154133.db2.gz AARDXXQPDAGXEO-YUMQZZPRSA-N 0 2 340.340 -2.216 20 0 EAADLN CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773206 792153575 /nfs/dbraw/zinc/15/35/75/792153575.db2.gz QWXNYISSZIOMLB-NXEZZACHSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773206 792153570 /nfs/dbraw/zinc/15/35/70/792153570.db2.gz QWXNYISSZIOMLB-NXEZZACHSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773212 792153412 /nfs/dbraw/zinc/15/34/12/792153412.db2.gz QWXNYISSZIOMLB-UWVGGRQHSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773212 792153408 /nfs/dbraw/zinc/15/34/08/792153408.db2.gz QWXNYISSZIOMLB-UWVGGRQHSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773214 792152818 /nfs/dbraw/zinc/15/28/18/792152818.db2.gz QWXNYISSZIOMLB-VHSXEESVSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773214 792152808 /nfs/dbraw/zinc/15/28/08/792152808.db2.gz QWXNYISSZIOMLB-VHSXEESVSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773216 792153878 /nfs/dbraw/zinc/15/38/78/792153878.db2.gz QWXNYISSZIOMLB-ZJUUUORDSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773216 792153872 /nfs/dbraw/zinc/15/38/72/792153872.db2.gz QWXNYISSZIOMLB-ZJUUUORDSA-N 0 2 325.369 -1.275 20 0 EAADLN CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099796684 792174473 /nfs/dbraw/zinc/17/44/73/792174473.db2.gz HYPCYZMGTMDFPK-BDAKNGLRSA-N 0 2 326.357 -1.912 20 0 EAADLN CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099796685 792174997 /nfs/dbraw/zinc/17/49/97/792174997.db2.gz HYPCYZMGTMDFPK-DTWKUNHWSA-N 0 2 326.357 -1.912 20 0 EAADLN CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099796686 792174261 /nfs/dbraw/zinc/17/42/61/792174261.db2.gz HYPCYZMGTMDFPK-IUCAKERBSA-N 0 2 326.357 -1.912 20 0 EAADLN CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099796687 792175354 /nfs/dbraw/zinc/17/53/54/792175354.db2.gz HYPCYZMGTMDFPK-RKDXNWHRSA-N 0 2 326.357 -1.912 20 0 EAADLN CNC(=O)CCCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099797548 792176154 /nfs/dbraw/zinc/17/61/54/792176154.db2.gz VKONCCXQZVPDQZ-NXEZZACHSA-N 0 2 340.384 -1.522 20 0 EAADLN CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099797549 792177322 /nfs/dbraw/zinc/17/73/22/792177322.db2.gz VKONCCXQZVPDQZ-UWVGGRQHSA-N 0 2 340.384 -1.522 20 0 EAADLN CNC(=O)CCCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099797550 792177116 /nfs/dbraw/zinc/17/71/16/792177116.db2.gz 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NCFOYBHLBPJADG-XHSDSOJGSA-N 0 2 345.451 -1.187 20 0 EAADLN Cn1c2ncn(CC(=O)NCc3n[nH]c(=O)[nH]3)c2c(=O)n(C)c1=O ZINC001142391899 793050772 /nfs/dbraw/zinc/05/07/72/793050772.db2.gz ZTJHWKBODRKVTE-UHFFFAOYSA-N 0 2 334.296 -2.426 20 0 EAADLN O=C(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001142645354 785830449 /nfs/dbraw/zinc/83/04/49/785830449.db2.gz NKPUVMZVJKDGOD-SRRSOLGSSA-N 0 2 336.348 -1.080 20 0 EAADLN O=C(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001142645354 785830437 /nfs/dbraw/zinc/83/04/37/785830437.db2.gz NKPUVMZVJKDGOD-SRRSOLGSSA-N 0 2 336.348 -1.080 20 0 EAADLN CC(=O)NCC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001142806085 793051963 /nfs/dbraw/zinc/05/19/63/793051963.db2.gz FKHPBZCZLSUFBL-JTQLQIEISA-N 0 2 325.325 -1.836 20 0 EAADLN CC(=O)NCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001142806085 793051951 /nfs/dbraw/zinc/05/19/51/793051951.db2.gz FKHPBZCZLSUFBL-JTQLQIEISA-N 0 2 325.325 -1.836 20 0 EAADLN NC(=O)CCC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001142958121 793052973 /nfs/dbraw/zinc/05/29/73/793052973.db2.gz MSJACGVSNBRJLM-VIFPVBQESA-N 0 2 325.325 -1.707 20 0 EAADLN NC(=O)CCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001142958121 793052963 /nfs/dbraw/zinc/05/29/63/793052963.db2.gz MSJACGVSNBRJLM-VIFPVBQESA-N 0 2 325.325 -1.707 20 0 EAADLN O=C(CCNC(=O)[C@@H]1CCC(=O)N1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001143128210 793053637 /nfs/dbraw/zinc/05/36/37/793053637.db2.gz NWHYBIGVDKZPPT-UWVGGRQHSA-N 0 2 337.336 -1.694 20 0 EAADLN O=C(CCNC(=O)[C@@H]1CCC(=O)N1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001143128210 793053634 /nfs/dbraw/zinc/05/36/34/793053634.db2.gz NWHYBIGVDKZPPT-UWVGGRQHSA-N 0 2 337.336 -1.694 20 0 EAADLN O=C(CCNC(=O)[C@H]1CCC(=O)N1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001143128219 793054426 /nfs/dbraw/zinc/05/44/26/793054426.db2.gz NWHYBIGVDKZPPT-ZJUUUORDSA-N 0 2 337.336 -1.694 20 0 EAADLN O=C(CCNC(=O)[C@H]1CCC(=O)N1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001143128219 793054424 /nfs/dbraw/zinc/05/44/24/793054424.db2.gz NWHYBIGVDKZPPT-ZJUUUORDSA-N 0 2 337.336 -1.694 20 0 EAADLN NC(=O)C1(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])CC1 ZINC001143165971 793054642 /nfs/dbraw/zinc/05/46/42/793054642.db2.gz ZEEMVPCBIAFCGM-VIFPVBQESA-N 0 2 337.336 -1.707 20 0 EAADLN NC(=O)C1(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])CC1 ZINC001143165971 793054633 /nfs/dbraw/zinc/05/46/33/793054633.db2.gz ZEEMVPCBIAFCGM-VIFPVBQESA-N 0 2 337.336 -1.707 20 0 EAADLN CN(C)C(=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001143283519 793055013 /nfs/dbraw/zinc/05/50/13/793055013.db2.gz CXAFSGFZQANVHM-VIFPVBQESA-N 0 2 325.325 -1.884 20 0 EAADLN CN(C)C(=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001143283519 793055000 /nfs/dbraw/zinc/05/50/00/793055000.db2.gz CXAFSGFZQANVHM-VIFPVBQESA-N 0 2 325.325 -1.884 20 0 EAADLN O=C(CCNC(=O)[C@H]1CNC(=O)C1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001143303929 793056004 /nfs/dbraw/zinc/05/60/04/793056004.db2.gz QULCAJUZJDKSSY-SCZZXKLOSA-N 0 2 337.336 -1.836 20 0 EAADLN O=C(CCNC(=O)[C@H]1CNC(=O)C1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001143303929 793055993 /nfs/dbraw/zinc/05/59/93/793055993.db2.gz QULCAJUZJDKSSY-SCZZXKLOSA-N 0 2 337.336 -1.836 20 0 EAADLN O=C(CCNC(=O)[C@@H]1CNC(=O)C1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001143303930 793055919 /nfs/dbraw/zinc/05/59/19/793055919.db2.gz QULCAJUZJDKSSY-WPRPVWTQSA-N 0 2 337.336 -1.836 20 0 EAADLN O=C(CCNC(=O)[C@@H]1CNC(=O)C1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001143303930 793055911 /nfs/dbraw/zinc/05/59/11/793055911.db2.gz QULCAJUZJDKSSY-WPRPVWTQSA-N 0 2 337.336 -1.836 20 0 EAADLN Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C(=O)[O-])CC2 ZINC001143419401 785180697 /nfs/dbraw/zinc/18/06/97/785180697.db2.gz LGGSCSWQLABKNY-UHFFFAOYSA-N 0 2 335.364 -1.223 20 0 EAADLN CNC(=O)C=CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001144089504 787447961 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ZINC001178119848 787917768 /nfs/dbraw/zinc/91/77/68/787917768.db2.gz XQGSIZRTSUVCST-NRPADANISA-N 0 2 328.350 -1.036 20 0 EAADLN C[C@H]1[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(=O)N1S(=O)(=O)[O-] ZINC001178119849 787917236 /nfs/dbraw/zinc/91/72/36/787917236.db2.gz XQGSIZRTSUVCST-XKSSXDPKSA-N 0 2 328.350 -1.036 20 0 EAADLN CN1CC[C@](C)(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)C1=O ZINC001179021068 787937406 /nfs/dbraw/zinc/93/74/06/787937406.db2.gz MIDLZLYAQWDAEQ-GFCCVEGCSA-N 0 2 329.382 -1.166 20 0 EAADLN CN1CC[C@@](C)(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)C1=O ZINC001179021069 787937180 /nfs/dbraw/zinc/93/71/80/787937180.db2.gz MIDLZLYAQWDAEQ-LBPRGKRZSA-N 0 2 329.382 -1.166 20 0 EAADLN CCS(=O)(=O)CC(=O)N1CC[C@H](NCc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001180216729 787961089 /nfs/dbraw/zinc/96/10/89/787961089.db2.gz IGAMULSWLQOLBF-UWVGGRQHSA-N 0 2 345.425 -1.378 20 0 EAADLN C[N@H+]1CCO[C@@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)C1 ZINC001180756526 787969752 /nfs/dbraw/zinc/96/97/52/787969752.db2.gz KRHOIEQPVDPANS-RXMQYKEDSA-N 0 2 348.341 -2.321 20 0 EAADLN C[N@@H+]1CCO[C@@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)C1 ZINC001180756526 787969747 /nfs/dbraw/zinc/96/97/47/787969747.db2.gz KRHOIEQPVDPANS-RXMQYKEDSA-N 0 2 348.341 -2.321 20 0 EAADLN C[N@H+]1CCO[C@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)C1 ZINC001180756527 787970728 /nfs/dbraw/zinc/97/07/28/787970728.db2.gz KRHOIEQPVDPANS-YFKPBYRVSA-N 0 2 348.341 -2.321 20 0 EAADLN C[N@@H+]1CCO[C@H](C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)C1 ZINC001180756527 787970723 /nfs/dbraw/zinc/97/07/23/787970723.db2.gz KRHOIEQPVDPANS-YFKPBYRVSA-N 0 2 348.341 -2.321 20 0 EAADLN O=C(CCNC(=O)[C@@H]1COCCO1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001181003808 789654698 /nfs/dbraw/zinc/65/46/98/789654698.db2.gz BDIUEYWJRNXRNR-QWRGUYRKSA-N 0 2 340.336 -1.557 20 0 EAADLN O=C(CCNC(=O)[C@@H]1COCCO1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001181003808 789654692 /nfs/dbraw/zinc/65/46/92/789654692.db2.gz BDIUEYWJRNXRNR-QWRGUYRKSA-N 0 2 340.336 -1.557 20 0 EAADLN O=C(CCNC(=O)[C@H]1COCCO1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001181003811 789654320 /nfs/dbraw/zinc/65/43/20/789654320.db2.gz BDIUEYWJRNXRNR-WDEREUQCSA-N 0 2 340.336 -1.557 20 0 EAADLN O=C(CCNC(=O)[C@H]1COCCO1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001181003811 789654314 /nfs/dbraw/zinc/65/43/14/789654314.db2.gz BDIUEYWJRNXRNR-WDEREUQCSA-N 0 2 340.336 -1.557 20 0 EAADLN COC(=O)CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001181387913 789660630 /nfs/dbraw/zinc/66/06/30/789660630.db2.gz CIXVOJPEEMIZDQ-VIFPVBQESA-N 0 2 326.309 -1.409 20 0 EAADLN COC(=O)CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001181387913 789660620 /nfs/dbraw/zinc/66/06/20/789660620.db2.gz CIXVOJPEEMIZDQ-VIFPVBQESA-N 0 2 326.309 -1.409 20 0 EAADLN CC(=O)OCC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001181405706 789663717 /nfs/dbraw/zinc/66/37/17/789663717.db2.gz BFHWIEFSYWEAEM-JTQLQIEISA-N 0 2 326.309 -1.409 20 0 EAADLN CC(=O)OCC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001181405706 789663711 /nfs/dbraw/zinc/66/37/11/789663711.db2.gz BFHWIEFSYWEAEM-JTQLQIEISA-N 0 2 326.309 -1.409 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001181702012 789666078 /nfs/dbraw/zinc/66/60/78/789666078.db2.gz GOWYIRQERFZGBQ-UWVGGRQHSA-N 0 2 348.319 -1.055 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001181702012 789666075 /nfs/dbraw/zinc/66/60/75/789666075.db2.gz GOWYIRQERFZGBQ-UWVGGRQHSA-N 0 2 348.319 -1.055 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001181702013 789666318 /nfs/dbraw/zinc/66/63/18/789666318.db2.gz GOWYIRQERFZGBQ-ZJUUUORDSA-N 0 2 348.319 -1.055 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001181702013 789666315 /nfs/dbraw/zinc/66/63/15/789666315.db2.gz GOWYIRQERFZGBQ-ZJUUUORDSA-N 0 2 348.319 -1.055 20 0 EAADLN CCOC(=O)CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001181789756 789668223 /nfs/dbraw/zinc/66/82/23/789668223.db2.gz 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NC(=O)[C@@H]1C[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001182384110 789683662 /nfs/dbraw/zinc/68/36/62/789683662.db2.gz FTECGTNLHUHBIV-BBBLOLIVSA-N 0 2 337.336 -1.851 20 0 EAADLN NC(=O)[C@@H]1C[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001182384110 789683658 /nfs/dbraw/zinc/68/36/58/789683658.db2.gz FTECGTNLHUHBIV-BBBLOLIVSA-N 0 2 337.336 -1.851 20 0 EAADLN NC(=O)[C@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001182384111 789683714 /nfs/dbraw/zinc/68/37/14/789683714.db2.gz FTECGTNLHUHBIV-GUBZILKMSA-N 0 2 337.336 -1.851 20 0 EAADLN NC(=O)[C@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001182384111 789683709 /nfs/dbraw/zinc/68/37/09/789683709.db2.gz FTECGTNLHUHBIV-GUBZILKMSA-N 0 2 337.336 -1.851 20 0 EAADLN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001182384112 789683066 /nfs/dbraw/zinc/68/30/66/789683066.db2.gz FTECGTNLHUHBIV-UTLUCORTSA-N 0 2 337.336 -1.851 20 0 EAADLN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001182384112 789683063 /nfs/dbraw/zinc/68/30/63/789683063.db2.gz FTECGTNLHUHBIV-UTLUCORTSA-N 0 2 337.336 -1.851 20 0 EAADLN O=C(CCNC(=O)[C@H]1CCNC1=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183031284 789707479 /nfs/dbraw/zinc/70/74/79/789707479.db2.gz LYJUAQAGMAFKPY-UWVGGRQHSA-N 0 2 337.336 -1.836 20 0 EAADLN O=C(CCNC(=O)[C@H]1CCNC1=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183031284 789707475 /nfs/dbraw/zinc/70/74/75/789707475.db2.gz LYJUAQAGMAFKPY-UWVGGRQHSA-N 0 2 337.336 -1.836 20 0 EAADLN O=C(CCNC(=O)[C@@H]1CCNC1=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183031285 789707082 /nfs/dbraw/zinc/70/70/82/789707082.db2.gz LYJUAQAGMAFKPY-ZJUUUORDSA-N 0 2 337.336 -1.836 20 0 EAADLN O=C(CCNC(=O)[C@@H]1CCNC1=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183031285 789707070 /nfs/dbraw/zinc/70/70/70/789707070.db2.gz LYJUAQAGMAFKPY-ZJUUUORDSA-N 0 2 337.336 -1.836 20 0 EAADLN CCOC(=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183254043 790323853 /nfs/dbraw/zinc/32/38/53/790323853.db2.gz PIZXQIDKWGQNDY-VIFPVBQESA-N 0 2 326.309 -1.409 20 0 EAADLN CCOC(=O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183254043 790323845 /nfs/dbraw/zinc/32/38/45/790323845.db2.gz PIZXQIDKWGQNDY-VIFPVBQESA-N 0 2 326.309 -1.409 20 0 EAADLN NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765050 790343689 /nfs/dbraw/zinc/34/36/89/790343689.db2.gz NFAJQILLTBXWMV-GHMZBOCLSA-N 0 2 334.380 -1.169 20 0 EAADLN NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765052 790343187 /nfs/dbraw/zinc/34/31/87/790343187.db2.gz NFAJQILLTBXWMV-WDEREUQCSA-N 0 2 334.380 -1.169 20 0 EAADLN NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183771822 790343846 /nfs/dbraw/zinc/34/38/46/790343846.db2.gz BGIIEDSOYCWYKI-GHMZBOCLSA-N 0 2 334.380 -1.169 20 0 EAADLN NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183771824 790342722 /nfs/dbraw/zinc/34/27/22/790342722.db2.gz BGIIEDSOYCWYKI-WDEREUQCSA-N 0 2 334.380 -1.169 20 0 EAADLN NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183773615 790342622 /nfs/dbraw/zinc/34/26/22/790342622.db2.gz REAKLPMNWWSONW-GHMZBOCLSA-N 0 2 334.380 -1.169 20 0 EAADLN NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001183773616 790342028 /nfs/dbraw/zinc/34/20/28/790342028.db2.gz REAKLPMNWWSONW-WDEREUQCSA-N 0 2 334.380 -1.169 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)C1(CO)COC1 ZINC001184047143 790354613 /nfs/dbraw/zinc/35/46/13/790354613.db2.gz NSIBGLFOCQCLNR-JTQLQIEISA-N 0 2 340.336 -1.963 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)C1(CO)COC1 ZINC001184047143 790354602 /nfs/dbraw/zinc/35/46/02/790354602.db2.gz NSIBGLFOCQCLNR-JTQLQIEISA-N 0 2 340.336 -1.963 20 0 EAADLN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001184421805 790367001 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337.317 -1.628 20 0 EAADLN C[C@H]1COCC[N@@H+]1CCNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667763 790406838 /nfs/dbraw/zinc/40/68/38/790406838.db2.gz PPKDPHDCCNTHDQ-VIFPVBQESA-N 0 2 337.317 -1.628 20 0 EAADLN CNC(=O)NCCC(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187794104 790488995 /nfs/dbraw/zinc/48/89/95/790488995.db2.gz AZBADBQIOVYVSW-VHSXEESVSA-N 0 2 337.384 -1.138 20 0 EAADLN CNC(=O)NCCC(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001187794104 790488991 /nfs/dbraw/zinc/48/89/91/790488991.db2.gz AZBADBQIOVYVSW-VHSXEESVSA-N 0 2 337.384 -1.138 20 0 EAADLN C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)NC(N)=O ZINC001187912279 790492599 /nfs/dbraw/zinc/49/25/99/790492599.db2.gz VLPARWSMUSITGJ-KXUCPTDWSA-N 0 2 337.384 -1.010 20 0 EAADLN C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)NC(N)=O ZINC001187912279 790492595 /nfs/dbraw/zinc/49/25/95/790492595.db2.gz VLPARWSMUSITGJ-KXUCPTDWSA-N 0 2 337.384 -1.010 20 0 EAADLN 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ZINC001190227351 790578791 /nfs/dbraw/zinc/57/87/91/790578791.db2.gz ILABLSFKWCICEY-DTWKUNHWSA-N 0 2 344.397 -1.908 20 0 EAADLN CCS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001190363536 790587161 /nfs/dbraw/zinc/58/71/61/790587161.db2.gz PTLIYCRXHGQNKD-VHSXEESVSA-N 0 2 343.409 -1.022 20 0 EAADLN CN(Cc1n[nH]c(=O)[nH]1)[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190980126 790630555 /nfs/dbraw/zinc/63/05/55/790630555.db2.gz AKLPDXABIUINFY-SECBINFHSA-N 0 2 331.398 -1.022 20 0 EAADLN CN(Cc1n[nH]c(=O)[nH]1)[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1 ZINC001190980127 790630299 /nfs/dbraw/zinc/63/02/99/790630299.db2.gz AKLPDXABIUINFY-VIFPVBQESA-N 0 2 331.398 -1.022 20 0 EAADLN NC(=O)[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O ZINC001191044408 790639270 /nfs/dbraw/zinc/63/92/70/790639270.db2.gz DDVCRIBZGWPOJK-LURJTMIESA-N 0 2 337.741 -1.731 20 0 EAADLN NC(=O)[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O ZINC001191044409 790640523 /nfs/dbraw/zinc/64/05/23/790640523.db2.gz DDVCRIBZGWPOJK-ZCFIWIBFSA-N 0 2 337.741 -1.731 20 0 EAADLN C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191049531 790640467 /nfs/dbraw/zinc/64/04/67/790640467.db2.gz ALLBKWDNBUJPIR-SECBINFHSA-N 0 2 326.357 -1.513 20 0 EAADLN C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191049531 790640461 /nfs/dbraw/zinc/64/04/61/790640461.db2.gz ALLBKWDNBUJPIR-SECBINFHSA-N 0 2 326.357 -1.513 20 0 EAADLN C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191049532 790639257 /nfs/dbraw/zinc/63/92/57/790639257.db2.gz ALLBKWDNBUJPIR-VIFPVBQESA-N 0 2 326.357 -1.513 20 0 EAADLN C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191049532 790639255 /nfs/dbraw/zinc/63/92/55/790639255.db2.gz ALLBKWDNBUJPIR-VIFPVBQESA-N 0 2 326.357 -1.513 20 0 EAADLN CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191050772 790640495 /nfs/dbraw/zinc/64/04/95/790640495.db2.gz LWRQLLGKGAJJRB-JTQLQIEISA-N 0 2 340.384 -1.252 20 0 EAADLN CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191050772 790640490 /nfs/dbraw/zinc/64/04/90/790640490.db2.gz LWRQLLGKGAJJRB-JTQLQIEISA-N 0 2 340.384 -1.252 20 0 EAADLN CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191050774 790639658 /nfs/dbraw/zinc/63/96/58/790639658.db2.gz LWRQLLGKGAJJRB-SNVBAGLBSA-N 0 2 340.384 -1.252 20 0 EAADLN CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191050774 790639655 /nfs/dbraw/zinc/63/96/55/790639655.db2.gz LWRQLLGKGAJJRB-SNVBAGLBSA-N 0 2 340.384 -1.252 20 0 EAADLN C[N@@H+](Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092297 790642454 /nfs/dbraw/zinc/64/24/54/790642454.db2.gz VOJROVYDAZDYKL-SSDOTTSWSA-N 0 2 332.311 -1.076 20 0 EAADLN C[N@H+](Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092297 790642448 /nfs/dbraw/zinc/64/24/48/790642448.db2.gz VOJROVYDAZDYKL-SSDOTTSWSA-N 0 2 332.311 -1.076 20 0 EAADLN C[N@@H+](Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092298 790642063 /nfs/dbraw/zinc/64/20/63/790642063.db2.gz VOJROVYDAZDYKL-ZETCQYMHSA-N 0 2 332.311 -1.076 20 0 EAADLN C[N@H+](Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092298 790642057 /nfs/dbraw/zinc/64/20/57/790642057.db2.gz VOJROVYDAZDYKL-ZETCQYMHSA-N 0 2 332.311 -1.076 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnc(=O)[nH]c1 ZINC001191185075 790648176 /nfs/dbraw/zinc/64/81/76/790648176.db2.gz UMVHMPARLQQIIF-JTQLQIEISA-N 0 2 348.319 -1.163 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnc(=O)[nH]c1 ZINC001191185075 790648171 /nfs/dbraw/zinc/64/81/71/790648171.db2.gz UMVHMPARLQQIIF-JTQLQIEISA-N 0 2 348.319 -1.163 20 0 EAADLN CCCC(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001191466682 790669200 /nfs/dbraw/zinc/66/92/00/790669200.db2.gz REXBDGXJKXYBIZ-RKDXNWHRSA-N 0 2 326.357 -1.912 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ncc[nH]c1=O ZINC001191516375 790670823 /nfs/dbraw/zinc/67/08/23/790670823.db2.gz CLIIGMZMCRSYII-VIFPVBQESA-N 0 2 348.319 -1.163 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ncc[nH]c1=O ZINC001191516375 790670820 /nfs/dbraw/zinc/67/08/20/790670820.db2.gz CLIIGMZMCRSYII-VIFPVBQESA-N 0 2 348.319 -1.163 20 0 EAADLN C[C@@H](OCC1CC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001191546454 790672430 /nfs/dbraw/zinc/67/24/30/790672430.db2.gz MGBTUDMHAZIWEA-FBIMIBRVSA-N 0 2 325.369 -1.013 20 0 EAADLN C[C@H](OCC1CC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001191546455 790672498 /nfs/dbraw/zinc/67/24/98/790672498.db2.gz MGBTUDMHAZIWEA-JMJZKYOTSA-N 0 2 325.369 -1.013 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001191575614 790674207 /nfs/dbraw/zinc/67/42/07/790674207.db2.gz FFKAKXCAYRGWNO-JTQLQIEISA-N 0 2 348.319 -1.163 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001191575614 790674200 /nfs/dbraw/zinc/67/42/00/790674200.db2.gz FFKAKXCAYRGWNO-JTQLQIEISA-N 0 2 348.319 -1.163 20 0 EAADLN CCNC(=O)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001191778397 790690959 /nfs/dbraw/zinc/69/09/59/790690959.db2.gz ZOSNVYOJOGHBQB-RKDXNWHRSA-N 0 2 326.357 -1.912 20 0 EAADLN O=C(CC[C@@H]1CCOC1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192187719 790727053 /nfs/dbraw/zinc/72/70/53/790727053.db2.gz VEOPMFMRPMMZGM-GMTAPVOTSA-N 0 2 325.369 -1.012 20 0 EAADLN O=C(CC[C@H]1CCOC1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192187720 790726553 /nfs/dbraw/zinc/72/65/53/790726553.db2.gz VEOPMFMRPMMZGM-HBNTYKKESA-N 0 2 325.369 -1.012 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]2O)c1[O-] ZINC001192221118 790729443 /nfs/dbraw/zinc/72/94/43/790729443.db2.gz ACHURXWMWSLFEY-GHMZBOCLSA-N 0 2 337.380 -1.275 20 0 EAADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2O)c1[O-] ZINC001192221118 790729435 /nfs/dbraw/zinc/72/94/35/790729435.db2.gz ACHURXWMWSLFEY-GHMZBOCLSA-N 0 2 337.380 -1.275 20 0 EAADLN C[C@@](O)(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)C1CC1 ZINC001192306165 790739004 /nfs/dbraw/zinc/73/90/04/790739004.db2.gz CSSIGKMOXRXBJV-GPCCPHFNSA-N 0 2 325.369 -1.277 20 0 EAADLN C[C@](O)(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)C1CC1 ZINC001192306166 790738050 /nfs/dbraw/zinc/73/80/50/790738050.db2.gz CSSIGKMOXRXBJV-RULNRJAQSA-N 0 2 325.369 -1.277 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccn[nH]c1=O ZINC001192403492 790748391 /nfs/dbraw/zinc/74/83/91/790748391.db2.gz HCTGXEGYJPGVGX-JTQLQIEISA-N 0 2 348.319 -1.163 20 0 EAADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccn[nH]c1=O ZINC001192403492 790748378 /nfs/dbraw/zinc/74/83/78/790748378.db2.gz HCTGXEGYJPGVGX-JTQLQIEISA-N 0 2 348.319 -1.163 20 0 EAADLN CNC(=O)CCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192413413 790750227 /nfs/dbraw/zinc/75/02/27/790750227.db2.gz MHFRZBDKVIPWSC-RKDXNWHRSA-N 0 2 326.357 -1.912 20 0 EAADLN CNC(=O)NCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192702072 790778349 /nfs/dbraw/zinc/77/83/49/790778349.db2.gz IIGIXHAHBJZQCC-HTQZYQBOSA-N 0 2 327.345 -2.509 20 0 EAADLN COCC1(CC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)CC1 ZINC001192834711 790791161 /nfs/dbraw/zinc/79/11/61/790791161.db2.gz HGRAQEFRXGUQHM-NXEZZACHSA-N 0 2 325.369 -1.012 20 0 EAADLN CNC(=O)CN(C)[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001192906180 790795973 /nfs/dbraw/zinc/79/59/73/790795973.db2.gz IQVOGOCYKCIFML-JTQLQIEISA-N 0 2 347.379 -1.650 20 0 EAADLN CNC(=O)CN(C)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001192906191 790795107 /nfs/dbraw/zinc/79/51/07/790795107.db2.gz IQVOGOCYKCIFML-SNVBAGLBSA-N 0 2 347.379 -1.650 20 0 EAADLN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192925064 790799472 /nfs/dbraw/zinc/79/94/72/790799472.db2.gz SIHAIQBGSVPDSY-HTQZYQBOSA-N 0 2 348.385 -2.889 20 0 EAADLN O=C(CO[C@H]1CCOC1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192932232 790802302 /nfs/dbraw/zinc/80/23/02/790802302.db2.gz SXEVQAGAASFHAI-IVZWLZJFSA-N 0 2 327.341 -2.023 20 0 EAADLN O=C(CO[C@@H]1CCOC1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192932233 790802784 /nfs/dbraw/zinc/80/27/84/790802784.db2.gz SXEVQAGAASFHAI-OPRDCNLKSA-N 0 2 327.341 -2.023 20 0 EAADLN C[C@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)NC(N)=O ZINC001192940657 790805801 /nfs/dbraw/zinc/80/58/01/790805801.db2.gz RNZDVVSCKQUUEO-BWZBUEFSSA-N 0 2 327.345 -2.382 20 0 EAADLN C[C@@H](CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)NC(N)=O ZINC001192940658 790803542 /nfs/dbraw/zinc/80/35/42/790803542.db2.gz RNZDVVSCKQUUEO-XLPZGREQSA-N 0 2 327.345 -2.382 20 0 EAADLN O=C(CCOCC1CC1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001192942444 790797877 /nfs/dbraw/zinc/79/78/77/790797877.db2.gz BONQMZXWEBHVPZ-GHMZBOCLSA-N 0 2 325.369 -1.012 20 0 EAADLN O=C(CCOCC(F)F)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001193041465 790809908 /nfs/dbraw/zinc/80/99/08/790809908.db2.gz GQOWWMBAHTYWIV-HTQZYQBOSA-N 0 2 335.311 -1.157 20 0 EAADLN CCO[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)C1CC1 ZINC001193069387 790812473 /nfs/dbraw/zinc/81/24/73/790812473.db2.gz ZZOOLLGQAFYFKT-CKYFFXLPSA-N 0 2 325.369 -1.013 20 0 EAADLN CCO[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O)C1CC1 ZINC001193069389 790812870 /nfs/dbraw/zinc/81/28/70/790812870.db2.gz ZZOOLLGQAFYFKT-FOGDFJRCSA-N 0 2 325.369 -1.013 20 0 EAADLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1c(O)[nH]c(=O)[nH]c1=S ZINC001193085844 790813246 /nfs/dbraw/zinc/81/32/46/790813246.db2.gz PKFWBQKXPSVUGQ-RXMQYKEDSA-N 0 2 337.379 -1.217 20 0 EAADLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1c(O)[nH]c(=O)[nH]c1=S ZINC001193085845 790812959 /nfs/dbraw/zinc/81/29/59/790812959.db2.gz PKFWBQKXPSVUGQ-YFKPBYRVSA-N 0 2 337.379 -1.217 20 0 EAADLN Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nc1=O ZINC001193129898 790815849 /nfs/dbraw/zinc/81/58/49/790815849.db2.gz BRXCLMFWOLBPCN-ATRFCDNQSA-N 0 2 341.265 -1.330 20 0 EAADLN Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C2)nc1=O ZINC001193129898 790815840 /nfs/dbraw/zinc/81/58/40/790815840.db2.gz BRXCLMFWOLBPCN-ATRFCDNQSA-N 0 2 341.265 -1.330 20 0 EAADLN Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)nc1=O ZINC001193129908 790815827 /nfs/dbraw/zinc/81/58/27/790815827.db2.gz BRXCLMFWOLBPCN-JKMUOGBPSA-N 0 2 341.265 -1.330 20 0 EAADLN Cn1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C2)nc1=O ZINC001193129908 790815815 /nfs/dbraw/zinc/81/58/15/790815815.db2.gz BRXCLMFWOLBPCN-JKMUOGBPSA-N 0 2 341.265 -1.330 20 0 EAADLN NC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001193130169 790814825 /nfs/dbraw/zinc/81/48/25/790814825.db2.gz GUNBSJIZBIGYAN-WYDQCIBASA-N 0 2 330.238 -1.757 20 0 EAADLN NC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193130169 790814808 /nfs/dbraw/zinc/81/48/08/790814808.db2.gz GUNBSJIZBIGYAN-WYDQCIBASA-N 0 2 330.238 -1.757 20 0 EAADLN NC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001193130170 790816044 /nfs/dbraw/zinc/81/60/44/790816044.db2.gz GUNBSJIZBIGYAN-XAHCXIQSSA-N 0 2 330.238 -1.757 20 0 EAADLN NC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193130170 790816032 /nfs/dbraw/zinc/81/60/32/790816032.db2.gz GUNBSJIZBIGYAN-XAHCXIQSSA-N 0 2 330.238 -1.757 20 0 EAADLN Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)n1 ZINC001193130223 790816917 /nfs/dbraw/zinc/81/69/17/790816917.db2.gz IFGAGCUETDSALB-ATRFCDNQSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C2)n1 ZINC001193130223 790816907 /nfs/dbraw/zinc/81/69/07/790816907.db2.gz IFGAGCUETDSALB-ATRFCDNQSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)n1 ZINC001193130224 790815370 /nfs/dbraw/zinc/81/53/70/790815370.db2.gz IFGAGCUETDSALB-JKMUOGBPSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnc(CN2C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C2)n1 ZINC001193130224 790815359 /nfs/dbraw/zinc/81/53/59/790815359.db2.gz IFGAGCUETDSALB-JKMUOGBPSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001193130896 790815623 /nfs/dbraw/zinc/81/56/23/790815623.db2.gz PIEGDQSBTJIQNA-ATRFCDNQSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193130896 790815608 /nfs/dbraw/zinc/81/56/08/790815608.db2.gz PIEGDQSBTJIQNA-ATRFCDNQSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001193130897 790816626 /nfs/dbraw/zinc/81/66/26/790816626.db2.gz PIEGDQSBTJIQNA-JKMUOGBPSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnnc1CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193130897 790816615 /nfs/dbraw/zinc/81/66/15/790816615.db2.gz PIEGDQSBTJIQNA-JKMUOGBPSA-N 0 2 326.254 -1.228 20 0 EAADLN CNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001193130906 790819300 /nfs/dbraw/zinc/81/93/00/790819300.db2.gz PLLUEWRDBCFAGZ-ATRFCDNQSA-N 0 2 344.265 -1.496 20 0 EAADLN CNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193130906 790819286 /nfs/dbraw/zinc/81/92/86/790819286.db2.gz PLLUEWRDBCFAGZ-ATRFCDNQSA-N 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794151336 /nfs/dbraw/zinc/15/13/36/794151336.db2.gz GUNBSJIZBIGYAN-ZDLURKLDSA-N 0 2 330.238 -1.757 20 0 EAADLN Cn1nnc(CN2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219667683 794150933 /nfs/dbraw/zinc/15/09/33/794150933.db2.gz IFGAGCUETDSALB-CHKWXVPMSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnc(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219667683 794150913 /nfs/dbraw/zinc/15/09/13/794150913.db2.gz IFGAGCUETDSALB-CHKWXVPMSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnc(CN2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219667684 794151263 /nfs/dbraw/zinc/15/12/63/794151263.db2.gz IFGAGCUETDSALB-GKROBHDKSA-N 0 2 326.254 -1.228 20 0 EAADLN Cn1nnc(CN2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)n1 ZINC001219667684 794151256 /nfs/dbraw/zinc/15/12/56/794151256.db2.gz IFGAGCUETDSALB-GKROBHDKSA-N 0 2 326.254 -1.228 20 0 EAADLN CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001219668026 794151727 /nfs/dbraw/zinc/15/17/27/794151727.db2.gz PLLUEWRDBCFAGZ-CHKWXVPMSA-N 0 2 344.265 -1.496 20 0 EAADLN CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219668026 794151725 /nfs/dbraw/zinc/15/17/25/794151725.db2.gz PLLUEWRDBCFAGZ-CHKWXVPMSA-N 0 2 344.265 -1.496 20 0 EAADLN CNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001219668028 794151574 /nfs/dbraw/zinc/15/15/74/794151574.db2.gz PLLUEWRDBCFAGZ-GKROBHDKSA-N 0 2 344.265 -1.496 20 0 EAADLN CNC(=O)NC(=O)CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001219668028 794151565 /nfs/dbraw/zinc/15/15/65/794151565.db2.gz PLLUEWRDBCFAGZ-GKROBHDKSA-N 0 2 344.265 -1.496 20 0 EAADLN CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219681096 794157833 /nfs/dbraw/zinc/15/78/33/794157833.db2.gz NJIAGFPPBATKKX-HLTSFMKQSA-N 0 2 326.357 -1.914 20 0 EAADLN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219681097 794158174 /nfs/dbraw/zinc/15/81/74/794158174.db2.gz NJIAGFPPBATKKX-YIZRAAEISA-N 0 2 326.357 -1.914 20 0 EAADLN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219683936 794159645 /nfs/dbraw/zinc/15/96/45/794159645.db2.gz HRAMVSYHPNDCMV-HLTSFMKQSA-N 0 2 342.356 -2.677 20 0 EAADLN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219683941 794158725 /nfs/dbraw/zinc/15/87/25/794158725.db2.gz HRAMVSYHPNDCMV-YIZRAAEISA-N 0 2 342.356 -2.677 20 0 EAADLN Cc1c(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)cnn1C ZINC001219713796 794161302 /nfs/dbraw/zinc/16/13/02/794161302.db2.gz IWMFFSBTJBMXPU-NEPJUHHUSA-N 0 2 349.395 -1.154 20 0 EAADLN O=C(CCc1ccncn1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219721791 794162137 /nfs/dbraw/zinc/16/21/37/794162137.db2.gz BUTLWGUNNAJHEW-MNOVXSKESA-N 0 2 333.352 -1.406 20 0 EAADLN Cn1ccc(CCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)n1 ZINC001219724178 794162195 /nfs/dbraw/zinc/16/21/95/794162195.db2.gz AJNOVICAVDNQGZ-MNOVXSKESA-N 0 2 335.368 -1.462 20 0 EAADLN Cn1nccc1CCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219727819 794164103 /nfs/dbraw/zinc/16/41/03/794164103.db2.gz QWSSVLZOZWPCLU-MNOVXSKESA-N 0 2 335.368 -1.462 20 0 EAADLN CC(C)C(=O)N(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219729883 794163536 /nfs/dbraw/zinc/16/35/36/794163536.db2.gz NJWKJVKYGIMYQE-ZJUUUORDSA-N 0 2 340.384 -1.714 20 0 EAADLN CS(=O)(=O)NCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219734946 794168434 /nfs/dbraw/zinc/16/84/34/794168434.db2.gz LWCWBSBGEDQRPW-SFYZADRCSA-N 0 2 348.385 -2.889 20 0 EAADLN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219735206 794168007 /nfs/dbraw/zinc/16/80/07/794168007.db2.gz ZXHGPBMAUPQKKI-SFYZADRCSA-N 0 2 348.385 -2.889 20 0 EAADLN CN(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O)S(C)(=O)=O ZINC001219736622 794170202 /nfs/dbraw/zinc/17/02/02/794170202.db2.gz YGWMYSFYNBLFTL-SFYZADRCSA-N 0 2 348.385 -2.937 20 0 EAADLN CN(CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O)C(=O)C1CC1 ZINC001219738702 794170847 /nfs/dbraw/zinc/17/08/47/794170847.db2.gz SQKARCVQLRNXEC-ZJUUUORDSA-N 0 2 338.368 -1.960 20 0 EAADLN COCC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219740951 794171184 /nfs/dbraw/zinc/17/11/84/794171184.db2.gz SDDHTPYJQKROFI-BDAKNGLRSA-N 0 2 342.356 -2.724 20 0 EAADLN COCC(=O)NCCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219742642 794172600 /nfs/dbraw/zinc/17/26/00/794172600.db2.gz MHINGUCEUFMRQV-BDAKNGLRSA-N 0 2 342.356 -2.676 20 0 EAADLN O=C(CCn1ccccc1=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219748099 794174196 /nfs/dbraw/zinc/17/41/96/794174196.db2.gz GYMCVPUYFSRSME-MNOVXSKESA-N 0 2 348.363 -1.576 20 0 EAADLN COCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)CC1 ZINC001219772783 794181443 /nfs/dbraw/zinc/18/14/43/794181443.db2.gz ZODSEXXGXJQPHI-ZJUUUORDSA-N 0 2 325.369 -1.012 20 0 EAADLN O=C(CCCn1ccnn1)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219790225 794182887 /nfs/dbraw/zinc/18/28/87/794182887.db2.gz DUPZHJQPELVDEE-ZJUUUORDSA-N 0 2 336.356 -1.757 20 0 EAADLN O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCCc2[nH+]ccn21 ZINC001219796474 794184752 /nfs/dbraw/zinc/18/47/52/794184752.db2.gz CHBJKIWTGBBATE-MCIONIFRSA-N 0 2 338.408 -1.069 20 0 EAADLN O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCCc2[nH+]ccn21 ZINC001219796475 794184707 /nfs/dbraw/zinc/18/47/07/794184707.db2.gz CHBJKIWTGBBATE-RDBSUJKOSA-N 0 2 338.408 -1.069 20 0 EAADLN CC[C@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)CCNC1=O ZINC001219832408 794191167 /nfs/dbraw/zinc/19/11/67/794191167.db2.gz SLDVXHPXRZOSCQ-ITMYJUKJSA-N 0 2 338.368 -1.912 20 0 EAADLN CC[C@@]1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)CCNC1=O ZINC001219832409 794191105 /nfs/dbraw/zinc/19/11/05/794191105.db2.gz SLDVXHPXRZOSCQ-TVLCNXBWSA-N 0 2 338.368 -1.912 20 0 EAADLN Cc1cc(OCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)no1 ZINC001219839091 794193375 /nfs/dbraw/zinc/19/33/75/794193375.db2.gz DPRYSACPDXQLBU-BDAKNGLRSA-N 0 2 338.324 -1.453 20 0 EAADLN C[C@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O)S(C)(=O)=O ZINC001219886932 794205443 /nfs/dbraw/zinc/20/54/43/794205443.db2.gz VQTOYDJFMIIGDB-PRJMDXOYSA-N 0 2 333.370 -2.395 20 0 EAADLN C[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O)S(C)(=O)=O ZINC001219886933 794205209 /nfs/dbraw/zinc/20/52/09/794205209.db2.gz VQTOYDJFMIIGDB-RNJXMRFFSA-N 0 2 333.370 -2.395 20 0 EAADLN CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001219902986 794210344 /nfs/dbraw/zinc/21/03/44/794210344.db2.gz OXXDCFOPFMUAEB-OLZOCXBDSA-N 0 2 341.456 -1.097 20 0 EAADLN CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903300 794210438 /nfs/dbraw/zinc/21/04/38/794210438.db2.gz XRANHRPCKMVZMF-UTUOFQBUSA-N 0 2 340.424 -1.317 20 0 EAADLN CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903301 794209686 /nfs/dbraw/zinc/20/96/86/794209686.db2.gz XRANHRPCKMVZMF-WOPDTQHZSA-N 0 2 340.424 -1.317 20 0 EAADLN CCOCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)CC1 ZINC001219904637 794210419 /nfs/dbraw/zinc/21/04/19/794210419.db2.gz JPXGUTYIQMGTDC-ZJUUUORDSA-N 0 2 325.369 -1.012 20 0 EAADLN C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910394 794210255 /nfs/dbraw/zinc/21/02/55/794210255.db2.gz AKEVUSPUFCTRGC-HLTSFMKQSA-N 0 2 342.356 -2.495 20 0 EAADLN C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910394 794210250 /nfs/dbraw/zinc/21/02/50/794210250.db2.gz AKEVUSPUFCTRGC-HLTSFMKQSA-N 0 2 342.356 -2.495 20 0 EAADLN C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910395 794209432 /nfs/dbraw/zinc/20/94/32/794209432.db2.gz AKEVUSPUFCTRGC-YIZRAAEISA-N 0 2 342.356 -2.495 20 0 EAADLN C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001219910395 794209425 /nfs/dbraw/zinc/20/94/25/794209425.db2.gz AKEVUSPUFCTRGC-YIZRAAEISA-N 0 2 342.356 -2.495 20 0 EAADLN O=C(NCC(F)F)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001219925931 794213430 /nfs/dbraw/zinc/21/34/30/794213430.db2.gz BTAZKFMSAATVTF-RITPCOANSA-N 0 2 334.283 -2.447 20 0 EAADLN COCCCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219937595 794216650 /nfs/dbraw/zinc/21/66/50/794216650.db2.gz HIYICVNXHONUDF-JLLWLGSASA-N 0 2 340.384 -1.879 20 0 EAADLN COCCCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC001219937596 794216412 /nfs/dbraw/zinc/21/64/12/794216412.db2.gz HIYICVNXHONUDF-WCQGTBRESA-N 0 2 340.384 -1.879 20 0 EAADLN C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219939646 794218679 /nfs/dbraw/zinc/21/86/79/794218679.db2.gz JUQFBVGQWSLIPH-VDAHYXPESA-N 0 2 340.340 -2.750 20 0 EAADLN C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219939646 794218673 /nfs/dbraw/zinc/21/86/73/794218673.db2.gz JUQFBVGQWSLIPH-VDAHYXPESA-N 0 2 340.340 -2.750 20 0 EAADLN 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