smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247221600 285010557 /nfs/dbraw/zinc/01/05/57/285010557.db2.gz MIWPVTGDVOXECP-HOCLYGCPSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247221600 285010558 /nfs/dbraw/zinc/01/05/58/285010558.db2.gz MIWPVTGDVOXECP-HOCLYGCPSA-N 1 3 324.469 0.975 10 0 DCAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117031558 395850060 /nfs/dbraw/zinc/85/00/60/395850060.db2.gz FVEVBMZAZYFUOU-ZIAGYGMSSA-N 1 3 300.447 0.689 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247054257 395964644 /nfs/dbraw/zinc/96/46/44/395964644.db2.gz ZLKDMMXLUWMVEH-KBAYOESNSA-N 1 3 323.481 0.628 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247054257 395964647 /nfs/dbraw/zinc/96/46/47/395964647.db2.gz ZLKDMMXLUWMVEH-KBAYOESNSA-N 1 3 323.481 0.628 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247486259 395974017 /nfs/dbraw/zinc/97/40/17/395974017.db2.gz KTFJNRABFYPQEZ-ZBFHGGJFSA-N 1 3 324.469 0.881 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247486259 395974020 /nfs/dbraw/zinc/97/40/20/395974020.db2.gz KTFJNRABFYPQEZ-ZBFHGGJFSA-N 1 3 324.469 0.881 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000248390096 395985344 /nfs/dbraw/zinc/98/53/44/395985344.db2.gz BOYAWXGYBOKLPQ-VIKVFOODSA-N 1 3 318.421 0.928 10 0 DCAEHO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000262292452 396118749 /nfs/dbraw/zinc/11/87/49/396118749.db2.gz HSAPDBRDPYZEMN-XJKSGUPXSA-N 1 3 310.442 0.269 10 0 DCAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCOC)[C@@H](C)C1 ZINC000246446053 287083426 /nfs/dbraw/zinc/08/34/26/287083426.db2.gz NWSGOMCEUHGQGR-GJZGRUSLSA-N 1 3 314.474 0.936 10 0 DCAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCOC)[C@@H](C)C1 ZINC000246446053 287083430 /nfs/dbraw/zinc/08/34/30/287083430.db2.gz NWSGOMCEUHGQGR-GJZGRUSLSA-N 1 3 314.474 0.936 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000111856655 415695427 /nfs/dbraw/zinc/69/54/27/415695427.db2.gz BMEFYIZAMCHWSM-DZGCQCFKSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000111856655 415695433 /nfs/dbraw/zinc/69/54/33/415695433.db2.gz BMEFYIZAMCHWSM-DZGCQCFKSA-N 1 3 312.458 0.879 10 0 DCAEHO CN1CCN(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000333810504 415744231 /nfs/dbraw/zinc/74/42/31/415744231.db2.gz POOVKPXGPNEXJX-CQSZACIVSA-N 1 3 311.474 0.454 10 0 DCAEHO CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000176003484 416117704 /nfs/dbraw/zinc/11/77/04/416117704.db2.gz HCAQLPKDCAVGDB-MRXNPFEDSA-N 1 3 310.486 0.955 10 0 DCAEHO CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000176003484 416117708 /nfs/dbraw/zinc/11/77/08/416117708.db2.gz HCAQLPKDCAVGDB-MRXNPFEDSA-N 1 3 310.486 0.955 10 0 DCAEHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCN(CCn2cccn2)CC1 ZINC000178885876 416176670 /nfs/dbraw/zinc/17/66/70/416176670.db2.gz JQIYZADTWYLSQZ-CABCVRRESA-N 1 3 319.453 0.933 10 0 DCAEHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000638109470 417335362 /nfs/dbraw/zinc/33/53/62/417335362.db2.gz VOJYHKRERLDNEN-IRXDYDNUSA-N 1 3 316.449 0.752 10 0 DCAEHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638109470 417335371 /nfs/dbraw/zinc/33/53/71/417335371.db2.gz VOJYHKRERLDNEN-IRXDYDNUSA-N 1 3 316.449 0.752 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000176579048 282124066 /nfs/dbraw/zinc/12/40/66/282124066.db2.gz SYWWGRFFXBAWEE-QLFBSQMISA-N 1 3 312.458 0.831 10 0 DCAEHO C[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262520065 530049478 /nfs/dbraw/zinc/04/94/78/530049478.db2.gz NYUANYJAFZLQFG-GRDNDAEWSA-N 1 3 309.454 0.977 10 0 DCAEHO CCN(CC)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236838911 202032281 /nfs/dbraw/zinc/03/22/81/202032281.db2.gz PMPDOWOWARXKOZ-HUUCEWRRSA-N 1 3 324.469 0.435 10 0 DCAEHO COCC[NH+]1CCC(NC(=O)N2CCCN(C3CC3)CC2)CC1 ZINC000194675202 395803349 /nfs/dbraw/zinc/80/33/49/395803349.db2.gz ZWIDHSYALYIZQG-UHFFFAOYSA-N 1 3 324.469 0.977 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246755609 395956688 /nfs/dbraw/zinc/95/66/88/395956688.db2.gz AHSDHNYZPJZMQT-XHSDSOJGSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246755609 395956691 /nfs/dbraw/zinc/95/66/91/395956691.db2.gz AHSDHNYZPJZMQT-XHSDSOJGSA-N 1 3 324.469 0.975 10 0 DCAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261938408 396081808 /nfs/dbraw/zinc/08/18/08/396081808.db2.gz MNJARWUEBCCMHN-XDNAFOTISA-N 1 3 324.513 0.759 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000263266825 396210462 /nfs/dbraw/zinc/21/04/62/396210462.db2.gz VNHSWFCUQJPAIS-HOCLYGCPSA-N 1 3 324.469 0.467 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000263266825 396210464 /nfs/dbraw/zinc/21/04/64/396210464.db2.gz VNHSWFCUQJPAIS-HOCLYGCPSA-N 1 3 324.469 0.467 10 0 DCAEHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000333727155 396931101 /nfs/dbraw/zinc/93/11/01/396931101.db2.gz VONQMPKUHHIRDE-UGUYLWEFSA-N 1 3 324.469 0.879 10 0 DCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948903 397004297 /nfs/dbraw/zinc/00/42/97/397004297.db2.gz FTJSSEBVAZNVHP-KGLIPLIRSA-N 1 3 322.453 0.282 10 0 DCAEHO O=C(NCCCN1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262683521 158834420 /nfs/dbraw/zinc/83/44/20/158834420.db2.gz ZACVKDIQMQRODG-IMJJTQAJSA-N 1 3 309.454 0.870 10 0 DCAEHO C[C@H]1CNCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333485084 415663629 /nfs/dbraw/zinc/66/36/29/415663629.db2.gz CNSUIMOQTRGBEG-NFOMZHRRSA-N 1 3 309.458 0.206 10 0 DCAEHO C[C@H]1CNCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333485084 415663637 /nfs/dbraw/zinc/66/36/37/415663637.db2.gz CNSUIMOQTRGBEG-NFOMZHRRSA-N 1 3 309.458 0.206 10 0 DCAEHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333657029 415709449 /nfs/dbraw/zinc/70/94/49/415709449.db2.gz KXBNHYCTBAQUKX-GOEBONIOSA-N 1 3 324.469 0.738 10 0 DCAEHO CC[NH+]1CCN(CCCNC(=O)c2cnccc2N(C)C)CC1 ZINC000183512800 416243835 /nfs/dbraw/zinc/24/38/35/416243835.db2.gz AXOBLIKRNIFWHA-UHFFFAOYSA-N 1 3 319.453 0.905 10 0 DCAEHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000237005759 416328178 /nfs/dbraw/zinc/32/81/78/416328178.db2.gz MUYWQDSGXJQVFI-MJBXVCDLSA-N 1 3 310.442 0.125 10 0 DCAEHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000438714662 416602239 /nfs/dbraw/zinc/60/22/39/416602239.db2.gz VJZSQMAHQZNRAP-CYBMUJFWSA-N 1 3 308.430 0.908 10 0 DCAEHO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000438714662 416602240 /nfs/dbraw/zinc/60/22/40/416602240.db2.gz VJZSQMAHQZNRAP-CYBMUJFWSA-N 1 3 308.430 0.908 10 0 DCAEHO CC[NH+]1CCC(CCNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000545176502 416665353 /nfs/dbraw/zinc/66/53/53/416665353.db2.gz CIHIUMYSKICKJX-MRXNPFEDSA-N 1 3 312.458 0.474 10 0 DCAEHO C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)N(C)Cc1ccccc1 ZINC000649332192 418239610 /nfs/dbraw/zinc/23/96/10/418239610.db2.gz DQJBONLDFPRLPJ-ZBFHGGJFSA-N 1 3 305.422 0.859 10 0 DCAEHO C[C@@H](NS(=O)(=O)C1CNC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209214 774153946 /nfs/dbraw/zinc/15/39/46/774153946.db2.gz AYBLOKLJMPLHDX-HIFRSBDPSA-N 1 3 323.462 0.788 10 0 DCAEHO C[C@@H](NS(=O)(=O)C1CNC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405209214 774153947 /nfs/dbraw/zinc/15/39/47/774153947.db2.gz AYBLOKLJMPLHDX-HIFRSBDPSA-N 1 3 323.462 0.788 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261812713 396068956 /nfs/dbraw/zinc/06/89/56/396068956.db2.gz GRWQKKDYVMAPNW-INIZCTEOSA-N 1 3 324.469 0.420 10 0 DCAEHO COC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262372284 396132137 /nfs/dbraw/zinc/13/21/37/396132137.db2.gz WWLULOHDRYHRRG-AWEZNQCLSA-N 1 3 312.458 0.027 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CN1C1CC1 ZINC000584686161 396614872 /nfs/dbraw/zinc/61/48/72/396614872.db2.gz IKVVWMLOIFDUCY-VNHYZAJKSA-N 1 3 320.437 0.034 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CN1C1CC1 ZINC000584686161 396614874 /nfs/dbraw/zinc/61/48/74/396614874.db2.gz IKVVWMLOIFDUCY-VNHYZAJKSA-N 1 3 320.437 0.034 10 0 DCAEHO CC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)N(C)C ZINC000125158283 158252556 /nfs/dbraw/zinc/25/25/56/158252556.db2.gz DVJMTGSHMLZTCZ-HZPDHXFCSA-N 1 3 310.486 0.955 10 0 DCAEHO CC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)N(C)C ZINC000125158283 158252557 /nfs/dbraw/zinc/25/25/57/158252557.db2.gz DVJMTGSHMLZTCZ-HZPDHXFCSA-N 1 3 310.486 0.955 10 0 DCAEHO CC(C)[NH+]1CCC(NC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000172115156 416043282 /nfs/dbraw/zinc/04/32/82/416043282.db2.gz QXAQOZZNCKIFPS-OAHLLOKOSA-N 1 3 312.458 0.831 10 0 DCAEHO COCC[NH+]1CCC(NC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000173397535 416057833 /nfs/dbraw/zinc/05/78/33/416057833.db2.gz WCKUSXMAPAKUDE-INIZCTEOSA-N 1 3 322.453 0.753 10 0 DCAEHO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000175737104 416113358 /nfs/dbraw/zinc/11/33/58/416113358.db2.gz VILYSAMYRIGLIX-OAHLLOKOSA-N 1 3 310.442 0.610 10 0 DCAEHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000175737104 416113360 /nfs/dbraw/zinc/11/33/60/416113360.db2.gz VILYSAMYRIGLIX-OAHLLOKOSA-N 1 3 310.442 0.610 10 0 DCAEHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000262307686 416336801 /nfs/dbraw/zinc/33/68/01/416336801.db2.gz MUYWQDSGXJQVFI-BFHYXJOUSA-N 1 3 310.442 0.125 10 0 DCAEHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559780737 416825371 /nfs/dbraw/zinc/82/53/71/416825371.db2.gz IFKXAQGFFYFFFX-AWEZNQCLSA-N 1 3 312.458 0.387 10 0 DCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262229180 522037468 /nfs/dbraw/zinc/03/74/68/522037468.db2.gz KDWMAMQWVYEHPY-KFWWJZLASA-N 1 3 305.426 0.276 10 0 DCAEHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000332975928 546068541 /nfs/dbraw/zinc/06/85/41/546068541.db2.gz GUFPRTJHQNGUAK-LQKXBSAESA-N 1 3 324.469 0.566 10 0 DCAEHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000332975928 546068542 /nfs/dbraw/zinc/06/85/42/546068542.db2.gz GUFPRTJHQNGUAK-LQKXBSAESA-N 1 3 324.469 0.566 10 0 DCAEHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729620835 662905909 /nfs/dbraw/zinc/90/59/09/662905909.db2.gz VSYUBKDSFVXONQ-CABCVRRESA-N 1 3 319.409 0.078 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262373728 285019753 /nfs/dbraw/zinc/01/97/53/285019753.db2.gz MMUXQCIGPMEXNO-CQSZACIVSA-N 1 3 313.442 0.230 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)CCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170859994 396099654 /nfs/dbraw/zinc/09/96/54/396099654.db2.gz FUNFSKNGJHZTKP-GJZGRUSLSA-N 1 3 324.469 0.482 10 0 DCAEHO CC[N@H+](CCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CC1 ZINC000171250987 396111775 /nfs/dbraw/zinc/11/17/75/396111775.db2.gz JLQUBOVANFWJRE-OAHLLOKOSA-N 1 3 312.458 0.617 10 0 DCAEHO CC[N@@H+](CCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CC1 ZINC000171250987 396111778 /nfs/dbraw/zinc/11/17/78/396111778.db2.gz JLQUBOVANFWJRE-OAHLLOKOSA-N 1 3 312.458 0.617 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000333589177 415690990 /nfs/dbraw/zinc/69/09/90/415690990.db2.gz OVKRXJHNEKDGCE-STQMWFEESA-N 1 3 305.426 0.663 10 0 DCAEHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117031914 415731909 /nfs/dbraw/zinc/73/19/09/415731909.db2.gz PQXDUBWXDOWOGE-LSDHHAIUSA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117031914 415731917 /nfs/dbraw/zinc/73/19/17/415731917.db2.gz PQXDUBWXDOWOGE-LSDHHAIUSA-N 1 3 312.458 0.690 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000111862671 415700035 /nfs/dbraw/zinc/70/00/35/415700035.db2.gz KROUWOYXADONPY-CABCVRRESA-N 1 3 312.458 0.738 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000111862671 415700037 /nfs/dbraw/zinc/70/00/37/415700037.db2.gz KROUWOYXADONPY-CABCVRRESA-N 1 3 312.458 0.738 10 0 DCAEHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000174350355 416077790 /nfs/dbraw/zinc/07/77/90/416077790.db2.gz JBRQDYWLMBAHPF-CABCVRRESA-N 1 3 311.474 0.263 10 0 DCAEHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000174350355 416077792 /nfs/dbraw/zinc/07/77/92/416077792.db2.gz JBRQDYWLMBAHPF-CABCVRRESA-N 1 3 311.474 0.263 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174623800 416081876 /nfs/dbraw/zinc/08/18/76/416081876.db2.gz QTBYGBHGBPIHRG-ZIAGYGMSSA-N 1 3 300.447 0.689 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174623800 416081879 /nfs/dbraw/zinc/08/18/79/416081879.db2.gz QTBYGBHGBPIHRG-ZIAGYGMSSA-N 1 3 300.447 0.689 10 0 DCAEHO COCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CC=C(C)CC2)C1 ZINC000358186402 416206687 /nfs/dbraw/zinc/20/66/87/416206687.db2.gz JAJBTLTXBOIDTF-OAHLLOKOSA-N 1 3 310.442 0.658 10 0 DCAEHO COCC[N@H+]1CC[C@@H](NC(=O)NCCN2CC=C(C)CC2)C1 ZINC000358186402 416206692 /nfs/dbraw/zinc/20/66/92/416206692.db2.gz JAJBTLTXBOIDTF-OAHLLOKOSA-N 1 3 310.442 0.658 10 0 DCAEHO [NH3+]C1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000261555454 416335630 /nfs/dbraw/zinc/33/56/30/416335630.db2.gz UZKRWRXIURDEFI-OAHLLOKOSA-N 1 3 303.406 0.885 10 0 DCAEHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCNc2ccncc2)C1 ZINC000459263760 416527465 /nfs/dbraw/zinc/52/74/65/416527465.db2.gz MJKMWJPOYMRSBW-AWEZNQCLSA-N 1 3 305.426 0.947 10 0 DCAEHO C[N@H+]1CCC[C@@H](CCNC(=O)NCCNc2ccncc2)C1 ZINC000459263760 416527469 /nfs/dbraw/zinc/52/74/69/416527469.db2.gz MJKMWJPOYMRSBW-AWEZNQCLSA-N 1 3 305.426 0.947 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)CN1C1CC1 ZINC000535265193 416518974 /nfs/dbraw/zinc/51/89/74/416518974.db2.gz WKTAFHNFKHGGON-TZMCWYRMSA-N 1 3 303.410 0.840 10 0 DCAEHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649279147 418218354 /nfs/dbraw/zinc/21/83/54/418218354.db2.gz ZGCIMZGVIYOIJD-JKSUJKDBSA-N 1 3 303.406 0.613 10 0 DCAEHO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000157353189 520610282 /nfs/dbraw/zinc/61/02/82/520610282.db2.gz ONLHHNAKGNJQIQ-ZDUSSCGKSA-N 1 3 312.458 0.420 10 0 DCAEHO CN1C[C@@H]2C[N@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@@H]2C1 ZINC000193639356 395775675 /nfs/dbraw/zinc/77/56/75/395775675.db2.gz MTDGZJYJGVNUTE-GUTXKFCHSA-N 1 3 303.410 0.409 10 0 DCAEHO CN1C[C@@H]2C[N@@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@@H]2C1 ZINC000193639356 395775682 /nfs/dbraw/zinc/77/56/82/395775682.db2.gz MTDGZJYJGVNUTE-GUTXKFCHSA-N 1 3 303.410 0.409 10 0 DCAEHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117032134 395850066 /nfs/dbraw/zinc/85/00/66/395850066.db2.gz HLEZSQBVHPXRAQ-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261778372 396064979 /nfs/dbraw/zinc/06/49/79/396064979.db2.gz MULOIMCPTKNRBZ-KGLIPLIRSA-N 1 3 301.431 0.213 10 0 DCAEHO Cc1cnn(CCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261864327 396073667 /nfs/dbraw/zinc/07/36/67/396073667.db2.gz KRJBKPUQYOJTBS-HZPDHXFCSA-N 1 3 319.453 0.772 10 0 DCAEHO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000262292449 396118889 /nfs/dbraw/zinc/11/88/89/396118889.db2.gz HSAPDBRDPYZEMN-CZUORRHYSA-N 1 3 310.442 0.269 10 0 DCAEHO CN(C)S(=O)(=O)CCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629548417 396782803 /nfs/dbraw/zinc/78/28/03/396782803.db2.gz XIZRYWQYJPCWFN-CQSZACIVSA-N 1 3 303.472 0.589 10 0 DCAEHO c1nnc2ccc(N3CC[C@H](N[C@@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522601 396775725 /nfs/dbraw/zinc/77/57/25/396775725.db2.gz DNZANONNUGYFOR-OLZOCXBDSA-N 1 3 301.398 0.435 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000172125087 158390928 /nfs/dbraw/zinc/39/09/28/158390928.db2.gz RONSOMFIFGCSIF-MRXNPFEDSA-N 1 3 324.469 0.833 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781203 417353517 /nfs/dbraw/zinc/35/35/17/417353517.db2.gz MGDJKXMGNCHZRT-PVAVHDDUSA-N 1 3 317.433 0.859 10 0 DCAEHO C[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702331244 666943226 /nfs/dbraw/zinc/94/32/26/666943226.db2.gz YTURWYRASFGLBC-UAGQMJEPSA-N 1 3 318.465 0.902 10 0 DCAEHO C[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702331244 666943230 /nfs/dbraw/zinc/94/32/30/666943230.db2.gz YTURWYRASFGLBC-UAGQMJEPSA-N 1 3 318.465 0.902 10 0 DCAEHO Cn1nncc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397504013 1158100725 /nfs/dbraw/zinc/10/07/25/1158100725.db2.gz HEQAGKKLVPPQAF-UHFFFAOYSA-N 1 3 315.421 0.932 10 0 DCAEHO C[C@H](CCNS(=O)(=O)C1CNC1)[N@H+](C)Cc1ccccc1 ZINC000405204764 774153771 /nfs/dbraw/zinc/15/37/71/774153771.db2.gz WEXIAZFTCAVHSI-CYBMUJFWSA-N 1 3 311.451 0.788 10 0 DCAEHO C[C@H](CCNS(=O)(=O)C1CNC1)[N@@H+](C)Cc1ccccc1 ZINC000405204764 774153773 /nfs/dbraw/zinc/15/37/73/774153773.db2.gz WEXIAZFTCAVHSI-CYBMUJFWSA-N 1 3 311.451 0.788 10 0 DCAEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247039851 285204436 /nfs/dbraw/zinc/20/44/36/285204436.db2.gz IWMZELHDAHVBNB-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247039851 285204437 /nfs/dbraw/zinc/20/44/37/285204437.db2.gz IWMZELHDAHVBNB-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000247141388 395967687 /nfs/dbraw/zinc/96/76/87/395967687.db2.gz SYWWGRFFXBAWEE-RRFJBIMHSA-N 1 3 312.458 0.831 10 0 DCAEHO CCN1CCN(Cc2ccccc2CNC(=O)C2C[NH2+]C2)CC1 ZINC000263337848 396214290 /nfs/dbraw/zinc/21/42/90/396214290.db2.gz WUXGBFBPHQGVSB-UHFFFAOYSA-N 1 3 316.449 0.660 10 0 DCAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000333433367 415650263 /nfs/dbraw/zinc/65/02/63/415650263.db2.gz UZESQKHGRIOXCY-YRGRVCCFSA-N 1 3 300.472 0.721 10 0 DCAEHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333758280 415731317 /nfs/dbraw/zinc/73/13/17/415731317.db2.gz ADJIWQMRNICSHZ-LSDHHAIUSA-N 1 3 311.474 0.454 10 0 DCAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333657028 415707735 /nfs/dbraw/zinc/70/77/35/415707735.db2.gz KXBNHYCTBAQUKX-GDBMZVCRSA-N 1 3 324.469 0.738 10 0 DCAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333657031 415707919 /nfs/dbraw/zinc/70/79/19/415707919.db2.gz KXBNHYCTBAQUKX-ZBFHGGJFSA-N 1 3 324.469 0.738 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000119793166 415749806 /nfs/dbraw/zinc/74/98/06/415749806.db2.gz DPPRNUZMXDKMOH-KGLIPLIRSA-N 1 3 300.447 0.593 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000119793166 415749810 /nfs/dbraw/zinc/74/98/10/415749810.db2.gz DPPRNUZMXDKMOH-KGLIPLIRSA-N 1 3 300.447 0.593 10 0 DCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020960 416534632 /nfs/dbraw/zinc/53/46/32/416534632.db2.gz VAXLQZRBVWFGDO-DOMZBBRYSA-N 1 3 303.410 0.697 10 0 DCAEHO CC(C)[NH+]1CCC(NC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000172115161 277583829 /nfs/dbraw/zinc/58/38/29/277583829.db2.gz QXAQOZZNCKIFPS-HNNXBMFYSA-N 1 3 312.458 0.831 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000263108275 280274326 /nfs/dbraw/zinc/27/43/26/280274326.db2.gz DFMQYIDNYFJNBF-NFAWXSAZSA-N 1 3 312.458 0.465 10 0 DCAEHO CN(C)CCN1Cc2ccnn2C[C@@H](COCC[NH+](C)C)C1 ZINC000096067259 289171051 /nfs/dbraw/zinc/17/10/51/289171051.db2.gz NITJWZFJFQLXQY-HNNXBMFYSA-N 1 3 309.458 0.455 10 0 DCAEHO Nc1ccc2nc(N3CC[NH2+]CC3)c(N3CCNCC3)nc2c1 ZINC000584640074 337379971 /nfs/dbraw/zinc/37/99/71/337379971.db2.gz ZSGOFCWSSLILQP-UHFFFAOYSA-N 1 3 313.409 0.031 10 0 DCAEHO O=C(NC[C@H]1CCCN(CCN2CCCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261829391 661734623 /nfs/dbraw/zinc/73/46/23/661734623.db2.gz KVSWITFIIHWKSC-HUUCEWRRSA-N 1 3 322.453 0.189 10 0 DCAEHO O=C(CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000261936061 661872504 /nfs/dbraw/zinc/87/25/04/661872504.db2.gz MFPFXRWCWRQVEM-MXWKQRLJSA-N 1 3 309.332 0.412 10 0 DCAEHO CS(=O)(=O)N[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702974671 667021222 /nfs/dbraw/zinc/02/12/22/667021222.db2.gz FPNUIFDREGHSTK-WTUNAVPPSA-N 1 3 301.456 0.531 10 0 DCAEHO COCC[C@H]([NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389949038 685258502 /nfs/dbraw/zinc/25/85/02/685258502.db2.gz RQDAAJHXHVBQEC-BPUTZDHNSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949038 685258507 /nfs/dbraw/zinc/25/85/07/685258507.db2.gz RQDAAJHXHVBQEC-BPUTZDHNSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949038 685258510 /nfs/dbraw/zinc/25/85/10/685258510.db2.gz RQDAAJHXHVBQEC-BPUTZDHNSA-N 1 3 305.422 0.987 10 0 DCAEHO C[NH+](C)CCN(Cc1ccco1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188945561 282097181 /nfs/dbraw/zinc/09/71/81/282097181.db2.gz MXBLHCCYFDVKGF-UHFFFAOYSA-N 1 3 317.393 0.852 10 0 DCAEHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236946514 202086743 /nfs/dbraw/zinc/08/67/43/202086743.db2.gz ZDWWCXFBUFGPNI-JYJNAYRXSA-N 1 3 308.470 0.661 10 0 DCAEHO CC1CCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262224877 396112771 /nfs/dbraw/zinc/11/27/71/396112771.db2.gz JSXCAEOLNALSRL-CVEARBPZSA-N 1 3 319.453 0.571 10 0 DCAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389488 396134475 /nfs/dbraw/zinc/13/44/75/396134475.db2.gz XUAQHAQCAYVSRY-GJZGRUSLSA-N 1 3 317.437 0.657 10 0 DCAEHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)C1C[NH2+]C1 ZINC000263284411 396211321 /nfs/dbraw/zinc/21/13/21/396211321.db2.gz KHZRCGNWMJNLLR-UHFFFAOYSA-N 1 3 303.406 0.479 10 0 DCAEHO C[NH+](C)C1CCN(CCNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000179283109 396225231 /nfs/dbraw/zinc/22/52/31/396225231.db2.gz KIXJWKBOANCUBP-MRXNPFEDSA-N 1 3 323.485 0.502 10 0 DCAEHO O=C([C@H]1C[C@H](O)CN1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000372909521 396553413 /nfs/dbraw/zinc/55/34/13/396553413.db2.gz GOAJXQOOURDXQB-GOEBONIOSA-N 1 3 315.417 0.894 10 0 DCAEHO C[N@H+](CCCNC[C@@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885019 396723318 /nfs/dbraw/zinc/72/33/18/396723318.db2.gz MJWABRXCHQACOK-GOSISDBHSA-N 1 3 321.465 0.791 10 0 DCAEHO C[N@@H+](CCCNC[C@@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885019 396723322 /nfs/dbraw/zinc/72/33/22/396723322.db2.gz MJWABRXCHQACOK-GOSISDBHSA-N 1 3 321.465 0.791 10 0 DCAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038211 158170352 /nfs/dbraw/zinc/17/03/52/158170352.db2.gz GQSZHEPGXJRJQU-HUUCEWRRSA-N 1 3 312.458 0.690 10 0 DCAEHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038211 158170355 /nfs/dbraw/zinc/17/03/55/158170355.db2.gz GQSZHEPGXJRJQU-HUUCEWRRSA-N 1 3 312.458 0.690 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCO1 ZINC000117032660 158170436 /nfs/dbraw/zinc/17/04/36/158170436.db2.gz GDCJDOPDEBCGNC-OAHLLOKOSA-N 1 3 312.458 0.834 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129954537 158292550 /nfs/dbraw/zinc/29/25/50/158292550.db2.gz IHHCNXWNEAJGSN-HUUCEWRRSA-N 1 3 312.458 0.690 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+](C)C(C)C ZINC000111849905 415695898 /nfs/dbraw/zinc/69/58/98/415695898.db2.gz UUYHHJQZRYSQJC-CQSZACIVSA-N 1 3 300.447 0.737 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000111849905 415695902 /nfs/dbraw/zinc/69/59/02/415695902.db2.gz UUYHHJQZRYSQJC-CQSZACIVSA-N 1 3 300.447 0.737 10 0 DCAEHO CN(C)CCN1C[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516766 416256490 /nfs/dbraw/zinc/25/64/90/416256490.db2.gz IAGFAQCEAOHEOP-KBPBESRZSA-N 1 3 322.453 0.140 10 0 DCAEHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262276940 416336392 /nfs/dbraw/zinc/33/63/92/416336392.db2.gz JWYMBZCSFWDXQX-PMPSAXMXSA-N 1 3 310.486 0.894 10 0 DCAEHO CC[NH+](CC)CC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459288975 416529801 /nfs/dbraw/zinc/52/98/01/416529801.db2.gz AETOBANSVCFULP-CYBMUJFWSA-N 1 3 310.442 0.981 10 0 DCAEHO CCn1nccc1CC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000621776261 417294139 /nfs/dbraw/zinc/29/41/39/417294139.db2.gz HGCIHPRATHNREX-OAHLLOKOSA-N 1 3 303.414 0.833 10 0 DCAEHO CCn1nccc1CC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000621776261 417294141 /nfs/dbraw/zinc/29/41/41/417294141.db2.gz HGCIHPRATHNREX-OAHLLOKOSA-N 1 3 303.414 0.833 10 0 DCAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261938410 276199407 /nfs/dbraw/zinc/19/94/07/276199407.db2.gz MNJARWUEBCCMHN-XMTFNYHQSA-N 1 3 324.513 0.759 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107283070 279088276 /nfs/dbraw/zinc/08/82/76/279088276.db2.gz UIPDXOFVIRTFLV-INIZCTEOSA-N 1 3 310.486 0.957 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107283070 279088277 /nfs/dbraw/zinc/08/82/77/279088277.db2.gz UIPDXOFVIRTFLV-INIZCTEOSA-N 1 3 310.486 0.957 10 0 DCAEHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1[nH]nc2c1CNCC2 ZINC000188981185 527650701 /nfs/dbraw/zinc/65/07/01/527650701.db2.gz JAEQRFPYXFGZKS-GFCCVEGCSA-N 1 3 321.425 0.022 10 0 DCAEHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1[nH]nc2c1CNCC2 ZINC000188981185 527650710 /nfs/dbraw/zinc/65/07/10/527650710.db2.gz JAEQRFPYXFGZKS-GFCCVEGCSA-N 1 3 321.425 0.022 10 0 DCAEHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1[nH]nc2c1CNCC2 ZINC000188981205 527651706 /nfs/dbraw/zinc/65/17/06/527651706.db2.gz JAEQRFPYXFGZKS-LBPRGKRZSA-N 1 3 321.425 0.022 10 0 DCAEHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1[nH]nc2c1CNCC2 ZINC000188981205 527651708 /nfs/dbraw/zinc/65/17/08/527651708.db2.gz JAEQRFPYXFGZKS-LBPRGKRZSA-N 1 3 321.425 0.022 10 0 DCAEHO COCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938356 685238075 /nfs/dbraw/zinc/23/80/75/685238075.db2.gz LDFIQVXXKAVICR-HOTGVXAUSA-N 1 3 305.422 0.989 10 0 DCAEHO COCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938356 685238076 /nfs/dbraw/zinc/23/80/76/685238076.db2.gz LDFIQVXXKAVICR-HOTGVXAUSA-N 1 3 305.422 0.989 10 0 DCAEHO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000262390268 291039022 /nfs/dbraw/zinc/03/90/22/291039022.db2.gz PHAOXKBBIRDCAO-SOUVJXGZSA-N 1 3 322.453 0.140 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111825188 395814126 /nfs/dbraw/zinc/81/41/26/395814126.db2.gz KTFJNRABFYPQEZ-GOEBONIOSA-N 1 3 324.469 0.881 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111825188 395814130 /nfs/dbraw/zinc/81/41/30/395814130.db2.gz KTFJNRABFYPQEZ-GOEBONIOSA-N 1 3 324.469 0.881 10 0 DCAEHO CC(C)C[N@H+]1CCc2nnc([C@@H]3CCN(CCCO)C3)n2CC1 ZINC000257188806 396035418 /nfs/dbraw/zinc/03/54/18/396035418.db2.gz GIKNDUQHRSPMEF-OAHLLOKOSA-N 1 3 321.469 0.964 10 0 DCAEHO CC(C)C[N@@H+]1CCc2nnc([C@@H]3CCN(CCCO)C3)n2CC1 ZINC000257188806 396035421 /nfs/dbraw/zinc/03/54/21/396035421.db2.gz GIKNDUQHRSPMEF-OAHLLOKOSA-N 1 3 321.469 0.964 10 0 DCAEHO CN(C)CCNC(=O)c1cccc(CNC2=[NH+]CCCN2)c1 ZINC000262147047 396104293 /nfs/dbraw/zinc/10/42/93/396104293.db2.gz QQLGEYTWFUSCNE-UHFFFAOYSA-N 1 3 303.410 0.417 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185373097 396326162 /nfs/dbraw/zinc/32/61/62/396326162.db2.gz DIEHECAKEWSFMR-OAHLLOKOSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185373097 396326165 /nfs/dbraw/zinc/32/61/65/396326165.db2.gz DIEHECAKEWSFMR-OAHLLOKOSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121744492 158214285 /nfs/dbraw/zinc/21/42/85/158214285.db2.gz OXGCUWWBWFJMGF-GJZGRUSLSA-N 1 3 314.474 0.983 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121744492 158214286 /nfs/dbraw/zinc/21/42/86/158214286.db2.gz OXGCUWWBWFJMGF-GJZGRUSLSA-N 1 3 314.474 0.983 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353442942 415546654 /nfs/dbraw/zinc/54/66/54/415546654.db2.gz DOJFFEWVTZROKS-BRWVUGGUSA-N 1 3 308.470 0.613 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353442942 415546662 /nfs/dbraw/zinc/54/66/62/415546662.db2.gz DOJFFEWVTZROKS-BRWVUGGUSA-N 1 3 308.470 0.613 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000333589172 415690164 /nfs/dbraw/zinc/69/01/64/415690164.db2.gz OVKRXJHNEKDGCE-OLZOCXBDSA-N 1 3 305.426 0.663 10 0 DCAEHO CCN1CCN([C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362763333 262069426 /nfs/dbraw/zinc/06/94/26/262069426.db2.gz QVVGMMMLHPEASR-HNNXBMFYSA-N 1 3 310.486 0.861 10 0 DCAEHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC000333368111 546078693 /nfs/dbraw/zinc/07/86/93/546078693.db2.gz FCWJBJCIQCYBDG-UMVBOHGHSA-N 1 3 318.425 0.369 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000262089815 662053984 /nfs/dbraw/zinc/05/39/84/662053984.db2.gz LHVDQQZCRCXARQ-INIZCTEOSA-N 1 3 318.421 0.524 10 0 DCAEHO C[C@H](NS(=O)(=O)C1CNC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209216 774154003 /nfs/dbraw/zinc/15/40/03/774154003.db2.gz AYBLOKLJMPLHDX-ZFWWWQNUSA-N 1 3 323.462 0.788 10 0 DCAEHO C[C@H](NS(=O)(=O)C1CNC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405209216 774154005 /nfs/dbraw/zinc/15/40/05/774154005.db2.gz AYBLOKLJMPLHDX-ZFWWWQNUSA-N 1 3 323.462 0.788 10 0 DCAEHO COC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820518 237362037 /nfs/dbraw/zinc/36/20/37/237362037.db2.gz HKOATGFPDQMQIT-HZPDHXFCSA-N 1 3 300.443 0.864 10 0 DCAEHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000155555553 291220951 /nfs/dbraw/zinc/22/09/51/291220951.db2.gz HTIKSPVAQXAQHT-OAHLLOKOSA-N 1 3 314.474 0.984 10 0 DCAEHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000155555553 291220953 /nfs/dbraw/zinc/22/09/53/291220953.db2.gz HTIKSPVAQXAQHT-OAHLLOKOSA-N 1 3 314.474 0.984 10 0 DCAEHO O=C(NCCCN1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238149201 395922079 /nfs/dbraw/zinc/92/20/79/395922079.db2.gz ZACVKDIQMQRODG-BPUTZDHNSA-N 1 3 309.454 0.870 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC(N)=O ZINC000184749695 396305050 /nfs/dbraw/zinc/30/50/50/396305050.db2.gz BOYAWXGYBOKLPQ-CHWSQXEVSA-N 1 3 318.421 0.928 10 0 DCAEHO O=S(=O)([C@@H]1CCN(CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000190156309 158558367 /nfs/dbraw/zinc/55/83/67/158558367.db2.gz QPOQJZJAIRIAEN-CQSZACIVSA-N 1 3 301.456 0.486 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246825038 416332337 /nfs/dbraw/zinc/33/23/37/416332337.db2.gz DPPRNUZMXDKMOH-ZIAGYGMSSA-N 1 3 300.447 0.593 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246825038 416332338 /nfs/dbraw/zinc/33/23/38/416332338.db2.gz DPPRNUZMXDKMOH-ZIAGYGMSSA-N 1 3 300.447 0.593 10 0 DCAEHO O=C(CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000261936059 661872743 /nfs/dbraw/zinc/87/27/43/661872743.db2.gz MFPFXRWCWRQVEM-HBNTYKKESA-N 1 3 309.332 0.412 10 0 DCAEHO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000262292446 396119073 /nfs/dbraw/zinc/11/90/73/396119073.db2.gz HSAPDBRDPYZEMN-CJNGLKHVSA-N 1 3 310.442 0.269 10 0 DCAEHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262492594 396146961 /nfs/dbraw/zinc/14/69/61/396146961.db2.gz ZQDRTIWZSSOCFS-JYJNAYRXSA-N 1 3 310.486 0.764 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185373073 396325892 /nfs/dbraw/zinc/32/58/92/396325892.db2.gz DIEHECAKEWSFMR-HNNXBMFYSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185373073 396325893 /nfs/dbraw/zinc/32/58/93/396325893.db2.gz DIEHECAKEWSFMR-HNNXBMFYSA-N 1 3 312.458 0.833 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000606703388 397686795 /nfs/dbraw/zinc/68/67/95/397686795.db2.gz UBIJTNJHCAMLRS-OAHLLOKOSA-N 1 3 303.410 0.699 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000606703388 397686798 /nfs/dbraw/zinc/68/67/98/397686798.db2.gz UBIJTNJHCAMLRS-OAHLLOKOSA-N 1 3 303.410 0.699 10 0 DCAEHO COCCC[NH+]1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000171906782 158388168 /nfs/dbraw/zinc/38/81/68/158388168.db2.gz CXLPMHGLDZSMJW-INIZCTEOSA-N 1 3 324.469 0.977 10 0 DCAEHO CN(C)[C@]1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302449 415603774 /nfs/dbraw/zinc/60/37/74/415603774.db2.gz JAYLQRJPKXRNEF-JSGCOSHPSA-N 1 3 300.472 0.865 10 0 DCAEHO Cn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000180124283 416194383 /nfs/dbraw/zinc/19/43/83/416194383.db2.gz GMCSMYOGICPWOM-UHFFFAOYSA-N 1 3 320.437 0.392 10 0 DCAEHO C[N@@H+]1CCC[C@H](CCNC(=O)NCCNc2ccncc2)C1 ZINC000459263761 416528727 /nfs/dbraw/zinc/52/87/27/416528727.db2.gz MJKMWJPOYMRSBW-CQSZACIVSA-N 1 3 305.426 0.947 10 0 DCAEHO C[N@H+]1CCC[C@H](CCNC(=O)NCCNc2ccncc2)C1 ZINC000459263761 416528728 /nfs/dbraw/zinc/52/87/28/416528728.db2.gz MJKMWJPOYMRSBW-CQSZACIVSA-N 1 3 305.426 0.947 10 0 DCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020966 416534692 /nfs/dbraw/zinc/53/46/92/416534692.db2.gz VAXLQZRBVWFGDO-IUODEOHRSA-N 1 3 303.410 0.697 10 0 DCAEHO CN(CCCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000441882505 416683183 /nfs/dbraw/zinc/68/31/83/416683183.db2.gz KSMVWWVZZXLEAO-UHFFFAOYSA-N 1 3 312.458 0.569 10 0 DCAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000333433363 297106296 /nfs/dbraw/zinc/10/62/96/297106296.db2.gz UZESQKHGRIOXCY-DYEKYZERSA-N 1 3 300.472 0.721 10 0 DCAEHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797443 282121962 /nfs/dbraw/zinc/12/19/62/282121962.db2.gz PLPNSAULLQDFEM-KBPBESRZSA-N 1 3 303.472 0.542 10 0 DCAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797443 282121964 /nfs/dbraw/zinc/12/19/64/282121964.db2.gz PLPNSAULLQDFEM-KBPBESRZSA-N 1 3 303.472 0.542 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000177061132 396165603 /nfs/dbraw/zinc/16/56/03/396165603.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC[C@@H]2CCCO2)CC[N@H+]1C ZINC000177061132 396165605 /nfs/dbraw/zinc/16/56/05/396165605.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)CN1CCN(C)CC1 ZINC000262647226 396167516 /nfs/dbraw/zinc/16/75/16/396167516.db2.gz ORNBIUCLADJHBJ-TWMKSMIVSA-N 1 3 322.497 0.907 10 0 DCAEHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000332987788 396912339 /nfs/dbraw/zinc/91/23/39/396912339.db2.gz ZVBBFCTVYGNFDW-DSJMHWKBSA-N 1 3 324.469 0.708 10 0 DCAEHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000332987788 396912344 /nfs/dbraw/zinc/91/23/44/396912344.db2.gz ZVBBFCTVYGNFDW-DSJMHWKBSA-N 1 3 324.469 0.708 10 0 DCAEHO COCCC[N@H+](C)CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000074617046 158060049 /nfs/dbraw/zinc/06/00/49/158060049.db2.gz BLIZGXXYDBXVNE-UHFFFAOYSA-N 1 3 312.458 0.834 10 0 DCAEHO COCCC[N@@H+](C)CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000074617046 158060050 /nfs/dbraw/zinc/06/00/50/158060050.db2.gz BLIZGXXYDBXVNE-UHFFFAOYSA-N 1 3 312.458 0.834 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129953832 158292622 /nfs/dbraw/zinc/29/26/22/158292622.db2.gz IHHCNXWNEAJGSN-GJZGRUSLSA-N 1 3 312.458 0.690 10 0 DCAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000049175440 415304194 /nfs/dbraw/zinc/30/41/94/415304194.db2.gz UUZPBVITWWYDMH-MRXNPFEDSA-N 1 3 324.469 0.759 10 0 DCAEHO C[NH+](C)C1CCN(CCNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000179283122 416184743 /nfs/dbraw/zinc/18/47/43/416184743.db2.gz KIXJWKBOANCUBP-INIZCTEOSA-N 1 3 323.485 0.502 10 0 DCAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643788145 417362285 /nfs/dbraw/zinc/36/22/85/417362285.db2.gz QTQQCEORFYRTOG-HOCLYGCPSA-N 1 3 305.422 0.859 10 0 DCAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCOC ZINC000246105995 281197520 /nfs/dbraw/zinc/19/75/20/281197520.db2.gz HNEJYENOJPFXLD-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCOC ZINC000246105995 281197523 /nfs/dbraw/zinc/19/75/23/281197523.db2.gz HNEJYENOJPFXLD-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000556064430 288368741 /nfs/dbraw/zinc/36/87/41/288368741.db2.gz ATBOTIBCPDJCFD-CQSZACIVSA-N 1 3 312.458 0.245 10 0 DCAEHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237202873 395906516 /nfs/dbraw/zinc/90/65/16/395906516.db2.gz KZFCZTLKUADQEP-JYJNAYRXSA-N 1 3 308.470 0.661 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246825012 395958853 /nfs/dbraw/zinc/95/88/53/395958853.db2.gz DPPRNUZMXDKMOH-UONOGXRCSA-N 1 3 300.447 0.593 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246825012 395958854 /nfs/dbraw/zinc/95/88/54/395958854.db2.gz DPPRNUZMXDKMOH-UONOGXRCSA-N 1 3 300.447 0.593 10 0 DCAEHO CC[N@H+](CCNC(=O)NC[C@H](O)CN1CCCCC1)C1CC1 ZINC000171250980 396111617 /nfs/dbraw/zinc/11/16/17/396111617.db2.gz JLQUBOVANFWJRE-HNNXBMFYSA-N 1 3 312.458 0.617 10 0 DCAEHO CC[N@@H+](CCNC(=O)NC[C@H](O)CN1CCCCC1)C1CC1 ZINC000171250980 396111620 /nfs/dbraw/zinc/11/16/20/396111620.db2.gz JLQUBOVANFWJRE-HNNXBMFYSA-N 1 3 312.458 0.617 10 0 DCAEHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000171908499 396127405 /nfs/dbraw/zinc/12/74/05/396127405.db2.gz YYTZRPKWUMVGAI-INIZCTEOSA-N 1 3 324.469 0.977 10 0 DCAEHO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000171908499 396127409 /nfs/dbraw/zinc/12/74/09/396127409.db2.gz YYTZRPKWUMVGAI-INIZCTEOSA-N 1 3 324.469 0.977 10 0 DCAEHO O=S(=O)(C1CC1)N1CCCN(CC2CC[NH2+]CC2)CC1 ZINC000261900324 396077640 /nfs/dbraw/zinc/07/76/40/396077640.db2.gz YNZSWIACLGCKFM-UHFFFAOYSA-N 1 3 301.456 0.486 10 0 DCAEHO C[NH+](C)CCOc1cccc(CNC(=O)C2(N)CCOCC2)c1 ZINC000261906901 396078218 /nfs/dbraw/zinc/07/82/18/396078218.db2.gz SLLABHHQCWQCJD-UHFFFAOYSA-N 1 3 321.421 0.751 10 0 DCAEHO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCNCC1 ZINC000077471844 396223979 /nfs/dbraw/zinc/22/39/79/396223979.db2.gz WIJHSWCDYISNLM-OAHLLOKOSA-N 1 3 319.453 0.639 10 0 DCAEHO Cn1ccnc1CC[C@H]1CCCC[N@H+]1CC(=O)N1CCNCC1 ZINC000077471844 396223983 /nfs/dbraw/zinc/22/39/83/396223983.db2.gz WIJHSWCDYISNLM-OAHLLOKOSA-N 1 3 319.453 0.639 10 0 DCAEHO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188937162 396388427 /nfs/dbraw/zinc/38/84/27/396388427.db2.gz IOUVCIGPEFRZCV-GXTWGEPZSA-N 1 3 301.406 0.646 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000247486029 287094415 /nfs/dbraw/zinc/09/44/15/287094415.db2.gz KROUWOYXADONPY-LSDHHAIUSA-N 1 3 312.458 0.738 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000247486029 287094416 /nfs/dbraw/zinc/09/44/16/287094416.db2.gz KROUWOYXADONPY-LSDHHAIUSA-N 1 3 312.458 0.738 10 0 DCAEHO COC[C@H](NC[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820446 416263443 /nfs/dbraw/zinc/26/34/43/416263443.db2.gz HKOATGFPDQMQIT-HOTGVXAUSA-N 1 3 300.443 0.864 10 0 DCAEHO COCC[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[NH2+]C1 ZINC000261725103 277241918 /nfs/dbraw/zinc/24/19/18/277241918.db2.gz LLSYJTQMRXBPSN-LZLYRXPVSA-N 1 3 317.433 0.956 10 0 DCAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]2(F)CCNC2)CC1 ZINC000179855051 290084297 /nfs/dbraw/zinc/08/42/97/290084297.db2.gz LUFBZMZZOMLUOR-WFASDCNBSA-N 1 3 301.406 0.239 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246755571 285023943 /nfs/dbraw/zinc/02/39/43/285023943.db2.gz AHSDHNYZPJZMQT-ARFHVFGLSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246755571 285023944 /nfs/dbraw/zinc/02/39/44/285023944.db2.gz AHSDHNYZPJZMQT-ARFHVFGLSA-N 1 3 324.469 0.975 10 0 DCAEHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118107380 395859778 /nfs/dbraw/zinc/85/97/78/395859778.db2.gz MEWLJGYMXRIUEL-HNNXBMFYSA-N 1 3 318.421 0.897 10 0 DCAEHO CN(C)CCNC(=O)c1cc2n(n1)CCN(c1cc[nH+]cc1)C2 ZINC000065462186 395993948 /nfs/dbraw/zinc/99/39/48/395993948.db2.gz DLAHOSSDFCIUHC-UHFFFAOYSA-N 1 3 314.393 0.590 10 0 DCAEHO C[C@H]1CCCCN1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262258658 396116061 /nfs/dbraw/zinc/11/60/61/396116061.db2.gz MBLREZPJAQOAMJ-HNNXBMFYSA-N 1 3 319.453 0.952 10 0 DCAEHO COCCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171904764 396127501 /nfs/dbraw/zinc/12/75/01/396127501.db2.gz LYTBLVPBSGEJDH-OAHLLOKOSA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171904764 396127502 /nfs/dbraw/zinc/12/75/02/396127502.db2.gz LYTBLVPBSGEJDH-OAHLLOKOSA-N 1 3 310.442 0.587 10 0 DCAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000262942532 396193062 /nfs/dbraw/zinc/19/30/62/396193062.db2.gz ADCHPSPCRWBPQT-NFAWXSAZSA-N 1 3 312.458 0.275 10 0 DCAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000262942532 396193065 /nfs/dbraw/zinc/19/30/65/396193065.db2.gz ADCHPSPCRWBPQT-NFAWXSAZSA-N 1 3 312.458 0.275 10 0 DCAEHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237202907 158637456 /nfs/dbraw/zinc/63/74/56/158637456.db2.gz KZFCZTLKUADQEP-PMPSAXMXSA-N 1 3 308.470 0.661 10 0 DCAEHO c1cncc(CNCCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000423186338 416476402 /nfs/dbraw/zinc/47/64/02/416476402.db2.gz LAZJFGHZCARHPM-SJORKVTESA-N 1 3 304.438 0.918 10 0 DCAEHO CC1(OCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[NH2+]C1 ZINC000381844528 417085788 /nfs/dbraw/zinc/08/57/88/417085788.db2.gz VPCHBIYFHZTTRF-HNNXBMFYSA-N 1 3 303.406 0.756 10 0 DCAEHO CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000643774021 417348192 /nfs/dbraw/zinc/34/81/92/417348192.db2.gz FQJJZYOFXIOLDA-DLBZAZTESA-N 1 3 317.433 0.955 10 0 DCAEHO O=C(NC[C@@H]1CCCN(CCN2CCCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261829393 661734453 /nfs/dbraw/zinc/73/44/53/661734453.db2.gz KVSWITFIIHWKSC-LSDHHAIUSA-N 1 3 322.453 0.189 10 0 DCAEHO Cn1cncc1CCCN1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000859760279 671144933 /nfs/dbraw/zinc/14/49/33/671144933.db2.gz YCYLIZJEUNOONJ-CABCVRRESA-N 1 3 303.414 0.431 10 0 DCAEHO C[C@@H](CCNS(=O)(=O)C1CNC1)[N@H+](C)Cc1ccccc1 ZINC000405204765 774153936 /nfs/dbraw/zinc/15/39/36/774153936.db2.gz WEXIAZFTCAVHSI-ZDUSSCGKSA-N 1 3 311.451 0.788 10 0 DCAEHO C[C@@H](CCNS(=O)(=O)C1CNC1)[N@@H+](C)Cc1ccccc1 ZINC000405204765 774153937 /nfs/dbraw/zinc/15/39/37/774153937.db2.gz WEXIAZFTCAVHSI-ZDUSSCGKSA-N 1 3 311.451 0.788 10 0 DCAEHO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000247295849 395970657 /nfs/dbraw/zinc/97/06/57/395970657.db2.gz ZKYBZNLWISCEQT-GXTWGEPZSA-N 1 3 306.410 0.000 10 0 DCAEHO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000247295849 395970658 /nfs/dbraw/zinc/97/06/58/395970658.db2.gz ZKYBZNLWISCEQT-GXTWGEPZSA-N 1 3 306.410 0.000 10 0 DCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696257 396057593 /nfs/dbraw/zinc/05/75/93/396057593.db2.gz JQDZIWGWTQMNPR-OCCSQVGLSA-N 1 3 318.425 0.511 10 0 DCAEHO CN(C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250382093 396014285 /nfs/dbraw/zinc/01/42/85/396014285.db2.gz JLCSDIDSWKMMKT-JKXDFHQYSA-N 1 3 315.483 0.873 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262400635 396135615 /nfs/dbraw/zinc/13/56/15/396135615.db2.gz ODJXHSMJVVZDFA-GJZGRUSLSA-N 1 3 324.469 0.387 10 0 DCAEHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000245593923 287071240 /nfs/dbraw/zinc/07/12/40/287071240.db2.gz BMANCHBXASVJAZ-LSDHHAIUSA-N 1 3 312.458 0.881 10 0 DCAEHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000245593923 287071244 /nfs/dbraw/zinc/07/12/44/287071244.db2.gz BMANCHBXASVJAZ-LSDHHAIUSA-N 1 3 312.458 0.881 10 0 DCAEHO CC1=CCN(CCNC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000458673132 416489488 /nfs/dbraw/zinc/48/94/88/416489488.db2.gz VWCMIWDUKRAYOP-MRXNPFEDSA-N 1 3 324.469 0.784 10 0 DCAEHO CC1=CCN(CCNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458673132 416489490 /nfs/dbraw/zinc/48/94/90/416489490.db2.gz VWCMIWDUKRAYOP-MRXNPFEDSA-N 1 3 324.469 0.784 10 0 DCAEHO CC1=CCN(CCNC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458673132 416489495 /nfs/dbraw/zinc/48/94/95/416489495.db2.gz VWCMIWDUKRAYOP-MRXNPFEDSA-N 1 3 324.469 0.784 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000535260892 416520152 /nfs/dbraw/zinc/52/01/52/416520152.db2.gz HYSQPENNROJVSG-GJZGRUSLSA-N 1 3 303.410 0.841 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000535260892 416520156 /nfs/dbraw/zinc/52/01/56/416520156.db2.gz HYSQPENNROJVSG-GJZGRUSLSA-N 1 3 303.410 0.841 10 0 DCAEHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ccncc1 ZINC000439052374 416605359 /nfs/dbraw/zinc/60/53/59/416605359.db2.gz WUSSTWIMHGUOQG-MRXNPFEDSA-N 1 3 320.437 0.825 10 0 DCAEHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649279146 418219468 /nfs/dbraw/zinc/21/94/68/418219468.db2.gz ZGCIMZGVIYOIJD-HZPDHXFCSA-N 1 3 303.406 0.613 10 0 DCAEHO CCN(CCO)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000187377859 261123761 /nfs/dbraw/zinc/12/37/61/261123761.db2.gz DNABFOUZBLSOQI-UHFFFAOYSA-N 1 3 314.474 0.720 10 0 DCAEHO Cc1nccn1CCCN1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000859755750 671143288 /nfs/dbraw/zinc/14/32/88/671143288.db2.gz ASFCSUGJUFKTMF-CABCVRRESA-N 1 3 303.414 0.660 10 0 DCAEHO C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[N@H+](C)C1CC1 ZINC000105267463 194091606 /nfs/dbraw/zinc/09/16/06/194091606.db2.gz VJMWESOKVLFJTK-ZFWWWQNUSA-N 1 3 312.458 0.615 10 0 DCAEHO C[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[N@@H+](C)C1CC1 ZINC000105267463 194091609 /nfs/dbraw/zinc/09/16/09/194091609.db2.gz VJMWESOKVLFJTK-ZFWWWQNUSA-N 1 3 312.458 0.615 10 0 DCAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247147683 296389419 /nfs/dbraw/zinc/38/94/19/296389419.db2.gz PQXDUBWXDOWOGE-CABCVRRESA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247147683 296389420 /nfs/dbraw/zinc/38/94/20/296389420.db2.gz PQXDUBWXDOWOGE-CABCVRRESA-N 1 3 312.458 0.690 10 0 DCAEHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111790268 395813680 /nfs/dbraw/zinc/81/36/80/395813680.db2.gz MVJSOXSDFSRXOM-AWEZNQCLSA-N 1 3 300.447 0.738 10 0 DCAEHO C[C@@H]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262363573 396130168 /nfs/dbraw/zinc/13/01/68/396130168.db2.gz VJQFOYSJDUJNGQ-BMFZPTHFSA-N 1 3 319.453 0.571 10 0 DCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262397166 396135065 /nfs/dbraw/zinc/13/50/65/396135065.db2.gz YJHXRFJIMFWJRC-XHSDSOJGSA-N 1 3 319.453 0.666 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262753179 396178386 /nfs/dbraw/zinc/17/83/86/396178386.db2.gz HAYYHXLXXAFBEV-STQMWFEESA-N 1 3 301.456 0.309 10 0 DCAEHO C[C@@H]1CC[C@@H](C(N)=O)CN1CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088691 /nfs/dbraw/zinc/08/86/91/287088691.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@@H](C(N)=O)CN1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088694 /nfs/dbraw/zinc/08/86/94/287088694.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088695 /nfs/dbraw/zinc/08/86/95/287088695.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088699 /nfs/dbraw/zinc/08/86/99/287088699.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 1 3 324.469 0.548 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000111856654 415696185 /nfs/dbraw/zinc/69/61/85/415696185.db2.gz BMEFYIZAMCHWSM-HIFRSBDPSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000111856654 415696191 /nfs/dbraw/zinc/69/61/91/415696191.db2.gz BMEFYIZAMCHWSM-HIFRSBDPSA-N 1 3 312.458 0.879 10 0 DCAEHO CC1=CCN(CCNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000458673131 416489618 /nfs/dbraw/zinc/48/96/18/416489618.db2.gz VWCMIWDUKRAYOP-INIZCTEOSA-N 1 3 324.469 0.784 10 0 DCAEHO CC1=CCN(CCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458673131 416489624 /nfs/dbraw/zinc/48/96/24/416489624.db2.gz VWCMIWDUKRAYOP-INIZCTEOSA-N 1 3 324.469 0.784 10 0 DCAEHO CC1=CCN(CCNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458673131 416489627 /nfs/dbraw/zinc/48/96/27/416489627.db2.gz VWCMIWDUKRAYOP-INIZCTEOSA-N 1 3 324.469 0.784 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)CN1C1CC1 ZINC000535265192 416518951 /nfs/dbraw/zinc/51/89/51/416518951.db2.gz WKTAFHNFKHGGON-OCCSQVGLSA-N 1 3 303.410 0.840 10 0 DCAEHO Cc1nn(C)c(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527132319 417217399 /nfs/dbraw/zinc/21/73/99/417217399.db2.gz PHJDRUGCJZWYMH-UHFFFAOYSA-N 1 3 310.446 0.994 10 0 DCAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)N(C)Cc1ccccc1 ZINC000649332190 418240424 /nfs/dbraw/zinc/24/04/24/418240424.db2.gz DQJBONLDFPRLPJ-GOEBONIOSA-N 1 3 305.422 0.859 10 0 DCAEHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408071679 277062231 /nfs/dbraw/zinc/06/22/31/277062231.db2.gz OOQXAAWLIBSXPH-HZSPNIEDSA-N 1 3 303.472 0.921 10 0 DCAEHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389494 300312554 /nfs/dbraw/zinc/31/25/54/300312554.db2.gz XUAQHAQCAYVSRY-LSDHHAIUSA-N 1 3 317.437 0.657 10 0 DCAEHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000332975929 546068581 /nfs/dbraw/zinc/06/85/81/546068581.db2.gz GUFPRTJHQNGUAK-SJXGUFTOSA-N 1 3 324.469 0.566 10 0 DCAEHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000332975929 546068583 /nfs/dbraw/zinc/06/85/83/546068583.db2.gz GUFPRTJHQNGUAK-SJXGUFTOSA-N 1 3 324.469 0.566 10 0 DCAEHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000170836760 396098506 /nfs/dbraw/zinc/09/85/06/396098506.db2.gz MZMMVRDTMOWNOV-OAHLLOKOSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)CCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170859990 396099428 /nfs/dbraw/zinc/09/94/28/396099428.db2.gz FUNFSKNGJHZTKP-GASCZTMLSA-N 1 3 324.469 0.482 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)CCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000170859990 396099430 /nfs/dbraw/zinc/09/94/30/396099430.db2.gz FUNFSKNGJHZTKP-GASCZTMLSA-N 1 3 324.469 0.482 10 0 DCAEHO C[C@H](NC(=O)NCCNc1ccncc1)C1CC[NH+](C)CC1 ZINC000606699486 397687071 /nfs/dbraw/zinc/68/70/71/397687071.db2.gz OOPDQUFZNJKOGH-ZDUSSCGKSA-N 1 3 305.426 0.945 10 0 DCAEHO COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170758850 158375969 /nfs/dbraw/zinc/37/59/69/158375969.db2.gz DYZMAINSBNQTSV-GJZGRUSLSA-N 1 3 323.437 0.470 10 0 DCAEHO COCCC[NH+]1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000171906781 158388891 /nfs/dbraw/zinc/38/88/91/158388891.db2.gz CXLPMHGLDZSMJW-MRXNPFEDSA-N 1 3 324.469 0.977 10 0 DCAEHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000245593919 287071334 /nfs/dbraw/zinc/07/13/34/287071334.db2.gz BMANCHBXASVJAZ-HUUCEWRRSA-N 1 3 312.458 0.881 10 0 DCAEHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000245593919 287071335 /nfs/dbraw/zinc/07/13/35/287071335.db2.gz BMANCHBXASVJAZ-HUUCEWRRSA-N 1 3 312.458 0.881 10 0 DCAEHO C[C@H]1C[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262142325 416336179 /nfs/dbraw/zinc/33/61/79/416336179.db2.gz HFQYCNLUZBALRZ-GJZGRUSLSA-N 1 3 319.453 0.903 10 0 DCAEHO CN1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C[C@@H]2C1 ZINC000193639373 277198292 /nfs/dbraw/zinc/19/82/92/277198292.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 1 3 303.410 0.409 10 0 DCAEHO CN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C[C@@H]2C1 ZINC000193639373 277198293 /nfs/dbraw/zinc/19/82/93/277198293.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 1 3 303.410 0.409 10 0 DCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117034383 278970634 /nfs/dbraw/zinc/97/06/34/278970634.db2.gz QBBKVAMZYZODLZ-LSDHHAIUSA-N 1 3 314.474 0.935 10 0 DCAEHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262409189 545985129 /nfs/dbraw/zinc/98/51/29/545985129.db2.gz ZDBKDWAIWFXSHX-FZMZJTMJSA-N 1 3 317.389 0.805 10 0 DCAEHO CC(C)N1CCC(N(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722223330 659388853 /nfs/dbraw/zinc/38/88/53/659388853.db2.gz IRDANXFRLGCSGR-CQSZACIVSA-N 1 3 303.472 0.873 10 0 DCAEHO O=C(CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000261936057 661872377 /nfs/dbraw/zinc/87/23/77/661872377.db2.gz MFPFXRWCWRQVEM-GMTAPVOTSA-N 1 3 309.332 0.412 10 0 DCAEHO O=C(CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000261936055 661872764 /nfs/dbraw/zinc/87/27/64/661872764.db2.gz MFPFXRWCWRQVEM-AXFHLTTASA-N 1 3 309.332 0.412 10 0 DCAEHO CS(=O)(=O)N[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702974670 667022252 /nfs/dbraw/zinc/02/22/52/667022252.db2.gz FPNUIFDREGHSTK-GSPSYOTPSA-N 1 3 301.456 0.531 10 0 DCAEHO CCN(CC)CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236838881 202033120 /nfs/dbraw/zinc/03/31/20/202033120.db2.gz PMPDOWOWARXKOZ-CABCVRRESA-N 1 3 324.469 0.435 10 0 DCAEHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](N)C1CCOCC1 ZINC000261778373 396065053 /nfs/dbraw/zinc/06/50/53/396065053.db2.gz MULOIMCPTKNRBZ-UONOGXRCSA-N 1 3 301.431 0.213 10 0 DCAEHO O=C(N1CCN2CCC[C@@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262142553 396103722 /nfs/dbraw/zinc/10/37/22/396103722.db2.gz HHVLVEMTNHTQNS-CQSZACIVSA-N 1 3 303.410 0.268 10 0 DCAEHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262300352 396120438 /nfs/dbraw/zinc/12/04/38/396120438.db2.gz PNVJFOFNHUDFME-IMJJTQAJSA-N 1 3 319.453 0.523 10 0 DCAEHO COc1cc(C)nc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000262331309 396125199 /nfs/dbraw/zinc/12/51/99/396125199.db2.gz SNACIRIMYJRGOJ-ZDUSSCGKSA-N 1 3 306.410 0.686 10 0 DCAEHO C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000173914162 396136260 /nfs/dbraw/zinc/13/62/60/396136260.db2.gz MBNYTDSAUPIHTF-HUUCEWRRSA-N 1 3 311.474 0.215 10 0 DCAEHO O=C([C@H]1C[C@H](F)CN1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000188782322 396386694 /nfs/dbraw/zinc/38/66/94/396386694.db2.gz YHCVPNUTLCEROE-DZGCQCFKSA-N 1 3 313.417 0.790 10 0 DCAEHO CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000617503236 396740981 /nfs/dbraw/zinc/74/09/81/396740981.db2.gz AJPRVJJVLMJWPM-DZGCQCFKSA-N 1 3 314.474 0.535 10 0 DCAEHO CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000617503236 396740983 /nfs/dbraw/zinc/74/09/83/396740983.db2.gz AJPRVJJVLMJWPM-DZGCQCFKSA-N 1 3 314.474 0.535 10 0 DCAEHO C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)CN1CCN(C)CC1 ZINC000333390776 396924256 /nfs/dbraw/zinc/92/42/56/396924256.db2.gz OTLDGIZASKFXLS-CABCVRRESA-N 1 3 311.474 0.311 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CN1C1CC1 ZINC000246340419 287081455 /nfs/dbraw/zinc/08/14/55/287081455.db2.gz OJJSDLMBCRJIRS-IJEWVQPXSA-N 1 3 324.469 0.758 10 0 DCAEHO CC(C)N(C)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107281154 415664061 /nfs/dbraw/zinc/66/40/61/415664061.db2.gz XQUYRRATQDRJHF-MRXNPFEDSA-N 1 3 310.486 0.955 10 0 DCAEHO CC(C)N(C)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107281154 415664068 /nfs/dbraw/zinc/66/40/68/415664068.db2.gz XQUYRRATQDRJHF-MRXNPFEDSA-N 1 3 310.486 0.955 10 0 DCAEHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCN(CCn2cccn2)CC1 ZINC000178885897 416176330 /nfs/dbraw/zinc/17/63/30/416176330.db2.gz JQIYZADTWYLSQZ-HUUCEWRRSA-N 1 3 319.453 0.933 10 0 DCAEHO CC[NH+]1CCC(CCNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000362066620 416553962 /nfs/dbraw/zinc/55/39/62/416553962.db2.gz NKMZSIDCJGHFEQ-INIZCTEOSA-N 1 3 308.470 0.615 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000577239806 417675439 /nfs/dbraw/zinc/67/54/39/417675439.db2.gz RMPUIXUOSOTDEP-JALIKCBVSA-N 1 3 322.453 0.280 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000577239806 417675444 /nfs/dbraw/zinc/67/54/44/417675444.db2.gz RMPUIXUOSOTDEP-JALIKCBVSA-N 1 3 322.453 0.280 10 0 DCAEHO O=C(NC[C@@H]1CNCCO1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333613440 303797390 /nfs/dbraw/zinc/79/73/90/303797390.db2.gz YINDCOJWUCOBSG-GJZGRUSLSA-N 1 3 310.442 0.635 10 0 DCAEHO CN(C)C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702430607 666956427 /nfs/dbraw/zinc/95/64/27/666956427.db2.gz NQUGRPBFNKGDNZ-IRXDYDNUSA-N 1 3 318.465 0.856 10 0 DCAEHO CN(C)C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702430607 666956429 /nfs/dbraw/zinc/95/64/29/666956429.db2.gz NQUGRPBFNKGDNZ-IRXDYDNUSA-N 1 3 318.465 0.856 10 0 DCAEHO C[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262520084 530049492 /nfs/dbraw/zinc/04/94/92/530049492.db2.gz NYUANYJAFZLQFG-JKIFEVAISA-N 1 3 309.454 0.977 10 0 DCAEHO C[NH+](C)CCOc1ccccc1CNC(=O)C1(N)CCOCC1 ZINC000261692357 396057030 /nfs/dbraw/zinc/05/70/30/396057030.db2.gz DFIWUCIPRCNHLH-UHFFFAOYSA-N 1 3 321.421 0.751 10 0 DCAEHO [NH3+]CCN(CCC(=O)N1CCNCC1)CCc1ccccc1 ZINC000262074768 396095919 /nfs/dbraw/zinc/09/59/19/396095919.db2.gz KFNHDKMGUZFYIX-UHFFFAOYSA-N 1 3 304.438 0.312 10 0 DCAEHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262071362 396096037 /nfs/dbraw/zinc/09/60/37/396096037.db2.gz BSIVKVJESLWILR-BMFZPTHFSA-N 1 3 319.453 0.714 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CN1C1CC1 ZINC000262119096 396101264 /nfs/dbraw/zinc/10/12/64/396101264.db2.gz FSWPGCLJJWUJQX-JMGFVUJMSA-N 1 3 317.437 0.465 10 0 DCAEHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)CN1CCN(C)CC1 ZINC000262647229 396167852 /nfs/dbraw/zinc/16/78/52/396167852.db2.gz ORNBIUCLADJHBJ-VQHPVUNQSA-N 1 3 322.497 0.907 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000114022662 158150795 /nfs/dbraw/zinc/15/07/95/158150795.db2.gz GZLXXEWVYVGKQN-CQSZACIVSA-N 1 3 312.458 0.881 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129954318 158292186 /nfs/dbraw/zinc/29/21/86/158292186.db2.gz IHHCNXWNEAJGSN-LSDHHAIUSA-N 1 3 312.458 0.690 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353442938 415547289 /nfs/dbraw/zinc/54/72/89/415547289.db2.gz DOJFFEWVTZROKS-BBWFWOEESA-N 1 3 308.470 0.613 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353442938 415547298 /nfs/dbraw/zinc/54/72/98/415547298.db2.gz DOJFFEWVTZROKS-BBWFWOEESA-N 1 3 308.470 0.613 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000153601175 415984714 /nfs/dbraw/zinc/98/47/14/415984714.db2.gz AYAQZAARJATECF-HOCLYGCPSA-N 1 3 324.469 0.833 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174623820 416081701 /nfs/dbraw/zinc/08/17/01/416081701.db2.gz QTBYGBHGBPIHRG-KGLIPLIRSA-N 1 3 300.447 0.689 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174623820 416081705 /nfs/dbraw/zinc/08/17/05/416081705.db2.gz QTBYGBHGBPIHRG-KGLIPLIRSA-N 1 3 300.447 0.689 10 0 DCAEHO C[C@@H](CNC(=O)c1cnccc1N(C)C)CN1CCN(C)CC1 ZINC000183570667 416246238 /nfs/dbraw/zinc/24/62/38/416246238.db2.gz FZPGNLQJSJJTLR-AWEZNQCLSA-N 1 3 319.453 0.761 10 0 DCAEHO C[C@@H](CNC(=O)c1cnccc1N(C)C)C[NH+]1CCN(C)CC1 ZINC000183570667 416246241 /nfs/dbraw/zinc/24/62/41/416246241.db2.gz FZPGNLQJSJJTLR-AWEZNQCLSA-N 1 3 319.453 0.761 10 0 DCAEHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000553023427 288284717 /nfs/dbraw/zinc/28/47/17/288284717.db2.gz RAPQPVYJUAZQGD-AWEZNQCLSA-N 1 3 312.458 0.387 10 0 DCAEHO COCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938355 685237913 /nfs/dbraw/zinc/23/79/13/685237913.db2.gz LDFIQVXXKAVICR-CVEARBPZSA-N 1 3 305.422 0.989 10 0 DCAEHO COCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938355 685237916 /nfs/dbraw/zinc/23/79/16/685237916.db2.gz LDFIQVXXKAVICR-CVEARBPZSA-N 1 3 305.422 0.989 10 0 DCAEHO CCN(CC)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236838859 202032671 /nfs/dbraw/zinc/03/26/71/202032671.db2.gz PMPDOWOWARXKOZ-LSDHHAIUSA-N 1 3 324.469 0.435 10 0 DCAEHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262300348 396120901 /nfs/dbraw/zinc/12/09/01/396120901.db2.gz PNVJFOFNHUDFME-BMFZPTHFSA-N 1 3 319.453 0.523 10 0 DCAEHO CCN1CCN(c2ccccc2CNC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263200586 396205878 /nfs/dbraw/zinc/20/58/78/396205878.db2.gz IYKGHKPFNBXOJY-SJLPKXTDSA-N 1 3 318.465 0.498 10 0 DCAEHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)C[NH+]1CCCC1 ZINC000117035701 415731367 /nfs/dbraw/zinc/73/13/67/415731367.db2.gz ISSFKUVPLPHHKO-LSDHHAIUSA-N 1 3 312.458 0.690 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000153601070 415983932 /nfs/dbraw/zinc/98/39/32/415983932.db2.gz AYAQZAARJATECF-GOEBONIOSA-N 1 3 324.469 0.833 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000173504554 416060126 /nfs/dbraw/zinc/06/01/26/416060126.db2.gz NTKCJLGCHKUJNI-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000173504554 416060129 /nfs/dbraw/zinc/06/01/29/416060129.db2.gz NTKCJLGCHKUJNI-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[NH+](CC)CC1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000357301563 416060261 /nfs/dbraw/zinc/06/02/61/416060261.db2.gz FDQBUQZVFIXKTO-UHFFFAOYSA-N 1 3 310.486 0.814 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174623831 416081480 /nfs/dbraw/zinc/08/14/80/416081480.db2.gz QTBYGBHGBPIHRG-KBPBESRZSA-N 1 3 300.447 0.689 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174623831 416081484 /nfs/dbraw/zinc/08/14/84/416081484.db2.gz QTBYGBHGBPIHRG-KBPBESRZSA-N 1 3 300.447 0.689 10 0 DCAEHO CN(C)[C@@]1(CNC(=O)NCCNc2cc[nH+]cc2)CCSC1 ZINC000360743902 416407284 /nfs/dbraw/zinc/40/72/84/416407284.db2.gz GWMXDPMHZYDIQH-OAHLLOKOSA-N 1 3 323.466 0.652 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000535260893 416518487 /nfs/dbraw/zinc/51/84/87/416518487.db2.gz HYSQPENNROJVSG-HUUCEWRRSA-N 1 3 303.410 0.841 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000535260893 416518492 /nfs/dbraw/zinc/51/84/92/416518492.db2.gz HYSQPENNROJVSG-HUUCEWRRSA-N 1 3 303.410 0.841 10 0 DCAEHO CC1(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[NH2+]C1 ZINC000381844529 417086916 /nfs/dbraw/zinc/08/69/16/417086916.db2.gz VPCHBIYFHZTTRF-OAHLLOKOSA-N 1 3 303.406 0.756 10 0 DCAEHO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)N(C)Cc1ccccc1 ZINC000649332191 418240003 /nfs/dbraw/zinc/24/00/03/418240003.db2.gz DQJBONLDFPRLPJ-HOCLYGCPSA-N 1 3 305.422 0.859 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000117045383 289198060 /nfs/dbraw/zinc/19/80/60/289198060.db2.gz NEZTVMAKXCWZIA-OAHLLOKOSA-N 1 3 312.458 0.690 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111866564 285033557 /nfs/dbraw/zinc/03/35/57/285033557.db2.gz KISLDVHULFQJED-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246935146 395960954 /nfs/dbraw/zinc/96/09/54/395960954.db2.gz BYQGSELYXPHLEQ-KBPBESRZSA-N 1 3 300.447 0.689 10 0 DCAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246935146 395960956 /nfs/dbraw/zinc/96/09/56/395960956.db2.gz BYQGSELYXPHLEQ-KBPBESRZSA-N 1 3 300.447 0.689 10 0 DCAEHO CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309737199 396759574 /nfs/dbraw/zinc/75/95/74/396759574.db2.gz URVPEMVFXSJYTA-QGZVFWFLSA-N 1 3 316.449 0.625 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCO1 ZINC000117032663 158170039 /nfs/dbraw/zinc/17/00/39/158170039.db2.gz GDCJDOPDEBCGNC-HNNXBMFYSA-N 1 3 312.458 0.834 10 0 DCAEHO CN1CCC[C@@H]1C(=O)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119452045 158187405 /nfs/dbraw/zinc/18/74/05/158187405.db2.gz GHCIERDEEQAPGJ-MRXNPFEDSA-N 1 3 308.470 0.711 10 0 DCAEHO O=C(N[C@H]1CCCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000333491177 415664262 /nfs/dbraw/zinc/66/42/62/415664262.db2.gz DIKSGGARXSZQLG-INIZCTEOSA-N 1 3 324.469 0.882 10 0 DCAEHO CC[C@H](C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)[NH+](C)C ZINC000152002293 415966727 /nfs/dbraw/zinc/96/67/27/415966727.db2.gz BPFZYTVWIZWERT-HZPDHXFCSA-N 1 3 310.486 0.955 10 0 DCAEHO COCCN(C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261816201 416335828 /nfs/dbraw/zinc/33/58/28/416335828.db2.gz AFIGBZMUESRWFA-XJKCOSOUSA-N 1 3 313.442 0.213 10 0 DCAEHO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000438714663 416601491 /nfs/dbraw/zinc/60/14/91/416601491.db2.gz VJZSQMAHQZNRAP-ZDUSSCGKSA-N 1 3 308.430 0.908 10 0 DCAEHO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000438714663 416601495 /nfs/dbraw/zinc/60/14/95/416601495.db2.gz VJZSQMAHQZNRAP-ZDUSSCGKSA-N 1 3 308.430 0.908 10 0 DCAEHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000262167018 276272636 /nfs/dbraw/zinc/27/26/36/276272636.db2.gz UMXZQIIYBIRIDI-RNJOBUHISA-N 1 3 320.380 0.914 10 0 DCAEHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000262167018 276272637 /nfs/dbraw/zinc/27/26/37/276272637.db2.gz UMXZQIIYBIRIDI-RNJOBUHISA-N 1 3 320.380 0.914 10 0 DCAEHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333928412 289037767 /nfs/dbraw/zinc/03/77/67/289037767.db2.gz XGRQLZOBKVCMKS-IBEHDNSVSA-N 1 3 324.469 0.471 10 0 DCAEHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117032129 298564829 /nfs/dbraw/zinc/56/48/29/298564829.db2.gz HLEZSQBVHPXRAQ-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000171202304 396111297 /nfs/dbraw/zinc/11/12/97/396111297.db2.gz USGPNSDUEKQSHT-HNNXBMFYSA-N 1 3 312.458 0.881 10 0 DCAEHO CC[NH2+]CC1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000262344696 396127911 /nfs/dbraw/zinc/12/79/11/396127911.db2.gz URIFBDHGJPMFMH-UHFFFAOYSA-N 1 3 303.410 0.818 10 0 DCAEHO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188788898 396386551 /nfs/dbraw/zinc/38/65/51/396386551.db2.gz JMCWZHMRWXXGAY-GXTWGEPZSA-N 1 3 301.406 0.692 10 0 DCAEHO O=C(NC[C@@H]1CNCCO1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333613438 396929981 /nfs/dbraw/zinc/92/99/81/396929981.db2.gz YINDCOJWUCOBSG-CABCVRRESA-N 1 3 310.442 0.635 10 0 DCAEHO O=C1CNC(=O)N1CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000171385778 158381734 /nfs/dbraw/zinc/38/17/34/158381734.db2.gz SAXSHQPPHFWLHJ-UHFFFAOYSA-N 1 3 308.426 0.736 10 0 DCAEHO CN1CCC(CC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000362894726 287218340 /nfs/dbraw/zinc/21/83/40/287218340.db2.gz QNJDYWOXSOLBPQ-UHFFFAOYSA-N 1 3 310.486 0.861 10 0 DCAEHO COCCNCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000178889334 416176111 /nfs/dbraw/zinc/17/61/11/416176111.db2.gz YPJHRZWPTXCHPD-ZBFHGGJFSA-N 1 3 320.437 0.644 10 0 DCAEHO COCC[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000178889334 416176116 /nfs/dbraw/zinc/17/61/16/416176116.db2.gz YPJHRZWPTXCHPD-ZBFHGGJFSA-N 1 3 320.437 0.644 10 0 DCAEHO Cc1nc(NCCN2CCCC2)nc(NCC[NH+]2CCCC2)n1 ZINC000359579694 416351338 /nfs/dbraw/zinc/35/13/38/416351338.db2.gz FCNYEDNKXUQXFT-UHFFFAOYSA-N 1 3 319.457 0.039 10 0 DCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696260 288304710 /nfs/dbraw/zinc/30/47/10/288304710.db2.gz JQDZIWGWTQMNPR-TZMCWYRMSA-N 1 3 318.425 0.511 10 0 DCAEHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729620837 662905955 /nfs/dbraw/zinc/90/59/55/662905955.db2.gz VSYUBKDSFVXONQ-HUUCEWRRSA-N 1 3 319.409 0.078 10 0 DCAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000245396371 395927207 /nfs/dbraw/zinc/92/72/07/395927207.db2.gz KZVCXDSNDSMUNJ-HUUCEWRRSA-N 1 3 314.474 0.863 10 0 DCAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000245396371 395927210 /nfs/dbraw/zinc/92/72/10/395927210.db2.gz KZVCXDSNDSMUNJ-HUUCEWRRSA-N 1 3 314.474 0.863 10 0 DCAEHO Cc1cnn(CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261864324 396073231 /nfs/dbraw/zinc/07/32/31/396073231.db2.gz KRJBKPUQYOJTBS-HOTGVXAUSA-N 1 3 319.453 0.772 10 0 DCAEHO O=C(N1CCN2CCC[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262142549 396103695 /nfs/dbraw/zinc/10/36/95/396103695.db2.gz HHVLVEMTNHTQNS-AWEZNQCLSA-N 1 3 303.410 0.268 10 0 DCAEHO CC(C)[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)N1CCN(C)CC1 ZINC000188923626 396388682 /nfs/dbraw/zinc/38/86/82/396388682.db2.gz MVMMFDVVNHBKMO-BFHYXJOUSA-N 1 3 300.422 0.075 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CN1C1CC1 ZINC000584686159 396615021 /nfs/dbraw/zinc/61/50/21/396615021.db2.gz IKVVWMLOIFDUCY-NFAWXSAZSA-N 1 3 320.437 0.034 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CN1C1CC1 ZINC000584686159 396615023 /nfs/dbraw/zinc/61/50/23/396615023.db2.gz IKVVWMLOIFDUCY-NFAWXSAZSA-N 1 3 320.437 0.034 10 0 DCAEHO C[N@H+](CCCNC[C@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885020 396723071 /nfs/dbraw/zinc/72/30/71/396723071.db2.gz MJWABRXCHQACOK-SFHVURJKSA-N 1 3 321.465 0.791 10 0 DCAEHO C[N@@H+](CCCNC[C@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885020 396723075 /nfs/dbraw/zinc/72/30/75/396723075.db2.gz MJWABRXCHQACOK-SFHVURJKSA-N 1 3 321.465 0.791 10 0 DCAEHO CCC[N@H+](CC)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175766738 416111612 /nfs/dbraw/zinc/11/16/12/416111612.db2.gz MOZKOXGLJKSDHP-CQSZACIVSA-N 1 3 300.447 0.690 10 0 DCAEHO CCC[N@@H+](CC)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175766738 416111615 /nfs/dbraw/zinc/11/16/15/416111615.db2.gz MOZKOXGLJKSDHP-CQSZACIVSA-N 1 3 300.447 0.690 10 0 DCAEHO CN1CC[NH+](C[C@H]2CCCN(Cc3ccnc(N)c3)C2)CC1 ZINC000373247655 416951328 /nfs/dbraw/zinc/95/13/28/416951328.db2.gz RWVFYNNVIVKKKT-MRXNPFEDSA-N 1 3 303.454 1.123 10 0 DCAEHO CN1CCN(C[C@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247655 416951334 /nfs/dbraw/zinc/95/13/34/416951334.db2.gz RWVFYNNVIVKKKT-MRXNPFEDSA-N 1 3 303.454 1.123 10 0 DCAEHO CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247655 416951344 /nfs/dbraw/zinc/95/13/44/416951344.db2.gz RWVFYNNVIVKKKT-MRXNPFEDSA-N 1 3 303.454 1.123 10 0 DCAEHO CN1CCC(CNC(=O)[C@H]2CNCCO2)([NH+]2CCCCC2)CC1 ZINC000188282060 200220807 /nfs/dbraw/zinc/22/08/07/200220807.db2.gz DQHVPYILUSVYQF-OAHLLOKOSA-N 1 3 324.469 0.041 10 0 DCAEHO CCN(CC)CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804948 284575967 /nfs/dbraw/zinc/57/59/67/284575967.db2.gz JCVOFGYAOJPHNN-NSHDSACASA-N 1 3 310.364 0.281 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113604655 285011075 /nfs/dbraw/zinc/01/10/75/285011075.db2.gz MIWPVTGDVOXECP-GOEBONIOSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113604655 285011076 /nfs/dbraw/zinc/01/10/76/285011076.db2.gz MIWPVTGDVOXECP-GOEBONIOSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247368642 285022058 /nfs/dbraw/zinc/02/20/58/285022058.db2.gz DRDJLPRLCMLLDD-HZPDHXFCSA-N 1 3 324.469 0.977 10 0 DCAEHO C[NH+](C)CCO[C@H]1C[C@@H]2CN(c3ncc(F)cn3)CCN2C1 ZINC000247941492 257114444 /nfs/dbraw/zinc/11/44/44/257114444.db2.gz ADWURQGPFUTFJP-KGLIPLIRSA-N 1 3 309.389 0.457 10 0 DCAEHO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]2C1 ZINC000193601574 395773577 /nfs/dbraw/zinc/77/35/77/395773577.db2.gz BOZIMYMEHKLJND-PHIMTYICSA-N 1 3 322.434 0.669 10 0 DCAEHO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]2C1 ZINC000193601574 395773578 /nfs/dbraw/zinc/77/35/78/395773578.db2.gz BOZIMYMEHKLJND-PHIMTYICSA-N 1 3 322.434 0.669 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111866568 395814783 /nfs/dbraw/zinc/81/47/83/395814783.db2.gz KISLDVHULFQJED-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262144214 396103378 /nfs/dbraw/zinc/10/33/78/396103378.db2.gz HHWRKGKPFCUWTA-CQSZACIVSA-N 1 3 305.426 0.562 10 0 DCAEHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCN(Cc2ccccc2)CC1 ZINC000262416165 396137549 /nfs/dbraw/zinc/13/75/49/396137549.db2.gz ZSGRQEBFYPFXCN-IRXDYDNUSA-N 1 3 317.433 0.595 10 0 DCAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572387 396156884 /nfs/dbraw/zinc/15/68/84/396156884.db2.gz XPTMFVOLYKRTID-VWPFQQQWSA-N 1 3 309.454 0.977 10 0 DCAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572387 396156888 /nfs/dbraw/zinc/15/68/88/396156888.db2.gz XPTMFVOLYKRTID-VWPFQQQWSA-N 1 3 309.454 0.977 10 0 DCAEHO NC1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000262669831 396170876 /nfs/dbraw/zinc/17/08/76/396170876.db2.gz MYTQKIFFWSXPCX-UHFFFAOYSA-N 1 3 316.405 0.942 10 0 DCAEHO CCC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000263273784 396211125 /nfs/dbraw/zinc/21/11/25/396211125.db2.gz XRCBXBQWQVJFHT-HNNXBMFYSA-N 1 3 312.458 0.324 10 0 DCAEHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000333727154 286093468 /nfs/dbraw/zinc/09/34/68/286093468.db2.gz VONQMPKUHHIRDE-FXUDXRNXSA-N 1 3 324.469 0.879 10 0 DCAEHO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000173914130 416067047 /nfs/dbraw/zinc/06/70/47/416067047.db2.gz MBNYTDSAUPIHTF-GJZGRUSLSA-N 1 3 311.474 0.215 10 0 DCAEHO Cc1cc(N2CCN(CC3CC[NH2+]CC3)CC2)n2ncnc2n1 ZINC000178979717 416179251 /nfs/dbraw/zinc/17/92/51/416179251.db2.gz BQTSGSSVEQQQOC-UHFFFAOYSA-N 1 3 315.425 0.554 10 0 DCAEHO COCCNCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554763 416335443 /nfs/dbraw/zinc/33/54/43/416335443.db2.gz UMTHYCWPSXDGKL-INIZCTEOSA-N 1 3 305.422 0.955 10 0 DCAEHO COCCNCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554763 416335444 /nfs/dbraw/zinc/33/54/44/416335444.db2.gz UMTHYCWPSXDGKL-INIZCTEOSA-N 1 3 305.422 0.955 10 0 DCAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193475446 261142610 /nfs/dbraw/zinc/14/26/10/261142610.db2.gz XDWBAVKJWHFXOH-HOCLYGCPSA-N 1 3 324.469 0.617 10 0 DCAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193475446 261142612 /nfs/dbraw/zinc/14/26/12/261142612.db2.gz XDWBAVKJWHFXOH-HOCLYGCPSA-N 1 3 324.469 0.617 10 0 DCAEHO COCC[C@H]([NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389949062 685258104 /nfs/dbraw/zinc/25/81/04/685258104.db2.gz RQDAAJHXHVBQEC-VNQPRFMTSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389949062 685258108 /nfs/dbraw/zinc/25/81/08/685258108.db2.gz RQDAAJHXHVBQEC-VNQPRFMTSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389949062 685258112 /nfs/dbraw/zinc/25/81/12/685258112.db2.gz RQDAAJHXHVBQEC-VNQPRFMTSA-N 1 3 305.422 0.987 10 0 DCAEHO CN1CC2(C[C@H]1C(=O)NCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072436391 191166479 /nfs/dbraw/zinc/16/64/79/191166479.db2.gz WRYKNIWXCJKXEV-LBPRGKRZSA-N 1 3 323.466 0.458 10 0 DCAEHO CC[C@@H](C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)[NH+](C)C ZINC000152002049 395998288 /nfs/dbraw/zinc/99/82/88/395998288.db2.gz BPFZYTVWIZWERT-HOTGVXAUSA-N 1 3 310.486 0.955 10 0 DCAEHO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000247028669 395964373 /nfs/dbraw/zinc/96/43/73/395964373.db2.gz PPBSJXKPJXPRIY-CVEARBPZSA-N 1 3 323.485 0.360 10 0 DCAEHO C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000247028669 395964376 /nfs/dbraw/zinc/96/43/76/395964376.db2.gz PPBSJXKPJXPRIY-CVEARBPZSA-N 1 3 323.485 0.360 10 0 DCAEHO CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250382100 396014617 /nfs/dbraw/zinc/01/46/17/396014617.db2.gz JLCSDIDSWKMMKT-RDGKXADDSA-N 1 3 315.483 0.873 10 0 DCAEHO COC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262373142 396131614 /nfs/dbraw/zinc/13/16/14/396131614.db2.gz WWLULOHDRYHRRG-CQSZACIVSA-N 1 3 312.458 0.027 10 0 DCAEHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CCN(Cc2ccccc2)CC1 ZINC000262416162 396137657 /nfs/dbraw/zinc/13/76/57/396137657.db2.gz ZSGRQEBFYPFXCN-DLBZAZTESA-N 1 3 317.433 0.595 10 0 DCAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261881048 396074919 /nfs/dbraw/zinc/07/49/19/396074919.db2.gz UPTFUNNBDNHKCX-ZBFHGGJFSA-N 1 3 309.454 0.931 10 0 DCAEHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261881048 396074921 /nfs/dbraw/zinc/07/49/21/396074921.db2.gz UPTFUNNBDNHKCX-ZBFHGGJFSA-N 1 3 309.454 0.931 10 0 DCAEHO COCCNCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186575956 396352725 /nfs/dbraw/zinc/35/27/25/396352725.db2.gz YHXJDUALRXGBNE-INIZCTEOSA-N 1 3 320.437 0.788 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887677 158332147 /nfs/dbraw/zinc/33/21/47/158332147.db2.gz ZLKDMMXLUWMVEH-JQHSSLGASA-N 1 3 323.481 0.628 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134887677 158332150 /nfs/dbraw/zinc/33/21/50/158332150.db2.gz ZLKDMMXLUWMVEH-JQHSSLGASA-N 1 3 323.481 0.628 10 0 DCAEHO C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)CN1CCN(C)CC1 ZINC000333390777 415634996 /nfs/dbraw/zinc/63/49/96/415634996.db2.gz OTLDGIZASKFXLS-GJZGRUSLSA-N 1 3 311.474 0.311 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000111857337 415698703 /nfs/dbraw/zinc/69/87/03/415698703.db2.gz NDNBZMNQVIPJRS-OAHLLOKOSA-N 1 3 312.458 0.738 10 0 DCAEHO c1cncc(CNCCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000423186336 416475629 /nfs/dbraw/zinc/47/56/29/416475629.db2.gz LAZJFGHZCARHPM-IAGOWNOFSA-N 1 3 304.438 0.918 10 0 DCAEHO CN1CCC(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000362715594 262063586 /nfs/dbraw/zinc/06/35/86/262063586.db2.gz LCRKYCYINYYPGV-OAHLLOKOSA-N 1 3 324.469 0.422 10 0 DCAEHO CN1CCC(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000362715594 262063589 /nfs/dbraw/zinc/06/35/89/262063589.db2.gz LCRKYCYINYYPGV-OAHLLOKOSA-N 1 3 324.469 0.422 10 0 DCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]2(F)CCNC2)CC1 ZINC000179855070 277637790 /nfs/dbraw/zinc/63/77/90/277637790.db2.gz LUFBZMZZOMLUOR-DOMZBBRYSA-N 1 3 301.406 0.239 10 0 DCAEHO CC1=CC[N@H+](CCNC(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000546566503 288018782 /nfs/dbraw/zinc/01/87/82/288018782.db2.gz MMNVMTPTLYNUKP-MRXNPFEDSA-N 1 3 323.485 0.574 10 0 DCAEHO CC1=CC[N@@H+](CCNC(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000546566503 288018785 /nfs/dbraw/zinc/01/87/85/288018785.db2.gz MMNVMTPTLYNUKP-MRXNPFEDSA-N 1 3 323.485 0.574 10 0 DCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117034391 279124513 /nfs/dbraw/zinc/12/45/13/279124513.db2.gz QBBKVAMZYZODLZ-CABCVRRESA-N 1 3 314.474 0.935 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261781350 545977120 /nfs/dbraw/zinc/97/71/20/545977120.db2.gz PFQBUEPTCGYOLT-HUUCEWRRSA-N 1 3 324.469 0.374 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111866566 285033696 /nfs/dbraw/zinc/03/36/96/285033696.db2.gz KISLDVHULFQJED-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111868070 285034084 /nfs/dbraw/zinc/03/40/84/285034084.db2.gz DRDJLPRLCMLLDD-HOTGVXAUSA-N 1 3 324.469 0.977 10 0 DCAEHO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000247295856 395970711 /nfs/dbraw/zinc/97/07/11/395970711.db2.gz ZKYBZNLWISCEQT-JSGCOSHPSA-N 1 3 306.410 0.000 10 0 DCAEHO Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000247295856 395970712 /nfs/dbraw/zinc/97/07/12/395970712.db2.gz ZKYBZNLWISCEQT-JSGCOSHPSA-N 1 3 306.410 0.000 10 0 DCAEHO CCN1CCN(CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000261873955 396074456 /nfs/dbraw/zinc/07/44/56/396074456.db2.gz SRABTBWDMZJGHN-XYPWUTKMSA-N 1 3 308.470 0.755 10 0 DCAEHO CO[C@H]1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530411121 396577305 /nfs/dbraw/zinc/57/73/05/396577305.db2.gz GHKRYAJYEPGKPX-KBPBESRZSA-N 1 3 300.447 0.689 10 0 DCAEHO CCN(CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000578521736 397447774 /nfs/dbraw/zinc/44/77/74/397447774.db2.gz KQWUTHDNYDTFLE-LSDHHAIUSA-N 1 3 320.441 0.341 10 0 DCAEHO CCCC(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797333 158012227 /nfs/dbraw/zinc/01/22/27/158012227.db2.gz LVNKPNXRFDUBKC-UHFFFAOYSA-N 1 3 324.469 0.578 10 0 DCAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000122071980 158219079 /nfs/dbraw/zinc/21/90/79/158219079.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000122071980 158219081 /nfs/dbraw/zinc/21/90/81/158219081.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 1 3 300.443 0.957 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000111856657 415697103 /nfs/dbraw/zinc/69/71/03/415697103.db2.gz BMEFYIZAMCHWSM-UKRRQHHQSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000111856657 415697106 /nfs/dbraw/zinc/69/71/06/415697106.db2.gz BMEFYIZAMCHWSM-UKRRQHHQSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCN(C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119372825 415745504 /nfs/dbraw/zinc/74/55/04/415745504.db2.gz ZSVADVCXGJRBSH-UHFFFAOYSA-N 1 3 314.474 0.984 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CCO1 ZINC000177551938 416148629 /nfs/dbraw/zinc/14/86/29/416148629.db2.gz VCSOOXFCOZMEJP-ZDUSSCGKSA-N 1 3 324.429 0.239 10 0 DCAEHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247147699 416332523 /nfs/dbraw/zinc/33/25/23/416332523.db2.gz PQXDUBWXDOWOGE-GJZGRUSLSA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247147699 416332524 /nfs/dbraw/zinc/33/25/24/416332524.db2.gz PQXDUBWXDOWOGE-GJZGRUSLSA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@@H]1CCCCN1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237678640 416328712 /nfs/dbraw/zinc/32/87/12/416328712.db2.gz QGHCAHPJEZRUAV-CYBMUJFWSA-N 1 3 320.441 0.807 10 0 DCAEHO O=C(NCCNc1cc[nH+]cc1)NC1CCN(C2CC2)CC1 ZINC000533812235 416490330 /nfs/dbraw/zinc/49/03/30/416490330.db2.gz QSZKOFJFLPWOOF-UHFFFAOYSA-N 1 3 303.410 0.841 10 0 DCAEHO CC[NH+](CC)CC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459288977 416530143 /nfs/dbraw/zinc/53/01/43/416530143.db2.gz AETOBANSVCFULP-ZDUSSCGKSA-N 1 3 310.442 0.981 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781202 417354931 /nfs/dbraw/zinc/35/49/31/417354931.db2.gz MGDJKXMGNCHZRT-OIISXLGYSA-N 1 3 317.433 0.859 10 0 DCAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193475459 261142170 /nfs/dbraw/zinc/14/21/70/261142170.db2.gz XDWBAVKJWHFXOH-GDBMZVCRSA-N 1 3 324.469 0.617 10 0 DCAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193475459 261142173 /nfs/dbraw/zinc/14/21/73/261142173.db2.gz XDWBAVKJWHFXOH-GDBMZVCRSA-N 1 3 324.469 0.617 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000176579076 289199435 /nfs/dbraw/zinc/19/94/35/289199435.db2.gz SYWWGRFFXBAWEE-SOUVJXGZSA-N 1 3 312.458 0.831 10 0 DCAEHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729620838 662905920 /nfs/dbraw/zinc/90/59/20/662905920.db2.gz VSYUBKDSFVXONQ-LSDHHAIUSA-N 1 3 319.409 0.078 10 0 DCAEHO O=C1CCCN1C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000111683910 395812127 /nfs/dbraw/zinc/81/21/27/395812127.db2.gz WHXMSGMORSBUJA-INIZCTEOSA-N 1 3 309.454 0.778 10 0 DCAEHO CC(C)C[N@H+]1CCc2nnc([C@H]3CCN(CCCO)C3)n2CC1 ZINC000257188805 396035318 /nfs/dbraw/zinc/03/53/18/396035318.db2.gz GIKNDUQHRSPMEF-HNNXBMFYSA-N 1 3 321.469 0.964 10 0 DCAEHO CC(C)C[N@@H+]1CCc2nnc([C@H]3CCN(CCCO)C3)n2CC1 ZINC000257188805 396035321 /nfs/dbraw/zinc/03/53/21/396035321.db2.gz GIKNDUQHRSPMEF-HNNXBMFYSA-N 1 3 321.469 0.964 10 0 DCAEHO COc1cc(C)nc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000262331307 396125423 /nfs/dbraw/zinc/12/54/23/396125423.db2.gz SNACIRIMYJRGOJ-CYBMUJFWSA-N 1 3 306.410 0.686 10 0 DCAEHO CN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309737198 396760340 /nfs/dbraw/zinc/76/03/40/396760340.db2.gz URVPEMVFXSJYTA-KRWDZBQOSA-N 1 3 316.449 0.625 10 0 DCAEHO CC[NH+](CC)CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000176670628 416131929 /nfs/dbraw/zinc/13/19/29/416131929.db2.gz XLZDFECAHGJNMB-INIZCTEOSA-N 1 3 310.486 0.957 10 0 DCAEHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262276938 416336579 /nfs/dbraw/zinc/33/65/79/416336579.db2.gz JWYMBZCSFWDXQX-OWCLPIDISA-N 1 3 310.486 0.894 10 0 DCAEHO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccnc(N)c3)C2)CC1 ZINC000373247654 416952791 /nfs/dbraw/zinc/95/27/91/416952791.db2.gz RWVFYNNVIVKKKT-INIZCTEOSA-N 1 3 303.454 1.123 10 0 DCAEHO CN1CCN(C[C@@H]2CCC[N@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247654 416952801 /nfs/dbraw/zinc/95/28/01/416952801.db2.gz RWVFYNNVIVKKKT-INIZCTEOSA-N 1 3 303.454 1.123 10 0 DCAEHO CN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247654 416952808 /nfs/dbraw/zinc/95/28/08/416952808.db2.gz RWVFYNNVIVKKKT-INIZCTEOSA-N 1 3 303.454 1.123 10 0 DCAEHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455653381 417615095 /nfs/dbraw/zinc/61/50/95/417615095.db2.gz AWGLRCRTEFOTDH-CYBMUJFWSA-N 1 3 308.430 0.908 10 0 DCAEHO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455653381 417615099 /nfs/dbraw/zinc/61/50/99/417615099.db2.gz AWGLRCRTEFOTDH-CYBMUJFWSA-N 1 3 308.430 0.908 10 0 DCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN(C)CCOC ZINC000177486935 279297663 /nfs/dbraw/zinc/29/76/63/279297663.db2.gz IQTKWYNBKDMTDI-CQSZACIVSA-N 1 3 300.447 0.690 10 0 DCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCN(C)CCOC ZINC000177486935 279297664 /nfs/dbraw/zinc/29/76/64/279297664.db2.gz IQTKWYNBKDMTDI-CQSZACIVSA-N 1 3 300.447 0.690 10 0 DCAEHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333928415 289037894 /nfs/dbraw/zinc/03/78/94/289037894.db2.gz XGRQLZOBKVCMKS-YIDVYQOGSA-N 1 3 324.469 0.471 10 0 DCAEHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)CN1CCN(C)CC1 ZINC000237447117 524444405 /nfs/dbraw/zinc/44/44/05/524444405.db2.gz ORNBIUCLADJHBJ-QZWWFDLISA-N 1 3 322.497 0.907 10 0 DCAEHO C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150526 525033645 /nfs/dbraw/zinc/03/36/45/525033645.db2.gz LJRDVQINSVQXPE-KBPBESRZSA-N 1 3 314.474 0.935 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702407852 666954797 /nfs/dbraw/zinc/95/47/97/666954797.db2.gz GHDORISBHXJTNA-HOTGVXAUSA-N 1 3 304.438 0.514 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702407852 666954800 /nfs/dbraw/zinc/95/48/00/666954800.db2.gz GHDORISBHXJTNA-HOTGVXAUSA-N 1 3 304.438 0.514 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111866569 285021725 /nfs/dbraw/zinc/02/17/25/285021725.db2.gz KISLDVHULFQJED-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033903 395850784 /nfs/dbraw/zinc/85/07/84/395850784.db2.gz XAXUAUGEYIDPPU-UKRRQHHQSA-N 1 3 310.442 0.443 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033903 395850785 /nfs/dbraw/zinc/85/07/85/395850785.db2.gz XAXUAUGEYIDPPU-UKRRQHHQSA-N 1 3 310.442 0.443 10 0 DCAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3CCC[C@H]3C2)CC1 ZINC000246456101 395950939 /nfs/dbraw/zinc/95/09/39/395950939.db2.gz YDDOESBNPQZOHR-INIZCTEOSA-N 1 3 308.470 0.755 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247366846 395972593 /nfs/dbraw/zinc/97/25/93/395972593.db2.gz OXGCUWWBWFJMGF-LSDHHAIUSA-N 1 3 314.474 0.983 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247366846 395972596 /nfs/dbraw/zinc/97/25/96/395972596.db2.gz OXGCUWWBWFJMGF-LSDHHAIUSA-N 1 3 314.474 0.983 10 0 DCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262397165 396134972 /nfs/dbraw/zinc/13/49/72/396134972.db2.gz YJHXRFJIMFWJRC-OAGGEKHMSA-N 1 3 319.453 0.666 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000179286185 396225261 /nfs/dbraw/zinc/22/52/61/396225261.db2.gz ODYFGJBINNSRFF-OAHLLOKOSA-N 1 3 311.474 0.358 10 0 DCAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000309745834 396759336 /nfs/dbraw/zinc/75/93/36/396759336.db2.gz UFZZPJLTAHTZPH-OAHLLOKOSA-N 1 3 304.438 0.528 10 0 DCAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117031563 158170500 /nfs/dbraw/zinc/17/05/00/158170500.db2.gz FVEVBMZAZYFUOU-KGLIPLIRSA-N 1 3 300.447 0.689 10 0 DCAEHO CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N(C)C ZINC000125157763 158252401 /nfs/dbraw/zinc/25/24/01/158252401.db2.gz DVJMTGSHMLZTCZ-JKSUJKDBSA-N 1 3 310.486 0.955 10 0 DCAEHO CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N(C)C ZINC000125157763 158252403 /nfs/dbraw/zinc/25/24/03/158252403.db2.gz DVJMTGSHMLZTCZ-JKSUJKDBSA-N 1 3 310.486 0.955 10 0 DCAEHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000333433362 415646826 /nfs/dbraw/zinc/64/68/26/415646826.db2.gz UZESQKHGRIOXCY-BZPMIXESSA-N 1 3 300.472 0.721 10 0 DCAEHO COCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000173397547 416057706 /nfs/dbraw/zinc/05/77/06/416057706.db2.gz WCKUSXMAPAKUDE-MRXNPFEDSA-N 1 3 322.453 0.753 10 0 DCAEHO COCCNCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000178889343 416175610 /nfs/dbraw/zinc/17/56/10/416175610.db2.gz YPJHRZWPTXCHPD-HOCLYGCPSA-N 1 3 320.437 0.644 10 0 DCAEHO COCC[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000178889343 416175612 /nfs/dbraw/zinc/17/56/12/416175612.db2.gz YPJHRZWPTXCHPD-HOCLYGCPSA-N 1 3 320.437 0.644 10 0 DCAEHO C[NH+]1CCC(CNC(=O)[C@@H]2COCCN2)(N2CCCCC2)CC1 ZINC000178891044 416175754 /nfs/dbraw/zinc/17/57/54/416175754.db2.gz WITWOSXRXGVINV-HNNXBMFYSA-N 1 3 324.469 0.041 10 0 DCAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@]2(F)CCNC2)CC1 ZINC000179855085 416191659 /nfs/dbraw/zinc/19/16/59/416191659.db2.gz LUFBZMZZOMLUOR-SWLSCSKDSA-N 1 3 301.406 0.239 10 0 DCAEHO CN(C)Cc1ccc(N2CCN(C(=O)C[NH2+]C3CC3)CC2)nc1 ZINC000182167329 261115571 /nfs/dbraw/zinc/11/55/71/261115571.db2.gz POEOIDJJXZMTGF-UHFFFAOYSA-N 1 3 317.437 0.544 10 0 DCAEHO CC1=CC[N@H+](CCNC(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000546566502 288018858 /nfs/dbraw/zinc/01/88/58/288018858.db2.gz MMNVMTPTLYNUKP-INIZCTEOSA-N 1 3 323.485 0.574 10 0 DCAEHO CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000546566502 288018860 /nfs/dbraw/zinc/01/88/60/288018860.db2.gz MMNVMTPTLYNUKP-INIZCTEOSA-N 1 3 323.485 0.574 10 0 DCAEHO CCC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000157860010 520972859 /nfs/dbraw/zinc/97/28/59/520972859.db2.gz MIIGKHBETGPXBJ-HUUCEWRRSA-N 1 3 324.469 0.482 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229712 /nfs/dbraw/zinc/22/97/12/291229712.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229713 /nfs/dbraw/zinc/22/97/13/291229713.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229714 /nfs/dbraw/zinc/22/97/14/291229714.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000157890654 291229715 /nfs/dbraw/zinc/22/97/15/291229715.db2.gz FTNLQCQRRIPUAW-PYHGIMPFSA-N 1 3 324.469 0.548 10 0 DCAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117044234 395850384 /nfs/dbraw/zinc/85/03/84/395850384.db2.gz BYQGSELYXPHLEQ-UONOGXRCSA-N 1 3 300.447 0.689 10 0 DCAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117044234 395850389 /nfs/dbraw/zinc/85/03/89/395850389.db2.gz BYQGSELYXPHLEQ-UONOGXRCSA-N 1 3 300.447 0.689 10 0 DCAEHO CN(C)CCOc1ccccc1C(=O)NCCN1CC[NH2+]CC1 ZINC000237185201 395905899 /nfs/dbraw/zinc/90/58/99/395905899.db2.gz WSUMADUTPJAHMH-UHFFFAOYSA-N 1 3 320.437 0.262 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000246253148 395945090 /nfs/dbraw/zinc/94/50/90/395945090.db2.gz PPQLSULVYDFPCT-RBSFLKMASA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000246253148 395945093 /nfs/dbraw/zinc/94/50/93/395945093.db2.gz PPQLSULVYDFPCT-RBSFLKMASA-N 1 3 300.443 0.957 10 0 DCAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246935164 395961663 /nfs/dbraw/zinc/96/16/63/395961663.db2.gz BYQGSELYXPHLEQ-KGLIPLIRSA-N 1 3 300.447 0.689 10 0 DCAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246935164 395961667 /nfs/dbraw/zinc/96/16/67/395961667.db2.gz BYQGSELYXPHLEQ-KGLIPLIRSA-N 1 3 300.447 0.689 10 0 DCAEHO O=c1n2ccccc2nn1CCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261696149 396057816 /nfs/dbraw/zinc/05/78/16/396057816.db2.gz JMZCCLLLEZUXBS-OAHLLOKOSA-N 1 3 315.421 0.960 10 0 DCAEHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261938944 396081975 /nfs/dbraw/zinc/08/19/75/396081975.db2.gz KZFCZTLKUADQEP-XHSDSOJGSA-N 1 3 308.470 0.661 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000263237838 396208648 /nfs/dbraw/zinc/20/86/48/396208648.db2.gz KENSHFVBPCUPMY-HNNXBMFYSA-N 1 3 312.458 0.467 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000263237838 396208652 /nfs/dbraw/zinc/20/86/52/396208652.db2.gz KENSHFVBPCUPMY-HNNXBMFYSA-N 1 3 312.458 0.467 10 0 DCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117034386 158170729 /nfs/dbraw/zinc/17/07/29/158170729.db2.gz QBBKVAMZYZODLZ-HUUCEWRRSA-N 1 3 314.474 0.935 10 0 DCAEHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN1CCOC)C1CC1 ZINC000111849974 415698503 /nfs/dbraw/zinc/69/85/03/415698503.db2.gz YZUBODDWFPXXGG-OAHLLOKOSA-N 1 3 312.458 0.881 10 0 DCAEHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN1CCOC)C1CC1 ZINC000111849974 415698508 /nfs/dbraw/zinc/69/85/08/415698508.db2.gz YZUBODDWFPXXGG-OAHLLOKOSA-N 1 3 312.458 0.881 10 0 DCAEHO OC1(CNC2=[NH+]CCCN2)CCN(Cc2ccccc2)CC1 ZINC000397687397 262163974 /nfs/dbraw/zinc/16/39/74/262163974.db2.gz OLXHFMLVTMXTBO-UHFFFAOYSA-N 1 3 302.422 0.952 10 0 DCAEHO CO[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530411123 287747584 /nfs/dbraw/zinc/74/75/84/287747584.db2.gz GHKRYAJYEPGKPX-UONOGXRCSA-N 1 3 300.447 0.689 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000247141370 289198670 /nfs/dbraw/zinc/19/86/70/289198670.db2.gz SYWWGRFFXBAWEE-RBSFLKMASA-N 1 3 312.458 0.831 10 0 DCAEHO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000238007447 303483813 /nfs/dbraw/zinc/48/38/13/303483813.db2.gz OUOBTXJZMVQBLZ-CABCVRRESA-N 1 3 322.453 0.271 10 0 DCAEHO C[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702331252 666943152 /nfs/dbraw/zinc/94/31/52/666943152.db2.gz YTURWYRASFGLBC-XIRDDKMYSA-N 1 3 318.465 0.902 10 0 DCAEHO C[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702331252 666943154 /nfs/dbraw/zinc/94/31/54/666943154.db2.gz YTURWYRASFGLBC-XIRDDKMYSA-N 1 3 318.465 0.902 10 0 DCAEHO CCN1CCN(C[C@H](C)CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000066245628 685066032 /nfs/dbraw/zinc/06/60/32/685066032.db2.gz ZBMWXSBUSXSCQE-CABCVRRESA-N 1 3 311.474 0.343 10 0 DCAEHO CN1CC2(C[C@@H]1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000072424815 191159562 /nfs/dbraw/zinc/15/95/62/191159562.db2.gz ISKRRNZOCAMKAH-CQSZACIVSA-N 1 3 305.426 0.463 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908290 285022136 /nfs/dbraw/zinc/02/21/36/285022136.db2.gz LCBHCPFVVGGJBR-HUUCEWRRSA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171908290 285022137 /nfs/dbraw/zinc/02/21/37/285022137.db2.gz LCBHCPFVVGGJBR-HUUCEWRRSA-N 1 3 310.442 0.587 10 0 DCAEHO C[C@@H]1C[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262142324 396103529 /nfs/dbraw/zinc/10/35/29/396103529.db2.gz HFQYCNLUZBALRZ-CABCVRRESA-N 1 3 319.453 0.903 10 0 DCAEHO CN1CCN(CCCCNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071699795 396114110 /nfs/dbraw/zinc/11/41/10/396114110.db2.gz HDRGQLBXYVBSMT-UHFFFAOYSA-N 1 3 304.438 0.903 10 0 DCAEHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)CN1CCN(C)CC1 ZINC000262647224 396167806 /nfs/dbraw/zinc/16/78/06/396167806.db2.gz ORNBIUCLADJHBJ-NCOADZHNSA-N 1 3 322.497 0.907 10 0 DCAEHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188739414 396385044 /nfs/dbraw/zinc/38/50/44/396385044.db2.gz FRVMTJLHKQQTIL-UONOGXRCSA-N 1 3 300.422 0.076 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CN1C1CC1 ZINC000584686158 396614956 /nfs/dbraw/zinc/61/49/56/396614956.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 1 3 320.437 0.034 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CN1C1CC1 ZINC000584686158 396614958 /nfs/dbraw/zinc/61/49/58/396614958.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 1 3 320.437 0.034 10 0 DCAEHO COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170758853 158376055 /nfs/dbraw/zinc/37/60/55/158376055.db2.gz DYZMAINSBNQTSV-HUUCEWRRSA-N 1 3 323.437 0.470 10 0 DCAEHO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@H]1CCN(C2CC2)C1 ZINC000262084082 158771626 /nfs/dbraw/zinc/77/16/26/158771626.db2.gz CNUPVYUWFNMWQX-XHSDSOJGSA-N 1 3 317.437 0.418 10 0 DCAEHO COC[C@@](C)(CCO)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192755654 287059663 /nfs/dbraw/zinc/05/96/63/287059663.db2.gz PEKOITBYONNDEH-MRXNPFEDSA-N 1 3 301.475 0.780 10 0 DCAEHO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000173505447 416060087 /nfs/dbraw/zinc/06/00/87/416060087.db2.gz PPBSJXKPJXPRIY-JKSUJKDBSA-N 1 3 323.485 0.360 10 0 DCAEHO C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000173505447 416060091 /nfs/dbraw/zinc/06/00/91/416060091.db2.gz PPBSJXKPJXPRIY-JKSUJKDBSA-N 1 3 323.485 0.360 10 0 DCAEHO CC[NH+](CC)CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000176670647 416131581 /nfs/dbraw/zinc/13/15/81/416131581.db2.gz XLZDFECAHGJNMB-MRXNPFEDSA-N 1 3 310.486 0.957 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174623811 416080653 /nfs/dbraw/zinc/08/06/53/416080653.db2.gz QTBYGBHGBPIHRG-UONOGXRCSA-N 1 3 300.447 0.689 10 0 DCAEHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174623811 416080655 /nfs/dbraw/zinc/08/06/55/416080655.db2.gz QTBYGBHGBPIHRG-UONOGXRCSA-N 1 3 300.447 0.689 10 0 DCAEHO C[C@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)CN1C1CC1 ZINC000535265170 416519650 /nfs/dbraw/zinc/51/96/50/416519650.db2.gz WKTAFHNFKHGGON-GXTWGEPZSA-N 1 3 303.410 0.840 10 0 DCAEHO CC(=O)N[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)C ZINC000617503237 417227610 /nfs/dbraw/zinc/22/76/10/417227610.db2.gz AJPRVJJVLMJWPM-ZFWWWQNUSA-N 1 3 314.474 0.535 10 0 DCAEHO CC(=O)N[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)C ZINC000617503237 417227614 /nfs/dbraw/zinc/22/76/14/417227614.db2.gz AJPRVJJVLMJWPM-ZFWWWQNUSA-N 1 3 314.474 0.535 10 0 DCAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000309795511 546023393 /nfs/dbraw/zinc/02/33/93/546023393.db2.gz IODOPZGHOKMNRH-ZDUSSCGKSA-N 1 3 316.409 0.487 10 0 DCAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702390982 666947585 /nfs/dbraw/zinc/94/75/85/666947585.db2.gz KNVPDXUMXYORAA-HYVNUMGLSA-N 1 3 318.465 0.902 10 0 DCAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702390982 666947586 /nfs/dbraw/zinc/94/75/86/666947586.db2.gz KNVPDXUMXYORAA-HYVNUMGLSA-N 1 3 318.465 0.902 10 0 DCAEHO CCN1CCN(CCCNC(=O)c2ccccc2C[NH3+])CC1 ZINC000071699820 1173831720 /nfs/dbraw/zinc/83/17/20/1173831720.db2.gz VBTQRPHMOYOZBU-UHFFFAOYSA-N 1 3 304.438 0.903 10 0 DCAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117032133 295903951 /nfs/dbraw/zinc/90/39/51/295903951.db2.gz HLEZSQBVHPXRAQ-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262241843 396114765 /nfs/dbraw/zinc/11/47/65/396114765.db2.gz KYQNNIUVPABEDH-OAGGEKHMSA-N 1 3 319.453 0.714 10 0 DCAEHO O=C1NCC[C@@H]1[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179067535 396220783 /nfs/dbraw/zinc/22/07/83/396220783.db2.gz QWNHBUMBWDZQJC-DLBZAZTESA-N 1 3 317.433 0.910 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CN1C1CC1 ZINC000584686160 396614631 /nfs/dbraw/zinc/61/46/31/396614631.db2.gz IKVVWMLOIFDUCY-UMVBOHGHSA-N 1 3 320.437 0.034 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CN1C1CC1 ZINC000584686160 396614633 /nfs/dbraw/zinc/61/46/33/396614633.db2.gz IKVVWMLOIFDUCY-UMVBOHGHSA-N 1 3 320.437 0.034 10 0 DCAEHO CN(CCC[NH+](C)C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000572202522 397033484 /nfs/dbraw/zinc/03/34/84/397033484.db2.gz BDULJLJHBLGCQS-UHFFFAOYSA-N 1 3 313.490 0.606 10 0 DCAEHO CN1CCC[C@H]1C(=O)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119452224 158187541 /nfs/dbraw/zinc/18/75/41/158187541.db2.gz GHCIERDEEQAPGJ-INIZCTEOSA-N 1 3 308.470 0.711 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000122071659 158218385 /nfs/dbraw/zinc/21/83/85/158218385.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000122071659 158218386 /nfs/dbraw/zinc/21/83/86/158218386.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333758272 415730071 /nfs/dbraw/zinc/73/00/71/415730071.db2.gz ADJIWQMRNICSHZ-CABCVRRESA-N 1 3 311.474 0.454 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111836844 415698174 /nfs/dbraw/zinc/69/81/74/415698174.db2.gz ZNVUOPLSUXUDKZ-OAHLLOKOSA-N 1 3 312.458 0.474 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000263108274 416337528 /nfs/dbraw/zinc/33/75/28/416337528.db2.gz DFMQYIDNYFJNBF-GUTXKFCHSA-N 1 3 312.458 0.465 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000263108274 416337529 /nfs/dbraw/zinc/33/75/29/416337529.db2.gz DFMQYIDNYFJNBF-GUTXKFCHSA-N 1 3 312.458 0.465 10 0 DCAEHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020968 416533284 /nfs/dbraw/zinc/53/32/84/416533284.db2.gz VAXLQZRBVWFGDO-WFASDCNBSA-N 1 3 303.410 0.697 10 0 DCAEHO COCC[C@H]([NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389949046 685258145 /nfs/dbraw/zinc/25/81/45/685258145.db2.gz RQDAAJHXHVBQEC-CWRNSKLLSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949046 685258150 /nfs/dbraw/zinc/25/81/50/685258150.db2.gz RQDAAJHXHVBQEC-CWRNSKLLSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949046 685258153 /nfs/dbraw/zinc/25/81/53/685258153.db2.gz RQDAAJHXHVBQEC-CWRNSKLLSA-N 1 3 305.422 0.987 10 0 DCAEHO CN(CCNC(=O)c1c(C[NH3+])cnn1C)Cc1ccccc1 ZINC000719301514 685309433 /nfs/dbraw/zinc/30/94/33/685309433.db2.gz HLNKQZKXZUVSNP-UHFFFAOYSA-N 1 3 301.394 0.741 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236840056 202034437 /nfs/dbraw/zinc/03/44/37/202034437.db2.gz OCDLFWPOBRCCSZ-CABCVRRESA-N 1 3 324.469 0.517 10 0 DCAEHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261778370 396064995 /nfs/dbraw/zinc/06/49/95/396064995.db2.gz MULOIMCPTKNRBZ-KBPBESRZSA-N 1 3 301.431 0.213 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000179286175 396225250 /nfs/dbraw/zinc/22/52/50/396225250.db2.gz ODYFGJBINNSRFF-HNNXBMFYSA-N 1 3 311.474 0.358 10 0 DCAEHO c1nnc2ccc(N3CC[C@H](N[C@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522603 396775299 /nfs/dbraw/zinc/77/52/99/396775299.db2.gz DNZANONNUGYFOR-STQMWFEESA-N 1 3 301.398 0.435 10 0 DCAEHO CC(C)[N@H+](C)CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000176003465 416119196 /nfs/dbraw/zinc/11/91/96/416119196.db2.gz HCAQLPKDCAVGDB-INIZCTEOSA-N 1 3 310.486 0.955 10 0 DCAEHO CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000176003465 416119199 /nfs/dbraw/zinc/11/91/99/416119199.db2.gz HCAQLPKDCAVGDB-INIZCTEOSA-N 1 3 310.486 0.955 10 0 DCAEHO CN(CCC[NH+](C)C)C(=O)NCCCCN1CCN(C)CC1 ZINC000543685293 416643759 /nfs/dbraw/zinc/64/37/59/416643759.db2.gz ZVUPPZBYJJQXLW-UHFFFAOYSA-N 1 3 313.490 0.607 10 0 DCAEHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643774155 417347654 /nfs/dbraw/zinc/34/76/54/417347654.db2.gz NNOAZCKTEBNXTQ-INIZCTEOSA-N 1 3 305.422 0.813 10 0 DCAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)N(C)Cc1ccccc1 ZINC000649332189 418240736 /nfs/dbraw/zinc/24/07/36/418240736.db2.gz DQJBONLDFPRLPJ-GDBMZVCRSA-N 1 3 305.422 0.859 10 0 DCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCN(C)CCOC ZINC000177486954 279325713 /nfs/dbraw/zinc/32/57/13/279325713.db2.gz IQTKWYNBKDMTDI-AWEZNQCLSA-N 1 3 300.447 0.690 10 0 DCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCN(C)CCOC ZINC000177486954 279325715 /nfs/dbraw/zinc/32/57/15/279325715.db2.gz IQTKWYNBKDMTDI-AWEZNQCLSA-N 1 3 300.447 0.690 10 0 DCAEHO CN(C)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702430609 666956560 /nfs/dbraw/zinc/95/65/60/666956560.db2.gz NQUGRPBFNKGDNZ-SJORKVTESA-N 1 3 318.465 0.856 10 0 DCAEHO CN(C)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702430609 666956562 /nfs/dbraw/zinc/95/65/62/666956562.db2.gz NQUGRPBFNKGDNZ-SJORKVTESA-N 1 3 318.465 0.856 10 0 DCAEHO C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251748771 685185794 /nfs/dbraw/zinc/18/57/94/685185794.db2.gz LFLCKFOIRIGAGY-OCCSQVGLSA-N 1 3 301.456 0.484 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000333589170 252740981 /nfs/dbraw/zinc/74/09/81/252740981.db2.gz OVKRXJHNEKDGCE-CHWSQXEVSA-N 1 3 305.426 0.663 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033900 395850129 /nfs/dbraw/zinc/85/01/29/395850129.db2.gz XAXUAUGEYIDPPU-ZFWWWQNUSA-N 1 3 310.442 0.443 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033900 395850130 /nfs/dbraw/zinc/85/01/30/395850130.db2.gz XAXUAUGEYIDPPU-ZFWWWQNUSA-N 1 3 310.442 0.443 10 0 DCAEHO CCN1CCN(c2ccccc2CNC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263200585 396206233 /nfs/dbraw/zinc/20/62/33/396206233.db2.gz IYKGHKPFNBXOJY-FUHWJXTLSA-N 1 3 318.465 0.498 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107283072 158134822 /nfs/dbraw/zinc/13/48/22/158134822.db2.gz UIPDXOFVIRTFLV-MRXNPFEDSA-N 1 3 310.486 0.957 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107283072 158134824 /nfs/dbraw/zinc/13/48/24/158134824.db2.gz UIPDXOFVIRTFLV-MRXNPFEDSA-N 1 3 310.486 0.957 10 0 DCAEHO CN(C)CCOc1ccccc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000152652827 415968274 /nfs/dbraw/zinc/96/82/74/415968274.db2.gz MKJWIZDSBDOWON-QGZVFWFLSA-N 1 3 323.437 0.669 10 0 DCAEHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020967 416533592 /nfs/dbraw/zinc/53/35/92/416533592.db2.gz VAXLQZRBVWFGDO-SWLSCSKDSA-N 1 3 303.410 0.697 10 0 DCAEHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559780741 416825035 /nfs/dbraw/zinc/82/50/35/416825035.db2.gz IFKXAQGFFYFFFX-CQSZACIVSA-N 1 3 312.458 0.387 10 0 DCAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788143 417361914 /nfs/dbraw/zinc/36/19/14/417361914.db2.gz QTQQCEORFYRTOG-GDBMZVCRSA-N 1 3 305.422 0.859 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000117046379 289215507 /nfs/dbraw/zinc/21/55/07/289215507.db2.gz KVANUWLZZMLTTP-HNNXBMFYSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000117046379 289215508 /nfs/dbraw/zinc/21/55/08/289215508.db2.gz KVANUWLZZMLTTP-HNNXBMFYSA-N 1 3 312.458 0.833 10 0 DCAEHO C[C@H](CCNC(=O)[C@@H](N)CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000702381030 666946818 /nfs/dbraw/zinc/94/68/18/666946818.db2.gz AIELTTKQGGLOHD-ZBFHGGJFSA-N 1 3 306.454 0.902 10 0 DCAEHO C[C@H](CCNC(=O)[C@@H](N)CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000702381030 666946821 /nfs/dbraw/zinc/94/68/21/666946821.db2.gz AIELTTKQGGLOHD-ZBFHGGJFSA-N 1 3 306.454 0.902 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000702407851 666954860 /nfs/dbraw/zinc/95/48/60/666954860.db2.gz GHDORISBHXJTNA-CVEARBPZSA-N 1 3 304.438 0.514 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702407851 666954862 /nfs/dbraw/zinc/95/48/62/666954862.db2.gz GHDORISBHXJTNA-CVEARBPZSA-N 1 3 304.438 0.514 10 0 DCAEHO C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000705322843 667304388 /nfs/dbraw/zinc/30/43/88/667304388.db2.gz APGIHGBCIXHFHI-HOTGVXAUSA-N 1 3 304.438 0.656 10 0 DCAEHO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000262390265 291038921 /nfs/dbraw/zinc/03/89/21/291038921.db2.gz PHAOXKBBIRDCAO-KKUMJFAQSA-N 1 3 322.453 0.140 10 0 DCAEHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC(N)=O ZINC000179388334 199026965 /nfs/dbraw/zinc/02/69/65/199026965.db2.gz LANUCNKSYVJJKI-UHFFFAOYSA-N 1 3 319.409 0.815 10 0 DCAEHO C[C@H]1CCCCN1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237510753 395914109 /nfs/dbraw/zinc/91/41/09/395914109.db2.gz QGHCAHPJEZRUAV-ZDUSSCGKSA-N 1 3 320.441 0.807 10 0 DCAEHO CO[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530411124 396577159 /nfs/dbraw/zinc/57/71/59/396577159.db2.gz GHKRYAJYEPGKPX-ZIAGYGMSSA-N 1 3 300.447 0.689 10 0 DCAEHO CN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816630 415746620 /nfs/dbraw/zinc/74/66/20/415746620.db2.gz QKOVQKRQHVUHLA-UGUYLWEFSA-N 1 3 318.421 0.406 10 0 DCAEHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649279144 418219194 /nfs/dbraw/zinc/21/91/94/418219194.db2.gz ZGCIMZGVIYOIJD-CVEARBPZSA-N 1 3 303.406 0.613 10 0 DCAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000193475429 261142317 /nfs/dbraw/zinc/14/23/17/261142317.db2.gz XDWBAVKJWHFXOH-GOEBONIOSA-N 1 3 324.469 0.617 10 0 DCAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193475429 261142318 /nfs/dbraw/zinc/14/23/18/261142318.db2.gz XDWBAVKJWHFXOH-GOEBONIOSA-N 1 3 324.469 0.617 10 0 DCAEHO [NH3+]CCN(CCc1ccccc1)C(=O)CNC[C@@H]1CCCO1 ZINC000261675231 295232522 /nfs/dbraw/zinc/23/25/22/295232522.db2.gz GXWOXQRPOLWJAR-INIZCTEOSA-N 1 3 305.422 0.785 10 0 DCAEHO O=C1CCN(CCCCCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000105570199 296322855 /nfs/dbraw/zinc/32/28/55/296322855.db2.gz RKWBKMICWIISAF-UHFFFAOYSA-N 1 3 310.442 0.191 10 0 DCAEHO O=C1CCN(CCCCCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000105570199 296322858 /nfs/dbraw/zinc/32/28/58/296322858.db2.gz RKWBKMICWIISAF-UHFFFAOYSA-N 1 3 310.442 0.191 10 0 DCAEHO CN1CCC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194696869 395804916 /nfs/dbraw/zinc/80/49/16/395804916.db2.gz DUVMZDQNNDMIMT-GJZGRUSLSA-N 1 3 324.469 0.578 10 0 DCAEHO CN1CCC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194696869 395804921 /nfs/dbraw/zinc/80/49/21/395804921.db2.gz DUVMZDQNNDMIMT-GJZGRUSLSA-N 1 3 324.469 0.578 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113604652 395831409 /nfs/dbraw/zinc/83/14/09/395831409.db2.gz MIWPVTGDVOXECP-GDBMZVCRSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113604652 395831412 /nfs/dbraw/zinc/83/14/12/395831412.db2.gz MIWPVTGDVOXECP-GDBMZVCRSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247366834 395972280 /nfs/dbraw/zinc/97/22/80/395972280.db2.gz OXGCUWWBWFJMGF-HUUCEWRRSA-N 1 3 314.474 0.983 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247366834 395972283 /nfs/dbraw/zinc/97/22/83/395972283.db2.gz OXGCUWWBWFJMGF-HUUCEWRRSA-N 1 3 314.474 0.983 10 0 DCAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479603 396419729 /nfs/dbraw/zinc/41/97/29/396419729.db2.gz MWXAROWNONMJJS-HZPDHXFCSA-N 1 3 310.486 0.988 10 0 DCAEHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479603 396419731 /nfs/dbraw/zinc/41/97/31/396419731.db2.gz MWXAROWNONMJJS-HZPDHXFCSA-N 1 3 310.486 0.988 10 0 DCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@]2(F)CCNC2)CC1 ZINC000179855103 287085434 /nfs/dbraw/zinc/08/54/34/287085434.db2.gz LUFBZMZZOMLUOR-IUODEOHRSA-N 1 3 301.406 0.239 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+](C)C(C)C ZINC000111849904 415698386 /nfs/dbraw/zinc/69/83/86/415698386.db2.gz UUYHHJQZRYSQJC-AWEZNQCLSA-N 1 3 300.447 0.737 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000111849904 415698393 /nfs/dbraw/zinc/69/83/93/415698393.db2.gz UUYHHJQZRYSQJC-AWEZNQCLSA-N 1 3 300.447 0.737 10 0 DCAEHO C[NH+]1CCC(CNC(=O)[C@H]2COCCN2)(N2CCCCC2)CC1 ZINC000178891056 416176753 /nfs/dbraw/zinc/17/67/53/416176753.db2.gz WITWOSXRXGVINV-OAHLLOKOSA-N 1 3 324.469 0.041 10 0 DCAEHO CN(CCNC(=O)C(C)(C)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000395345123 417106704 /nfs/dbraw/zinc/10/67/04/417106704.db2.gz IJWJQYUZPMEERH-UHFFFAOYSA-N 1 3 318.465 0.918 10 0 DCAEHO CCn1nccc1CC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000621776260 417294508 /nfs/dbraw/zinc/29/45/08/417294508.db2.gz HGCIHPRATHNREX-HNNXBMFYSA-N 1 3 303.414 0.833 10 0 DCAEHO CCn1nccc1CC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000621776260 417294514 /nfs/dbraw/zinc/29/45/14/417294514.db2.gz HGCIHPRATHNREX-HNNXBMFYSA-N 1 3 303.414 0.833 10 0 DCAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643788146 417360095 /nfs/dbraw/zinc/36/00/95/417360095.db2.gz QTQQCEORFYRTOG-ZBFHGGJFSA-N 1 3 305.422 0.859 10 0 DCAEHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638274381 417399703 /nfs/dbraw/zinc/39/97/03/417399703.db2.gz HTQJKUPGKYBKJB-HZPDHXFCSA-N 1 3 304.438 0.608 10 0 DCAEHO C[NH+](C)C[C@H](N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000702391732 666947327 /nfs/dbraw/zinc/94/73/27/666947327.db2.gz PNOSNTOUOSEKCN-INIZCTEOSA-N 1 3 304.438 0.610 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000702422014 666955261 /nfs/dbraw/zinc/95/52/61/666955261.db2.gz CBCUFCPGWONBLY-KRWDZBQOSA-N 1 3 318.465 0.904 10 0 DCAEHO COCCN(C)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261816188 396068546 /nfs/dbraw/zinc/06/85/46/396068546.db2.gz AFIGBZMUESRWFA-HEHGZKQESA-N 1 3 313.442 0.213 10 0 DCAEHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(N)CCOCC2)C1 ZINC000261947303 396082412 /nfs/dbraw/zinc/08/24/12/396082412.db2.gz YMWNMDUPTVFLEI-AWEZNQCLSA-N 1 3 313.442 0.454 10 0 DCAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000262942541 396193267 /nfs/dbraw/zinc/19/32/67/396193267.db2.gz ADCHPSPCRWBPQT-YDHLFZDLSA-N 1 3 312.458 0.275 10 0 DCAEHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000262942541 396193268 /nfs/dbraw/zinc/19/32/68/396193268.db2.gz ADCHPSPCRWBPQT-YDHLFZDLSA-N 1 3 312.458 0.275 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186140900 396342490 /nfs/dbraw/zinc/34/24/90/396342490.db2.gz UYDABBGONWJUAV-AWEZNQCLSA-N 1 3 300.447 0.690 10 0 DCAEHO c1nnc2ccc(N3CC[C@@H](N[C@@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522600 396775456 /nfs/dbraw/zinc/77/54/56/396775456.db2.gz DNZANONNUGYFOR-CHWSQXEVSA-N 1 3 301.398 0.435 10 0 DCAEHO CN1CCN(CCNC(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000333810503 415744290 /nfs/dbraw/zinc/74/42/90/415744290.db2.gz POOVKPXGPNEXJX-AWEZNQCLSA-N 1 3 311.474 0.454 10 0 DCAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCOC ZINC000174623578 416080957 /nfs/dbraw/zinc/08/09/57/416080957.db2.gz HNEJYENOJPFXLD-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCOC ZINC000174623578 416080961 /nfs/dbraw/zinc/08/09/61/416080961.db2.gz HNEJYENOJPFXLD-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643774156 417348784 /nfs/dbraw/zinc/34/87/84/417348784.db2.gz NNOAZCKTEBNXTQ-MRXNPFEDSA-N 1 3 305.422 0.813 10 0 DCAEHO C[C@@H]1CNCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333485085 288317090 /nfs/dbraw/zinc/31/70/90/288317090.db2.gz CNSUIMOQTRGBEG-WLYUNCDWSA-N 1 3 309.458 0.206 10 0 DCAEHO C[C@@H]1CNCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333485085 288317095 /nfs/dbraw/zinc/31/70/95/288317095.db2.gz CNSUIMOQTRGBEG-WLYUNCDWSA-N 1 3 309.458 0.206 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000117046377 289198155 /nfs/dbraw/zinc/19/81/55/289198155.db2.gz KVANUWLZZMLTTP-OAHLLOKOSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000117046377 289198156 /nfs/dbraw/zinc/19/81/56/289198156.db2.gz KVANUWLZZMLTTP-OAHLLOKOSA-N 1 3 312.458 0.833 10 0 DCAEHO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(CN2CCCC2)c1 ZINC000262365915 545984679 /nfs/dbraw/zinc/98/46/79/545984679.db2.gz VQZLGLNEHZJDOD-HZPDHXFCSA-N 1 3 303.406 0.593 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236840099 202034430 /nfs/dbraw/zinc/03/44/30/202034430.db2.gz VUCMVBWSZPQXFA-ZIAGYGMSSA-N 1 3 310.442 0.126 10 0 DCAEHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN1CCOC ZINC000111790269 395813374 /nfs/dbraw/zinc/81/33/74/395813374.db2.gz MVJSOXSDFSRXOM-CQSZACIVSA-N 1 3 300.447 0.738 10 0 DCAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572388 396156685 /nfs/dbraw/zinc/15/66/85/396156685.db2.gz XPTMFVOLYKRTID-XJIUQZFPSA-N 1 3 309.454 0.977 10 0 DCAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572388 396156690 /nfs/dbraw/zinc/15/66/90/396156690.db2.gz XPTMFVOLYKRTID-XJIUQZFPSA-N 1 3 309.454 0.977 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186140916 396342777 /nfs/dbraw/zinc/34/27/77/396342777.db2.gz UYDABBGONWJUAV-CQSZACIVSA-N 1 3 300.447 0.690 10 0 DCAEHO C[C@@H](NC(=O)NCCNc1ccncc1)C1CC[NH+](C)CC1 ZINC000606699485 397686980 /nfs/dbraw/zinc/68/69/80/397686980.db2.gz OOPDQUFZNJKOGH-CYBMUJFWSA-N 1 3 305.426 0.945 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC[C@H]2CCCO2)CC[N@@H+]1C ZINC000247404746 287093744 /nfs/dbraw/zinc/09/37/44/287093744.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC[C@H]2CCCO2)CC[N@H+]1C ZINC000247404746 287093745 /nfs/dbraw/zinc/09/37/45/287093745.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 1 3 300.443 0.957 10 0 DCAEHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638274376 417399794 /nfs/dbraw/zinc/39/97/94/417399794.db2.gz HTQJKUPGKYBKJB-CVEARBPZSA-N 1 3 304.438 0.608 10 0 DCAEHO CC[NH+]1CCC(CCNC(=O)NCCOCCN(C)C)CC1 ZINC000471657736 272028793 /nfs/dbraw/zinc/02/87/93/272028793.db2.gz ZEWDPNVSWVLYAZ-UHFFFAOYSA-N 1 3 314.474 0.986 10 0 DCAEHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000262167012 276272628 /nfs/dbraw/zinc/27/26/28/276272628.db2.gz UMXZQIIYBIRIDI-FVCCEPFGSA-N 1 3 320.380 0.914 10 0 DCAEHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000262167012 276272629 /nfs/dbraw/zinc/27/26/29/276272629.db2.gz UMXZQIIYBIRIDI-FVCCEPFGSA-N 1 3 320.380 0.914 10 0 DCAEHO C[NH+]1CCC([C@@H]2CCN(C(=O)c3[nH]nc4c3CNCC4)C2)CC1 ZINC000262809873 277032973 /nfs/dbraw/zinc/03/29/73/277032973.db2.gz TYVWWCJLYYAWIJ-CYBMUJFWSA-N 1 3 317.437 0.859 10 0 DCAEHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333889028 289153005 /nfs/dbraw/zinc/15/30/05/289153005.db2.gz GMVGSMKYMRTPHH-OAHLLOKOSA-N 1 3 311.474 0.454 10 0 DCAEHO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCCCC2)cn1 ZINC000262342179 527321661 /nfs/dbraw/zinc/32/16/61/527321661.db2.gz TWIOMFXFNJKXEX-CABCVRRESA-N 1 3 305.426 0.325 10 0 DCAEHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262409185 545985394 /nfs/dbraw/zinc/98/53/94/545985394.db2.gz ZDBKDWAIWFXSHX-BXUZGUMPSA-N 1 3 317.389 0.805 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247054248 395964825 /nfs/dbraw/zinc/96/48/25/395964825.db2.gz ZLKDMMXLUWMVEH-CGTJXYLNSA-N 1 3 323.481 0.628 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247054248 395964827 /nfs/dbraw/zinc/96/48/27/395964827.db2.gz ZLKDMMXLUWMVEH-CGTJXYLNSA-N 1 3 323.481 0.628 10 0 DCAEHO CCN1CCC[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262144212 396103685 /nfs/dbraw/zinc/10/36/85/396103685.db2.gz HHWRKGKPFCUWTA-AWEZNQCLSA-N 1 3 305.426 0.562 10 0 DCAEHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261881036 396075223 /nfs/dbraw/zinc/07/52/23/396075223.db2.gz UPTFUNNBDNHKCX-GDBMZVCRSA-N 1 3 309.454 0.931 10 0 DCAEHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261881036 396075227 /nfs/dbraw/zinc/07/52/27/396075227.db2.gz UPTFUNNBDNHKCX-GDBMZVCRSA-N 1 3 309.454 0.931 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)CN1C1CC1 ZINC000129037147 158285267 /nfs/dbraw/zinc/28/52/67/158285267.db2.gz JCNHUCYHZRXOQL-UKRRQHHQSA-N 1 3 324.469 0.615 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000172125090 158390902 /nfs/dbraw/zinc/39/09/02/158390902.db2.gz RONSOMFIFGCSIF-INIZCTEOSA-N 1 3 324.469 0.833 10 0 DCAEHO C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)CN1CCN(C)CC1 ZINC000333390779 415635704 /nfs/dbraw/zinc/63/57/04/415635704.db2.gz OTLDGIZASKFXLS-LSDHHAIUSA-N 1 3 311.474 0.311 10 0 DCAEHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333758277 415732629 /nfs/dbraw/zinc/73/26/29/415732629.db2.gz ADJIWQMRNICSHZ-HUUCEWRRSA-N 1 3 311.474 0.454 10 0 DCAEHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696248 416335532 /nfs/dbraw/zinc/33/55/32/416335532.db2.gz JQDZIWGWTQMNPR-GXTWGEPZSA-N 1 3 318.425 0.511 10 0 DCAEHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261938943 416335952 /nfs/dbraw/zinc/33/59/52/416335952.db2.gz KZFCZTLKUADQEP-OAGGEKHMSA-N 1 3 308.470 0.661 10 0 DCAEHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262409193 545985188 /nfs/dbraw/zinc/98/51/88/545985188.db2.gz ZDBKDWAIWFXSHX-RISCZKNCSA-N 1 3 317.389 0.805 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000702329426 666943545 /nfs/dbraw/zinc/94/35/45/666943545.db2.gz LGUYSFSFVNXQNG-SJORKVTESA-N 1 3 318.465 0.904 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000702329426 666943550 /nfs/dbraw/zinc/94/35/50/666943550.db2.gz LGUYSFSFVNXQNG-SJORKVTESA-N 1 3 318.465 0.904 10 0 DCAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702396594 666949559 /nfs/dbraw/zinc/94/95/59/666949559.db2.gz GOTLXFWTFQYZIV-RDJZCZTQSA-N 1 3 318.465 0.998 10 0 DCAEHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(N)CCOCC2)C1 ZINC000261947305 284641418 /nfs/dbraw/zinc/64/14/18/284641418.db2.gz YMWNMDUPTVFLEI-CQSZACIVSA-N 1 3 313.442 0.454 10 0 DCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117031560 284760371 /nfs/dbraw/zinc/76/03/71/284760371.db2.gz FVEVBMZAZYFUOU-KBPBESRZSA-N 1 3 300.447 0.689 10 0 DCAEHO CCN1CCN(CCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186539195 396352162 /nfs/dbraw/zinc/35/21/62/396352162.db2.gz YAPFFASEMUEJSZ-HNNXBMFYSA-N 1 3 308.470 0.757 10 0 DCAEHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948904 397004332 /nfs/dbraw/zinc/00/43/32/397004332.db2.gz FTJSSEBVAZNVHP-UONOGXRCSA-N 1 3 322.453 0.282 10 0 DCAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000247292628 287092753 /nfs/dbraw/zinc/09/27/53/287092753.db2.gz KWQBCYIBYSNVMW-RBSFLKMASA-N 1 3 324.469 0.241 10 0 DCAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000247292628 287092756 /nfs/dbraw/zinc/09/27/56/287092756.db2.gz KWQBCYIBYSNVMW-RBSFLKMASA-N 1 3 324.469 0.241 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353442947 415547048 /nfs/dbraw/zinc/54/70/48/415547048.db2.gz DOJFFEWVTZROKS-GVDBMIGSSA-N 1 3 308.470 0.613 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353442947 415547054 /nfs/dbraw/zinc/54/70/54/415547054.db2.gz DOJFFEWVTZROKS-GVDBMIGSSA-N 1 3 308.470 0.613 10 0 DCAEHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302451 415604528 /nfs/dbraw/zinc/60/45/28/415604528.db2.gz JAYLQRJPKXRNEF-TZMCWYRMSA-N 1 3 300.472 0.865 10 0 DCAEHO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCN(CCn2cccn2)CC1 ZINC000178885888 416176315 /nfs/dbraw/zinc/17/63/15/416176315.db2.gz JQIYZADTWYLSQZ-GJZGRUSLSA-N 1 3 319.453 0.933 10 0 DCAEHO O=C1NCC[C@H]1[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179067524 416181276 /nfs/dbraw/zinc/18/12/76/416181276.db2.gz QWNHBUMBWDZQJC-SJORKVTESA-N 1 3 317.433 0.910 10 0 DCAEHO CN(C)CCN1C[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516746 416256020 /nfs/dbraw/zinc/25/60/20/416256020.db2.gz IAGFAQCEAOHEOP-KGLIPLIRSA-N 1 3 322.453 0.140 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000535260887 416519542 /nfs/dbraw/zinc/51/95/42/416519542.db2.gz HYSQPENNROJVSG-CABCVRRESA-N 1 3 303.410 0.841 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000535260887 416519546 /nfs/dbraw/zinc/51/95/46/416519546.db2.gz HYSQPENNROJVSG-CABCVRRESA-N 1 3 303.410 0.841 10 0 DCAEHO CN1CCC(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000362715593 262063854 /nfs/dbraw/zinc/06/38/54/262063854.db2.gz LCRKYCYINYYPGV-HNNXBMFYSA-N 1 3 324.469 0.422 10 0 DCAEHO CN1CCC(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000362715593 262063856 /nfs/dbraw/zinc/06/38/56/262063856.db2.gz LCRKYCYINYYPGV-HNNXBMFYSA-N 1 3 324.469 0.422 10 0 DCAEHO CCN(CC)CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261804945 276322857 /nfs/dbraw/zinc/32/28/57/276322857.db2.gz JCVOFGYAOJPHNN-LLVKDONJSA-N 1 3 310.364 0.281 10 0 DCAEHO CN1CC2(C[C@H]1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000072424816 191159420 /nfs/dbraw/zinc/15/94/20/191159420.db2.gz ISKRRNZOCAMKAH-AWEZNQCLSA-N 1 3 305.426 0.463 10 0 DCAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000246253140 395945026 /nfs/dbraw/zinc/94/50/26/395945026.db2.gz PPQLSULVYDFPCT-QLFBSQMISA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000246253140 395945030 /nfs/dbraw/zinc/94/50/30/395945030.db2.gz PPQLSULVYDFPCT-QLFBSQMISA-N 1 3 300.443 0.957 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262096321 396099057 /nfs/dbraw/zinc/09/90/57/396099057.db2.gz DKSZRTOEWBSHIV-KFWWJZLASA-N 1 3 305.426 0.324 10 0 DCAEHO C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)CN1CCN(C)CC1 ZINC000333390778 396923902 /nfs/dbraw/zinc/92/39/02/396923902.db2.gz OTLDGIZASKFXLS-HUUCEWRRSA-N 1 3 311.474 0.311 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CN1C1CC1 ZINC000130582395 415921101 /nfs/dbraw/zinc/92/11/01/415921101.db2.gz OJJSDLMBCRJIRS-YCPHGPKFSA-N 1 3 324.469 0.758 10 0 DCAEHO COCCN(C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176441144 416125091 /nfs/dbraw/zinc/12/50/91/416125091.db2.gz IOIHGOGQNWIIHW-GOOCMWNKSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCN(C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000176441144 416125094 /nfs/dbraw/zinc/12/50/94/416125094.db2.gz IOIHGOGQNWIIHW-GOOCMWNKSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCNCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554764 416335522 /nfs/dbraw/zinc/33/55/22/416335522.db2.gz UMTHYCWPSXDGKL-MRXNPFEDSA-N 1 3 305.422 0.955 10 0 DCAEHO COCCNCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554764 416335523 /nfs/dbraw/zinc/33/55/23/416335523.db2.gz UMTHYCWPSXDGKL-MRXNPFEDSA-N 1 3 305.422 0.955 10 0 DCAEHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408071684 417136072 /nfs/dbraw/zinc/13/60/72/417136072.db2.gz OOQXAAWLIBSXPH-RDBSUJKOSA-N 1 3 303.472 0.921 10 0 DCAEHO C[C@@H](NS(=O)(=O)C1CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209215 774153712 /nfs/dbraw/zinc/15/37/12/774153712.db2.gz AYBLOKLJMPLHDX-UKRRQHHQSA-N 1 3 323.462 0.788 10 0 DCAEHO C[C@@H](NS(=O)(=O)C1CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405209215 774153716 /nfs/dbraw/zinc/15/37/16/774153716.db2.gz AYBLOKLJMPLHDX-UKRRQHHQSA-N 1 3 323.462 0.788 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236840128 202033990 /nfs/dbraw/zinc/03/39/90/202033990.db2.gz VUCMVBWSZPQXFA-KGLIPLIRSA-N 1 3 310.442 0.126 10 0 DCAEHO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(C3CC3)CC2)CC1 ZINC000105112176 194075156 /nfs/dbraw/zinc/07/51/56/194075156.db2.gz LHBOUADDRHFISG-UHFFFAOYSA-N 1 3 323.485 0.502 10 0 DCAEHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262071363 396096590 /nfs/dbraw/zinc/09/65/90/396096590.db2.gz BSIVKVJESLWILR-IMJJTQAJSA-N 1 3 319.453 0.714 10 0 DCAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000171078141 396105839 /nfs/dbraw/zinc/10/58/39/396105839.db2.gz KZVCXDSNDSMUNJ-CABCVRRESA-N 1 3 314.474 0.863 10 0 DCAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000171078141 396105840 /nfs/dbraw/zinc/10/58/40/396105840.db2.gz KZVCXDSNDSMUNJ-CABCVRRESA-N 1 3 314.474 0.863 10 0 DCAEHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262636338 396165917 /nfs/dbraw/zinc/16/59/17/396165917.db2.gz HTAQQUSKQPVSIU-CQSZACIVSA-N 1 3 304.438 0.901 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000606703387 397686889 /nfs/dbraw/zinc/68/68/89/397686889.db2.gz UBIJTNJHCAMLRS-HNNXBMFYSA-N 1 3 303.410 0.699 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000606703387 397686890 /nfs/dbraw/zinc/68/68/90/397686890.db2.gz UBIJTNJHCAMLRS-HNNXBMFYSA-N 1 3 303.410 0.699 10 0 DCAEHO CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N(C)C ZINC000125157525 158252638 /nfs/dbraw/zinc/25/26/38/158252638.db2.gz DVJMTGSHMLZTCZ-HOTGVXAUSA-N 1 3 310.486 0.955 10 0 DCAEHO CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N(C)C ZINC000125157525 158252641 /nfs/dbraw/zinc/25/26/41/158252641.db2.gz DVJMTGSHMLZTCZ-HOTGVXAUSA-N 1 3 310.486 0.955 10 0 DCAEHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333657030 415708036 /nfs/dbraw/zinc/70/80/36/415708036.db2.gz KXBNHYCTBAQUKX-HOCLYGCPSA-N 1 3 324.469 0.738 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119793304 415749689 /nfs/dbraw/zinc/74/96/89/415749689.db2.gz DPPRNUZMXDKMOH-KBPBESRZSA-N 1 3 300.447 0.593 10 0 DCAEHO COCCN(C)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119793304 415749695 /nfs/dbraw/zinc/74/96/95/415749695.db2.gz DPPRNUZMXDKMOH-KBPBESRZSA-N 1 3 300.447 0.593 10 0 DCAEHO CN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816627 415745558 /nfs/dbraw/zinc/74/55/58/415745558.db2.gz QKOVQKRQHVUHLA-FXUDXRNXSA-N 1 3 318.421 0.406 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000577239805 417676647 /nfs/dbraw/zinc/67/66/47/417676647.db2.gz RMPUIXUOSOTDEP-DKUMPPAJSA-N 1 3 322.453 0.280 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000577239805 417676651 /nfs/dbraw/zinc/67/66/51/417676651.db2.gz RMPUIXUOSOTDEP-DKUMPPAJSA-N 1 3 322.453 0.280 10 0 DCAEHO CN1CCC(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000362389279 262028574 /nfs/dbraw/zinc/02/85/74/262028574.db2.gz NHSHYKJPGAISER-UHFFFAOYSA-N 1 3 322.497 0.958 10 0 DCAEHO CCC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000157859861 520582604 /nfs/dbraw/zinc/58/26/04/520582604.db2.gz MIIGKHBETGPXBJ-LSDHHAIUSA-N 1 3 324.469 0.482 10 0 DCAEHO CCC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000157859729 520972455 /nfs/dbraw/zinc/97/24/55/520972455.db2.gz MIIGKHBETGPXBJ-CABCVRRESA-N 1 3 324.469 0.482 10 0 DCAEHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000066245627 685065650 /nfs/dbraw/zinc/06/56/50/685065650.db2.gz ZBMWXSBUSXSCQE-GJZGRUSLSA-N 1 3 311.474 0.343 10 0 DCAEHO C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CN1C1CC1 ZINC000262119100 396101492 /nfs/dbraw/zinc/10/14/92/396101492.db2.gz FSWPGCLJJWUJQX-YUDUHTQSSA-N 1 3 317.437 0.465 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262142326 396103740 /nfs/dbraw/zinc/10/37/40/396103740.db2.gz HFQYCNLUZBALRZ-HUUCEWRRSA-N 1 3 319.453 0.903 10 0 DCAEHO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1CCN(Cc2ccccc2)CC1 ZINC000262416164 396137653 /nfs/dbraw/zinc/13/76/53/396137653.db2.gz ZSGRQEBFYPFXCN-IAGOWNOFSA-N 1 3 317.433 0.595 10 0 DCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948905 397004375 /nfs/dbraw/zinc/00/43/75/397004375.db2.gz FTJSSEBVAZNVHP-ZIAGYGMSSA-N 1 3 322.453 0.282 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000173504542 292336007 /nfs/dbraw/zinc/33/60/07/292336007.db2.gz NTKCJLGCHKUJNI-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000173504542 292336009 /nfs/dbraw/zinc/33/60/09/292336009.db2.gz NTKCJLGCHKUJNI-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171904765 158388467 /nfs/dbraw/zinc/38/84/67/158388467.db2.gz LYTBLVPBSGEJDH-HNNXBMFYSA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171904765 158388470 /nfs/dbraw/zinc/38/84/70/158388470.db2.gz LYTBLVPBSGEJDH-HNNXBMFYSA-N 1 3 310.442 0.587 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC[C@H]2CCCO2)CC[N@@H+]1C ZINC000247405238 287093767 /nfs/dbraw/zinc/09/37/67/287093767.db2.gz XXZVDQKLAMLEMC-LVQVYYBASA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COC[C@H]2CCCO2)CC[N@H+]1C ZINC000247405238 287093769 /nfs/dbraw/zinc/09/37/69/287093769.db2.gz XXZVDQKLAMLEMC-LVQVYYBASA-N 1 3 300.443 0.957 10 0 DCAEHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173985918 416070210 /nfs/dbraw/zinc/07/02/10/416070210.db2.gz JVZWFGAEKFOWFM-OAHLLOKOSA-N 1 3 310.442 0.610 10 0 DCAEHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173985918 416070213 /nfs/dbraw/zinc/07/02/13/416070213.db2.gz JVZWFGAEKFOWFM-OAHLLOKOSA-N 1 3 310.442 0.610 10 0 DCAEHO C[C@H](NC(=O)NCCNc1cc[nH+]cc1)C1=CCN(C)CC1 ZINC000541893969 416617395 /nfs/dbraw/zinc/61/73/95/416617395.db2.gz SFWYJHWRUQLYQD-ZDUSSCGKSA-N 1 3 303.410 0.865 10 0 DCAEHO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000633613961 417463537 /nfs/dbraw/zinc/46/35/37/417463537.db2.gz IXWXKTGRCADSIN-DZGCQCFKSA-N 1 3 312.458 0.386 10 0 DCAEHO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000633613961 417463544 /nfs/dbraw/zinc/46/35/44/417463544.db2.gz IXWXKTGRCADSIN-DZGCQCFKSA-N 1 3 312.458 0.386 10 0 DCAEHO CC1CCN(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000556085372 288369437 /nfs/dbraw/zinc/36/94/37/288369437.db2.gz VRXDYOQAEUCBMH-UHFFFAOYSA-N 1 3 312.458 0.245 10 0 DCAEHO CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000178886293 661682853 /nfs/dbraw/zinc/68/28/53/661682853.db2.gz DPNYMGAJGFHRJC-INIZCTEOSA-N 1 3 323.416 0.508 10 0 DCAEHO CCN1CCN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000261932308 685189043 /nfs/dbraw/zinc/18/90/43/685189043.db2.gz LLXQDINTTNUSDZ-UHFFFAOYSA-N 1 3 302.422 0.778 10 0 DCAEHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236946549 202086986 /nfs/dbraw/zinc/08/69/86/202086986.db2.gz ZDWWCXFBUFGPNI-PMPSAXMXSA-N 1 3 308.470 0.661 10 0 DCAEHO COCC[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246735034 533018782 /nfs/dbraw/zinc/01/87/82/533018782.db2.gz YPJHRZWPTXCHPD-GDBMZVCRSA-N 1 3 320.437 0.644 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033906 395850777 /nfs/dbraw/zinc/85/07/77/395850777.db2.gz XAXUAUGEYIDPPU-HIFRSBDPSA-N 1 3 310.442 0.443 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033906 395850778 /nfs/dbraw/zinc/85/07/78/395850778.db2.gz XAXUAUGEYIDPPU-HIFRSBDPSA-N 1 3 310.442 0.443 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246998732 395963866 /nfs/dbraw/zinc/96/38/66/395963866.db2.gz NTKCJLGCHKUJNI-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246998732 395963869 /nfs/dbraw/zinc/96/38/69/395963869.db2.gz NTKCJLGCHKUJNI-GJZGRUSLSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)C[C@](C)(O)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131898050 287002555 /nfs/dbraw/zinc/00/25/55/287002555.db2.gz OGJHBQZJMMZFIW-ZBCRRDGASA-N 1 3 314.474 0.719 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879658 287088573 /nfs/dbraw/zinc/08/85/73/287088573.db2.gz FTNLQCQRRIPUAW-KBXIAJHMSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879658 287088577 /nfs/dbraw/zinc/08/85/77/287088577.db2.gz FTNLQCQRRIPUAW-KBXIAJHMSA-N 1 3 324.469 0.548 10 0 DCAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000247292602 287092471 /nfs/dbraw/zinc/09/24/71/287092471.db2.gz KWQBCYIBYSNVMW-ILXRZTDVSA-N 1 3 324.469 0.241 10 0 DCAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000247292602 287092473 /nfs/dbraw/zinc/09/24/73/287092473.db2.gz KWQBCYIBYSNVMW-ILXRZTDVSA-N 1 3 324.469 0.241 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000111857335 415698640 /nfs/dbraw/zinc/69/86/40/415698640.db2.gz NDNBZMNQVIPJRS-HNNXBMFYSA-N 1 3 312.458 0.738 10 0 DCAEHO COCC[N@@H+]1CC[C@H](NC(=O)NCCN2CC=C(C)CC2)C1 ZINC000358186397 416207997 /nfs/dbraw/zinc/20/79/97/416207997.db2.gz JAJBTLTXBOIDTF-HNNXBMFYSA-N 1 3 310.442 0.658 10 0 DCAEHO COCC[N@H+]1CC[C@H](NC(=O)NCCN2CC=C(C)CC2)C1 ZINC000358186397 416208001 /nfs/dbraw/zinc/20/80/01/416208001.db2.gz JAJBTLTXBOIDTF-HNNXBMFYSA-N 1 3 310.442 0.658 10 0 DCAEHO COCCN(C)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261816194 416335798 /nfs/dbraw/zinc/33/57/98/416335798.db2.gz AFIGBZMUESRWFA-WOSRLPQWSA-N 1 3 313.442 0.213 10 0 DCAEHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638109472 417335223 /nfs/dbraw/zinc/33/52/23/417335223.db2.gz VOJYHKRERLDNEN-SJORKVTESA-N 1 3 316.449 0.752 10 0 DCAEHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638109472 417335227 /nfs/dbraw/zinc/33/52/27/417335227.db2.gz VOJYHKRERLDNEN-SJORKVTESA-N 1 3 316.449 0.752 10 0 DCAEHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(CN2CCCC2)c1 ZINC000262365917 545984483 /nfs/dbraw/zinc/98/44/83/545984483.db2.gz VQZLGLNEHZJDOD-JKSUJKDBSA-N 1 3 303.406 0.593 10 0 DCAEHO CN(C)CCN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333889027 282098901 /nfs/dbraw/zinc/09/89/01/282098901.db2.gz GMVGSMKYMRTPHH-HNNXBMFYSA-N 1 3 311.474 0.454 10 0 DCAEHO Cn1cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000194846302 395809617 /nfs/dbraw/zinc/80/96/17/395809617.db2.gz ISCJXNQRRGIDHI-UHFFFAOYSA-N 1 3 319.453 0.637 10 0 DCAEHO CC(C)NC(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519269 395831850 /nfs/dbraw/zinc/83/18/50/395831850.db2.gz VJOIHMDVAQZTBI-UHFFFAOYSA-N 1 3 312.458 0.291 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246998721 395963681 /nfs/dbraw/zinc/96/36/81/395963681.db2.gz NTKCJLGCHKUJNI-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246998721 395963683 /nfs/dbraw/zinc/96/36/83/395963683.db2.gz NTKCJLGCHKUJNI-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262636337 396166226 /nfs/dbraw/zinc/16/62/26/396166226.db2.gz HTAQQUSKQPVSIU-AWEZNQCLSA-N 1 3 304.438 0.901 10 0 DCAEHO [NH3+]CCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262664807 396170132 /nfs/dbraw/zinc/17/01/32/396170132.db2.gz IWRFRMDHGFOTHG-UHFFFAOYSA-N 1 3 304.394 0.800 10 0 DCAEHO CN1CCN(Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)CC1 ZINC000263345024 396214757 /nfs/dbraw/zinc/21/47/57/396214757.db2.gz YUHYPFBGCPJWOW-UHFFFAOYSA-N 1 3 302.422 0.270 10 0 DCAEHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333928413 396935708 /nfs/dbraw/zinc/93/57/08/396935708.db2.gz XGRQLZOBKVCMKS-LYYZXLFJSA-N 1 3 324.469 0.471 10 0 DCAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCOC)[C@@H](C)C1 ZINC000246446069 287083753 /nfs/dbraw/zinc/08/37/53/287083753.db2.gz NWSGOMCEUHGQGR-LSDHHAIUSA-N 1 3 314.474 0.936 10 0 DCAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCOC)[C@@H](C)C1 ZINC000246446069 287083754 /nfs/dbraw/zinc/08/37/54/287083754.db2.gz NWSGOMCEUHGQGR-LSDHHAIUSA-N 1 3 314.474 0.936 10 0 DCAEHO CN(C)[C@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000153601379 415984725 /nfs/dbraw/zinc/98/47/25/415984725.db2.gz AYAQZAARJATECF-ZBFHGGJFSA-N 1 3 324.469 0.833 10 0 DCAEHO CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000643774024 417348244 /nfs/dbraw/zinc/34/82/44/417348244.db2.gz FQJJZYOFXIOLDA-SJORKVTESA-N 1 3 317.433 0.955 10 0 DCAEHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638274384 417400530 /nfs/dbraw/zinc/40/05/30/417400530.db2.gz HTQJKUPGKYBKJB-JKSUJKDBSA-N 1 3 304.438 0.608 10 0 DCAEHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000187379967 261124143 /nfs/dbraw/zinc/12/41/43/261124143.db2.gz WILQVDVBERHFFH-OAHLLOKOSA-N 1 3 314.474 0.720 10 0 DCAEHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000187379967 261124144 /nfs/dbraw/zinc/12/41/44/261124144.db2.gz WILQVDVBERHFFH-OAHLLOKOSA-N 1 3 314.474 0.720 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000263108276 280274506 /nfs/dbraw/zinc/27/45/06/280274506.db2.gz DFMQYIDNYFJNBF-YDHLFZDLSA-N 1 3 312.458 0.465 10 0 DCAEHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000333727157 294610487 /nfs/dbraw/zinc/61/04/87/294610487.db2.gz VONQMPKUHHIRDE-YHUYYLMFSA-N 1 3 324.469 0.879 10 0 DCAEHO CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000178886309 661682724 /nfs/dbraw/zinc/68/27/24/661682724.db2.gz DPNYMGAJGFHRJC-MRXNPFEDSA-N 1 3 323.416 0.508 10 0 DCAEHO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)C1CNC1 ZINC000405141388 774152005 /nfs/dbraw/zinc/15/20/05/774152005.db2.gz FSWBDIRPVXKCRN-UHFFFAOYSA-N 1 3 323.462 0.790 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236840666 202033713 /nfs/dbraw/zinc/03/37/13/202033713.db2.gz VUCMVBWSZPQXFA-KBPBESRZSA-N 1 3 310.442 0.126 10 0 DCAEHO C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[N@H+](C)C1CC1 ZINC000105267469 194090481 /nfs/dbraw/zinc/09/04/81/194090481.db2.gz VJMWESOKVLFJTK-HIFRSBDPSA-N 1 3 312.458 0.615 10 0 DCAEHO C[C@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[N@@H+](C)C1CC1 ZINC000105267469 194090484 /nfs/dbraw/zinc/09/04/84/194090484.db2.gz VJMWESOKVLFJTK-HIFRSBDPSA-N 1 3 312.458 0.615 10 0 DCAEHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000171908498 285021286 /nfs/dbraw/zinc/02/12/86/285021286.db2.gz YYTZRPKWUMVGAI-MRXNPFEDSA-N 1 3 324.469 0.977 10 0 DCAEHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000171908498 285021287 /nfs/dbraw/zinc/02/12/87/285021287.db2.gz YYTZRPKWUMVGAI-MRXNPFEDSA-N 1 3 324.469 0.977 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908291 285033434 /nfs/dbraw/zinc/03/34/34/285033434.db2.gz LCBHCPFVVGGJBR-LSDHHAIUSA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171908291 285033438 /nfs/dbraw/zinc/03/34/38/285033438.db2.gz LCBHCPFVVGGJBR-LSDHHAIUSA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246755598 395957191 /nfs/dbraw/zinc/95/71/91/395957191.db2.gz AHSDHNYZPJZMQT-OAGGEKHMSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246755598 395957192 /nfs/dbraw/zinc/95/71/92/395957192.db2.gz AHSDHNYZPJZMQT-OAGGEKHMSA-N 1 3 324.469 0.975 10 0 DCAEHO C[C@H]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262363577 396130061 /nfs/dbraw/zinc/13/00/61/396130061.db2.gz VJQFOYSJDUJNGQ-IMJJTQAJSA-N 1 3 319.453 0.571 10 0 DCAEHO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000173914145 396136080 /nfs/dbraw/zinc/13/60/80/396136080.db2.gz MBNYTDSAUPIHTF-CABCVRRESA-N 1 3 311.474 0.215 10 0 DCAEHO CCN1CCN(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000261927699 396080463 /nfs/dbraw/zinc/08/04/63/396080463.db2.gz ZPCYIKVVLOVZOH-IYBDPMFKSA-N 1 3 308.470 0.472 10 0 DCAEHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662577 396170141 /nfs/dbraw/zinc/17/01/41/396170141.db2.gz ZDWWCXFBUFGPNI-XHSDSOJGSA-N 1 3 308.470 0.661 10 0 DCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117034389 158169747 /nfs/dbraw/zinc/16/97/47/158169747.db2.gz QBBKVAMZYZODLZ-GJZGRUSLSA-N 1 3 314.474 0.935 10 0 DCAEHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3CCC[C@@H]3C2)CC1 ZINC000172248040 158391866 /nfs/dbraw/zinc/39/18/66/158391866.db2.gz YDDOESBNPQZOHR-MRXNPFEDSA-N 1 3 308.470 0.755 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000111856653 415699352 /nfs/dbraw/zinc/69/93/52/415699352.db2.gz BMEFYIZAMCHWSM-ZFWWWQNUSA-N 1 3 312.458 0.879 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000111856653 415699360 /nfs/dbraw/zinc/69/93/60/415699360.db2.gz BMEFYIZAMCHWSM-ZFWWWQNUSA-N 1 3 312.458 0.879 10 0 DCAEHO CN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816631 415745856 /nfs/dbraw/zinc/74/58/56/415745856.db2.gz QKOVQKRQHVUHLA-VGWMRTNUSA-N 1 3 318.421 0.406 10 0 DCAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCOC)[C@H](C)C1 ZINC000128944004 415903998 /nfs/dbraw/zinc/90/39/98/415903998.db2.gz NWSGOMCEUHGQGR-HUUCEWRRSA-N 1 3 314.474 0.936 10 0 DCAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCOC)[C@H](C)C1 ZINC000128944004 415904003 /nfs/dbraw/zinc/90/40/03/415904003.db2.gz NWSGOMCEUHGQGR-HUUCEWRRSA-N 1 3 314.474 0.936 10 0 DCAEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247039824 279270027 /nfs/dbraw/zinc/27/00/27/279270027.db2.gz IWMZELHDAHVBNB-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000247039824 279270028 /nfs/dbraw/zinc/27/00/28/279270028.db2.gz IWMZELHDAHVBNB-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000117029050 289198134 /nfs/dbraw/zinc/19/81/34/289198134.db2.gz JZKXZORBJNKXIM-OAHLLOKOSA-N 1 3 310.442 0.585 10 0 DCAEHO C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000702398257 666944734 /nfs/dbraw/zinc/94/47/34/666944734.db2.gz XJOBYLQNYJQMFC-RDJZCZTQSA-N 1 3 318.465 0.998 10 0 DCAEHO C[C@H](NS(=O)(=O)C1CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000405209213 774153893 /nfs/dbraw/zinc/15/38/93/774153893.db2.gz AYBLOKLJMPLHDX-DZGCQCFKSA-N 1 3 323.462 0.788 10 0 DCAEHO C[C@H](NS(=O)(=O)C1CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405209213 774153895 /nfs/dbraw/zinc/15/38/95/774153895.db2.gz AYBLOKLJMPLHDX-DZGCQCFKSA-N 1 3 323.462 0.788 10 0 DCAEHO CC[NH+](CC)CCCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117024077 284597995 /nfs/dbraw/zinc/59/79/95/284597995.db2.gz FPJLXEYTMZFKJZ-AWEZNQCLSA-N 1 3 300.447 0.690 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000333589174 252741374 /nfs/dbraw/zinc/74/13/74/252741374.db2.gz OVKRXJHNEKDGCE-QWHCGFSZSA-N 1 3 305.426 0.663 10 0 DCAEHO C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000173505460 396135305 /nfs/dbraw/zinc/13/53/05/396135305.db2.gz PPBSJXKPJXPRIY-HZPDHXFCSA-N 1 3 323.485 0.360 10 0 DCAEHO C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)CN1CCN(C)CC1 ZINC000173505460 396135306 /nfs/dbraw/zinc/13/53/06/396135306.db2.gz PPBSJXKPJXPRIY-HZPDHXFCSA-N 1 3 323.485 0.360 10 0 DCAEHO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNCC1 ZINC000077471843 396224294 /nfs/dbraw/zinc/22/42/94/396224294.db2.gz WIJHSWCDYISNLM-HNNXBMFYSA-N 1 3 319.453 0.639 10 0 DCAEHO Cn1ccnc1CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCNCC1 ZINC000077471843 396224295 /nfs/dbraw/zinc/22/42/95/396224295.db2.gz WIJHSWCDYISNLM-HNNXBMFYSA-N 1 3 319.453 0.639 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000172117488 158391234 /nfs/dbraw/zinc/39/12/34/158391234.db2.gz ZDSDQLXEVBOKKX-OAHLLOKOSA-N 1 3 312.458 0.834 10 0 DCAEHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1CCOC)C1CC1 ZINC000111849972 415698250 /nfs/dbraw/zinc/69/82/50/415698250.db2.gz YZUBODDWFPXXGG-HNNXBMFYSA-N 1 3 312.458 0.881 10 0 DCAEHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1CCOC)C1CC1 ZINC000111849972 415698253 /nfs/dbraw/zinc/69/82/53/415698253.db2.gz YZUBODDWFPXXGG-HNNXBMFYSA-N 1 3 312.458 0.881 10 0 DCAEHO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000173914150 416067202 /nfs/dbraw/zinc/06/72/02/416067202.db2.gz MBNYTDSAUPIHTF-LSDHHAIUSA-N 1 3 311.474 0.215 10 0 DCAEHO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)C1=CCN(C)CC1 ZINC000541893968 416617219 /nfs/dbraw/zinc/61/72/19/416617219.db2.gz SFWYJHWRUQLYQD-CYBMUJFWSA-N 1 3 303.410 0.865 10 0 DCAEHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408071682 417137902 /nfs/dbraw/zinc/13/79/02/417137902.db2.gz OOQXAAWLIBSXPH-MGPQQGTHSA-N 1 3 303.472 0.921 10 0 DCAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)C[NH+]1CCCC1 ZINC000117035710 289651650 /nfs/dbraw/zinc/65/16/50/289651650.db2.gz ISSFKUVPLPHHKO-CABCVRRESA-N 1 3 312.458 0.690 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000702329423 666942948 /nfs/dbraw/zinc/94/29/48/666942948.db2.gz LGUYSFSFVNXQNG-IRXDYDNUSA-N 1 3 318.465 0.904 10 0 DCAEHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000702329423 666942950 /nfs/dbraw/zinc/94/29/50/666942950.db2.gz LGUYSFSFVNXQNG-IRXDYDNUSA-N 1 3 318.465 0.904 10 0 DCAEHO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(CN2CCCC2)cs1 ZINC000067981986 283418502 /nfs/dbraw/zinc/41/85/02/283418502.db2.gz PIVVOAXHNFDEQJ-HIFRSBDPSA-N 1 3 322.478 0.992 10 0 DCAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261881043 396075241 /nfs/dbraw/zinc/07/52/41/396075241.db2.gz UPTFUNNBDNHKCX-HOCLYGCPSA-N 1 3 309.454 0.931 10 0 DCAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261881043 396075245 /nfs/dbraw/zinc/07/52/45/396075245.db2.gz UPTFUNNBDNHKCX-HOCLYGCPSA-N 1 3 309.454 0.931 10 0 DCAEHO CCN1CCN(c2ccccc2CNC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263200587 396205925 /nfs/dbraw/zinc/20/59/25/396205925.db2.gz IYKGHKPFNBXOJY-WMZOPIPTSA-N 1 3 318.465 0.498 10 0 DCAEHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263321872 396214445 /nfs/dbraw/zinc/21/44/45/396214445.db2.gz ROURCZCTKIKJMX-UHFFFAOYSA-N 1 3 316.449 0.530 10 0 DCAEHO O=C1NCC[C@H]1[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179067512 396220326 /nfs/dbraw/zinc/22/03/26/396220326.db2.gz QWNHBUMBWDZQJC-IAGOWNOFSA-N 1 3 317.433 0.910 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CN1C1CC1 ZINC000130582841 415921761 /nfs/dbraw/zinc/92/17/61/415921761.db2.gz OJJSDLMBCRJIRS-FMKPAKJESA-N 1 3 324.469 0.758 10 0 DCAEHO CN(C)CCN1C[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516805 416256914 /nfs/dbraw/zinc/25/69/14/416256914.db2.gz IAGFAQCEAOHEOP-UONOGXRCSA-N 1 3 322.453 0.140 10 0 DCAEHO CCN1CCC[C@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000194152083 261144901 /nfs/dbraw/zinc/14/49/01/261144901.db2.gz JWQSTJNOQGXHKD-AWEZNQCLSA-N 1 3 300.447 0.738 10 0 DCAEHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000194152083 261144902 /nfs/dbraw/zinc/14/49/02/261144902.db2.gz JWQSTJNOQGXHKD-AWEZNQCLSA-N 1 3 300.447 0.738 10 0 DCAEHO C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)[N@H+](C)C1CC1 ZINC000105267472 194090492 /nfs/dbraw/zinc/09/04/92/194090492.db2.gz VJMWESOKVLFJTK-DZGCQCFKSA-N 1 3 312.458 0.615 10 0 DCAEHO C[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)[N@@H+](C)C1CC1 ZINC000105267472 194090495 /nfs/dbraw/zinc/09/04/95/194090495.db2.gz VJMWESOKVLFJTK-DZGCQCFKSA-N 1 3 312.458 0.615 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246755583 395957080 /nfs/dbraw/zinc/95/70/80/395957080.db2.gz AHSDHNYZPJZMQT-BZUAXINKSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246755583 395957081 /nfs/dbraw/zinc/95/70/81/395957081.db2.gz AHSDHNYZPJZMQT-BZUAXINKSA-N 1 3 324.469 0.975 10 0 DCAEHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000171078144 396105819 /nfs/dbraw/zinc/10/58/19/396105819.db2.gz KZVCXDSNDSMUNJ-GJZGRUSLSA-N 1 3 314.474 0.863 10 0 DCAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)CN1CCCCC1 ZINC000171078144 396105820 /nfs/dbraw/zinc/10/58/20/396105820.db2.gz KZVCXDSNDSMUNJ-GJZGRUSLSA-N 1 3 314.474 0.863 10 0 DCAEHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000263234399 396207557 /nfs/dbraw/zinc/20/75/57/396207557.db2.gz BKITWPBMRSPEPP-UHFFFAOYSA-N 1 3 316.449 0.924 10 0 DCAEHO CCN1CCN(CCC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000586756861 396662192 /nfs/dbraw/zinc/66/21/92/396662192.db2.gz NXGLIXFVDRQTQT-UHFFFAOYSA-N 1 3 322.457 0.411 10 0 DCAEHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333928414 396935679 /nfs/dbraw/zinc/93/56/79/396935679.db2.gz XGRQLZOBKVCMKS-OXGONZEZSA-N 1 3 324.469 0.471 10 0 DCAEHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355161 287081912 /nfs/dbraw/zinc/08/19/12/287081912.db2.gz PLPNSAULLQDFEM-KGLIPLIRSA-N 1 3 303.472 0.542 10 0 DCAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355161 287081916 /nfs/dbraw/zinc/08/19/16/287081916.db2.gz PLPNSAULLQDFEM-KGLIPLIRSA-N 1 3 303.472 0.542 10 0 DCAEHO CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000262367029 416336682 /nfs/dbraw/zinc/33/66/82/416336682.db2.gz VUQNUYXUIRQPTE-OAHLLOKOSA-N 1 3 317.437 0.657 10 0 DCAEHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408071681 417135768 /nfs/dbraw/zinc/13/57/68/417135768.db2.gz OOQXAAWLIBSXPH-MCIONIFRSA-N 1 3 303.472 0.921 10 0 DCAEHO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455653382 417614317 /nfs/dbraw/zinc/61/43/17/417614317.db2.gz AWGLRCRTEFOTDH-ZDUSSCGKSA-N 1 3 308.430 0.908 10 0 DCAEHO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455653382 417614321 /nfs/dbraw/zinc/61/43/21/417614321.db2.gz AWGLRCRTEFOTDH-ZDUSSCGKSA-N 1 3 308.430 0.908 10 0 DCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000580201223 333002561 /nfs/dbraw/zinc/00/25/61/333002561.db2.gz CBUTWWGEMMXACJ-HZPDHXFCSA-N 1 3 321.421 0.620 10 0 DCAEHO O=C(NC[C@@H]1CCCN(CCN2CCCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261829389 661734613 /nfs/dbraw/zinc/73/46/13/661734613.db2.gz KVSWITFIIHWKSC-GJZGRUSLSA-N 1 3 322.453 0.189 10 0 DCAEHO C[NH+]1CCC(NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000177275860 1184228240 /nfs/dbraw/zinc/22/82/40/1184228240.db2.gz BWJPQJYGQGBTFF-QGZVFWFLSA-N 1 3 316.405 0.925 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247486249 395973823 /nfs/dbraw/zinc/97/38/23/395973823.db2.gz KTFJNRABFYPQEZ-GDBMZVCRSA-N 1 3 324.469 0.881 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247486249 395973826 /nfs/dbraw/zinc/97/38/26/395973826.db2.gz KTFJNRABFYPQEZ-GDBMZVCRSA-N 1 3 324.469 0.881 10 0 DCAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696253 396057675 /nfs/dbraw/zinc/05/76/75/396057675.db2.gz JQDZIWGWTQMNPR-JSGCOSHPSA-N 1 3 318.425 0.511 10 0 DCAEHO O=c1n2ccccc2nn1CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261696143 396057987 /nfs/dbraw/zinc/05/79/87/396057987.db2.gz JMZCCLLLEZUXBS-HNNXBMFYSA-N 1 3 315.421 0.960 10 0 DCAEHO CN(C)S(=O)(=O)CCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629548412 396783150 /nfs/dbraw/zinc/78/31/50/396783150.db2.gz XIZRYWQYJPCWFN-AWEZNQCLSA-N 1 3 303.472 0.589 10 0 DCAEHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000332987790 396912561 /nfs/dbraw/zinc/91/25/61/396912561.db2.gz ZVBBFCTVYGNFDW-KNCOVGOOSA-N 1 3 324.469 0.708 10 0 DCAEHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000332987790 396912566 /nfs/dbraw/zinc/91/25/66/396912566.db2.gz ZVBBFCTVYGNFDW-KNCOVGOOSA-N 1 3 324.469 0.708 10 0 DCAEHO C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)CN1C1CC1 ZINC000129036903 158284738 /nfs/dbraw/zinc/28/47/38/158284738.db2.gz JCNHUCYHZRXOQL-ZFWWWQNUSA-N 1 3 324.469 0.615 10 0 DCAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000247292614 287092604 /nfs/dbraw/zinc/09/26/04/287092604.db2.gz KWQBCYIBYSNVMW-QLFBSQMISA-N 1 3 324.469 0.241 10 0 DCAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000247292614 287092608 /nfs/dbraw/zinc/09/26/08/287092608.db2.gz KWQBCYIBYSNVMW-QLFBSQMISA-N 1 3 324.469 0.241 10 0 DCAEHO CN(C)CCOc1ccccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000152652920 415967216 /nfs/dbraw/zinc/96/72/16/415967216.db2.gz MKJWIZDSBDOWON-KRWDZBQOSA-N 1 3 323.437 0.669 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)NCC[N@H+](C)CCCOC)C1 ZINC000174232034 416076121 /nfs/dbraw/zinc/07/61/21/416076121.db2.gz ZGZKZPAXOPOFNF-CQSZACIVSA-N 1 3 300.447 0.738 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000174232034 416076125 /nfs/dbraw/zinc/07/61/25/416076125.db2.gz ZGZKZPAXOPOFNF-CQSZACIVSA-N 1 3 300.447 0.738 10 0 DCAEHO CN(C)[C@]1(CNC(=O)NCCNc2cc[nH+]cc2)CCSC1 ZINC000360743901 416407301 /nfs/dbraw/zinc/40/73/01/416407301.db2.gz GWMXDPMHZYDIQH-HNNXBMFYSA-N 1 3 323.466 0.652 10 0 DCAEHO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000583618989 416478435 /nfs/dbraw/zinc/47/84/35/416478435.db2.gz QHRRAYGRSGABAB-GJZGRUSLSA-N 1 3 321.421 0.620 10 0 DCAEHO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000633613962 417464481 /nfs/dbraw/zinc/46/44/81/417464481.db2.gz IXWXKTGRCADSIN-ZFWWWQNUSA-N 1 3 312.458 0.386 10 0 DCAEHO CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000633613962 417464488 /nfs/dbraw/zinc/46/44/88/417464488.db2.gz IXWXKTGRCADSIN-ZFWWWQNUSA-N 1 3 312.458 0.386 10 0 DCAEHO CN(C)CCn1nccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000455662891 417614620 /nfs/dbraw/zinc/61/46/20/417614620.db2.gz WOQMACMYJPJROG-UHFFFAOYSA-N 1 3 317.397 0.495 10 0 DCAEHO CCCN1CCC(N(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000722238927 659401028 /nfs/dbraw/zinc/40/10/28/659401028.db2.gz HUNLZKYWLUOKBO-CQSZACIVSA-N 1 3 303.472 0.874 10 0 DCAEHO CN1CCN(Cc2ccc(CNC3=[NH+]CCCN3)cc2)CC1 ZINC000261747753 661610842 /nfs/dbraw/zinc/61/08/42/661610842.db2.gz JGGBUMKKFCGDIA-UHFFFAOYSA-N 1 3 301.438 0.873 10 0 DCAEHO C[NH+]1CCC(NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000177275839 1184227804 /nfs/dbraw/zinc/22/78/04/1184227804.db2.gz BWJPQJYGQGBTFF-KRWDZBQOSA-N 1 3 316.405 0.925 10 0 DCAEHO C[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262520076 530049359 /nfs/dbraw/zinc/04/93/59/530049359.db2.gz NYUANYJAFZLQFG-JJRVBVJISA-N 1 3 309.454 0.977 10 0 DCAEHO CN1CC2(C[C@@H]1C(=O)NCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072436389 191166580 /nfs/dbraw/zinc/16/65/80/191166580.db2.gz WRYKNIWXCJKXEV-GFCCVEGCSA-N 1 3 323.466 0.458 10 0 DCAEHO C[NH2+]CCC1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000262388406 396134249 /nfs/dbraw/zinc/13/42/49/396134249.db2.gz ZLPSZZNNJAWATR-UHFFFAOYSA-N 1 3 303.410 0.818 10 0 DCAEHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261881039 396074975 /nfs/dbraw/zinc/07/49/75/396074975.db2.gz UPTFUNNBDNHKCX-GOEBONIOSA-N 1 3 309.454 0.931 10 0 DCAEHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261881039 396074979 /nfs/dbraw/zinc/07/49/79/396074979.db2.gz UPTFUNNBDNHKCX-GOEBONIOSA-N 1 3 309.454 0.931 10 0 DCAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572385 396156611 /nfs/dbraw/zinc/15/66/11/396156611.db2.gz XPTMFVOLYKRTID-UMPJEAMMSA-N 1 3 309.454 0.977 10 0 DCAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572385 396156617 /nfs/dbraw/zinc/15/66/17/396156617.db2.gz XPTMFVOLYKRTID-UMPJEAMMSA-N 1 3 309.454 0.977 10 0 DCAEHO C[NH2+]CCOCCN(C)CCN1C(=O)c2ccccc2C1=O ZINC000629569044 396791118 /nfs/dbraw/zinc/79/11/18/396791118.db2.gz UMSHMGNBFVDYEE-UHFFFAOYSA-N 1 3 305.378 0.450 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000247486020 287094279 /nfs/dbraw/zinc/09/42/79/287094279.db2.gz KROUWOYXADONPY-HUUCEWRRSA-N 1 3 312.458 0.738 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000247486020 287094282 /nfs/dbraw/zinc/09/42/82/287094282.db2.gz KROUWOYXADONPY-HUUCEWRRSA-N 1 3 312.458 0.738 10 0 DCAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000333433365 415646598 /nfs/dbraw/zinc/64/65/98/415646598.db2.gz UZESQKHGRIOXCY-MBNYWOFBSA-N 1 3 300.472 0.721 10 0 DCAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCOC ZINC000174623567 416082354 /nfs/dbraw/zinc/08/23/54/416082354.db2.gz HNEJYENOJPFXLD-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)CCOC ZINC000174623567 416082357 /nfs/dbraw/zinc/08/23/57/416082357.db2.gz HNEJYENOJPFXLD-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCC[N@H+](C)CCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000175737080 416113231 /nfs/dbraw/zinc/11/32/31/416113231.db2.gz VILYSAMYRIGLIX-HNNXBMFYSA-N 1 3 310.442 0.610 10 0 DCAEHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000175737080 416113233 /nfs/dbraw/zinc/11/32/33/416113233.db2.gz VILYSAMYRIGLIX-HNNXBMFYSA-N 1 3 310.442 0.610 10 0 DCAEHO CN(C)CCN1Cc2ccnn2C[C@H](COCC[NH+](C)C)C1 ZINC000096067258 289170895 /nfs/dbraw/zinc/17/08/95/289170895.db2.gz NITJWZFJFQLXQY-OAHLLOKOSA-N 1 3 309.458 0.455 10 0 DCAEHO O=C1NCC[C@@H]1[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179067548 284893276 /nfs/dbraw/zinc/89/32/76/284893276.db2.gz QWNHBUMBWDZQJC-IRXDYDNUSA-N 1 3 317.433 0.910 10 0 DCAEHO CN(C(=O)C[NH2+]C1CC1)C1CCN(CCn2cccn2)CC1 ZINC000154681617 396041415 /nfs/dbraw/zinc/04/14/15/396041415.db2.gz ZNZAOQOEZVPUKF-UHFFFAOYSA-N 1 3 305.426 0.558 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)CCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000170859998 396099373 /nfs/dbraw/zinc/09/93/73/396099373.db2.gz FUNFSKNGJHZTKP-HUUCEWRRSA-N 1 3 324.469 0.482 10 0 DCAEHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1C[C@@H](O)CN1 ZINC000262387110 396134329 /nfs/dbraw/zinc/13/43/29/396134329.db2.gz MFYFYLRCUQCEEP-HZPDHXFCSA-N 1 3 303.406 0.986 10 0 DCAEHO O[C@@H](CN1CCOCC1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080267 396443728 /nfs/dbraw/zinc/44/37/28/396443728.db2.gz JCLQXZIPPLSQEX-QGZVFWFLSA-N 1 3 311.470 0.487 10 0 DCAEHO CC[NH+]1CCC(CNC(=O)NCCNc2ccncc2)CC1 ZINC000581206723 396534891 /nfs/dbraw/zinc/53/48/91/396534891.db2.gz COYRSJLXSCEFLF-UHFFFAOYSA-N 1 3 305.426 0.947 10 0 DCAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038215 158170337 /nfs/dbraw/zinc/17/03/37/158170337.db2.gz GQSZHEPGXJRJQU-LSDHHAIUSA-N 1 3 312.458 0.690 10 0 DCAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117038215 158170340 /nfs/dbraw/zinc/17/03/40/158170340.db2.gz GQSZHEPGXJRJQU-LSDHHAIUSA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)CN1C1CC1 ZINC000129037376 158284824 /nfs/dbraw/zinc/28/48/24/158284824.db2.gz JCNHUCYHZRXOQL-DZGCQCFKSA-N 1 3 324.469 0.615 10 0 DCAEHO C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)CN1C1CC1 ZINC000129036663 158285030 /nfs/dbraw/zinc/28/50/30/158285030.db2.gz JCNHUCYHZRXOQL-HIFRSBDPSA-N 1 3 324.469 0.615 10 0 DCAEHO CC(C)N(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107281150 415662405 /nfs/dbraw/zinc/66/24/05/415662405.db2.gz XQUYRRATQDRJHF-INIZCTEOSA-N 1 3 310.486 0.955 10 0 DCAEHO CC(C)N(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107281150 415662410 /nfs/dbraw/zinc/66/24/10/415662410.db2.gz XQUYRRATQDRJHF-INIZCTEOSA-N 1 3 310.486 0.955 10 0 DCAEHO CCN1CCC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111836843 415696938 /nfs/dbraw/zinc/69/69/38/415696938.db2.gz ZNVUOPLSUXUDKZ-HNNXBMFYSA-N 1 3 312.458 0.474 10 0 DCAEHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCN(CCn2cccn2)CC1 ZINC000178885906 416175389 /nfs/dbraw/zinc/17/53/89/416175389.db2.gz JQIYZADTWYLSQZ-LSDHHAIUSA-N 1 3 319.453 0.933 10 0 DCAEHO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000238034520 416329423 /nfs/dbraw/zinc/32/94/23/416329423.db2.gz OUOBTXJZMVQBLZ-GJZGRUSLSA-N 1 3 322.453 0.271 10 0 DCAEHO C[C@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)CN1C1CC1 ZINC000535265191 416519778 /nfs/dbraw/zinc/51/97/78/416519778.db2.gz WKTAFHNFKHGGON-JSGCOSHPSA-N 1 3 303.410 0.840 10 0 DCAEHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000333727156 294611642 /nfs/dbraw/zinc/61/16/42/294611642.db2.gz VONQMPKUHHIRDE-VGWMRTNUSA-N 1 3 324.469 0.879 10 0 DCAEHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262409196 545985344 /nfs/dbraw/zinc/98/53/44/545985344.db2.gz ZDBKDWAIWFXSHX-SMDDNHRTSA-N 1 3 317.389 0.805 10 0 DCAEHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@H]2C1 ZINC000333368109 546078798 /nfs/dbraw/zinc/07/87/98/546078798.db2.gz FCWJBJCIQCYBDG-IPYPFGDCSA-N 1 3 318.425 0.369 10 0 DCAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000708570103 667444254 /nfs/dbraw/zinc/44/42/54/667444254.db2.gz GDCHTSNDRGHILQ-OIISXLGYSA-N 1 3 318.465 0.760 10 0 DCAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000708570103 667444255 /nfs/dbraw/zinc/44/42/55/667444255.db2.gz GDCHTSNDRGHILQ-OIISXLGYSA-N 1 3 318.465 0.760 10 0 DCAEHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797445 282135944 /nfs/dbraw/zinc/13/59/44/282135944.db2.gz PLPNSAULLQDFEM-UONOGXRCSA-N 1 3 303.472 0.542 10 0 DCAEHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797445 282135945 /nfs/dbraw/zinc/13/59/45/282135945.db2.gz PLPNSAULLQDFEM-UONOGXRCSA-N 1 3 303.472 0.542 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194833801 395809444 /nfs/dbraw/zinc/80/94/44/395809444.db2.gz JJXNQGVUXUZVMF-NSHDSACASA-N 1 3 312.439 0.485 10 0 DCAEHO CC[NH+](CC)CCCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117024073 395850657 /nfs/dbraw/zinc/85/06/57/395850657.db2.gz FPJLXEYTMZFKJZ-CQSZACIVSA-N 1 3 300.447 0.690 10 0 DCAEHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000237047580 395901503 /nfs/dbraw/zinc/90/15/03/395901503.db2.gz MUYWQDSGXJQVFI-MELADBBJSA-N 1 3 310.442 0.125 10 0 DCAEHO Cc1cnn(CCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261864321 396073706 /nfs/dbraw/zinc/07/37/06/396073706.db2.gz KRJBKPUQYOJTBS-CVEARBPZSA-N 1 3 319.453 0.772 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CN1C1CC1 ZINC000262119091 396100972 /nfs/dbraw/zinc/10/09/72/396100972.db2.gz FSWPGCLJJWUJQX-CUBALJKWSA-N 1 3 317.437 0.465 10 0 DCAEHO CCN1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262241845 396114757 /nfs/dbraw/zinc/11/47/57/396114757.db2.gz KYQNNIUVPABEDH-XHSDSOJGSA-N 1 3 319.453 0.714 10 0 DCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000189315446 396393446 /nfs/dbraw/zinc/39/34/46/396393446.db2.gz XXKMAXDKNLJTGL-UONOGXRCSA-N 1 3 322.409 0.015 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000121744346 158214357 /nfs/dbraw/zinc/21/43/57/158214357.db2.gz OXGCUWWBWFJMGF-CABCVRRESA-N 1 3 314.474 0.983 10 0 DCAEHO COCCCN(C)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000121744346 158214358 /nfs/dbraw/zinc/21/43/58/158214358.db2.gz OXGCUWWBWFJMGF-CABCVRRESA-N 1 3 314.474 0.983 10 0 DCAEHO CN1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1ccccc1 ZINC000333599171 415693724 /nfs/dbraw/zinc/69/37/24/415693724.db2.gz PJMKGWTVZWRLLR-LEOABGAYSA-N 1 3 300.406 0.949 10 0 DCAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117032126 415732056 /nfs/dbraw/zinc/73/20/56/415732056.db2.gz HLEZSQBVHPXRAQ-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000165024555 416019749 /nfs/dbraw/zinc/01/97/49/416019749.db2.gz RLHLMPRIXIQAIN-HOTGVXAUSA-N 1 3 303.406 0.274 10 0 DCAEHO C[C@H]1C[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262142327 416336296 /nfs/dbraw/zinc/33/62/96/416336296.db2.gz HFQYCNLUZBALRZ-LSDHHAIUSA-N 1 3 319.453 0.903 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781201 417353720 /nfs/dbraw/zinc/35/37/20/417353720.db2.gz MGDJKXMGNCHZRT-HYVNUMGLSA-N 1 3 317.433 0.859 10 0 DCAEHO COC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820465 277248098 /nfs/dbraw/zinc/24/80/98/277248098.db2.gz HKOATGFPDQMQIT-JKSUJKDBSA-N 1 3 300.443 0.864 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353442952 278040868 /nfs/dbraw/zinc/04/08/68/278040868.db2.gz DOJFFEWVTZROKS-ZACQAIPSSA-N 1 3 308.470 0.613 10 0 DCAEHO CC(=O)N1CCN(CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353442952 278040869 /nfs/dbraw/zinc/04/08/69/278040869.db2.gz DOJFFEWVTZROKS-ZACQAIPSSA-N 1 3 308.470 0.613 10 0 DCAEHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333628074 288151243 /nfs/dbraw/zinc/15/12/43/288151243.db2.gz GECMSJGRQNHFEW-IJEWVQPXSA-N 1 3 324.469 0.879 10 0 DCAEHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000553023428 288284722 /nfs/dbraw/zinc/28/47/22/288284722.db2.gz RAPQPVYJUAZQGD-CQSZACIVSA-N 1 3 312.458 0.387 10 0 DCAEHO Nc1cccc2nc(N3CCNCC3)c(N3CC[NH2+]CC3)nc12 ZINC000584639325 337379798 /nfs/dbraw/zinc/37/97/98/337379798.db2.gz PUORDVNTHLXWPG-UHFFFAOYSA-N 1 3 313.409 0.031 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000117029052 282137048 /nfs/dbraw/zinc/13/70/48/282137048.db2.gz JZKXZORBJNKXIM-HNNXBMFYSA-N 1 3 310.442 0.585 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247488047 285022036 /nfs/dbraw/zinc/02/20/36/285022036.db2.gz LCBHCPFVVGGJBR-CABCVRRESA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247488047 285022037 /nfs/dbraw/zinc/02/20/37/285022037.db2.gz LCBHCPFVVGGJBR-CABCVRRESA-N 1 3 310.442 0.587 10 0 DCAEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117048977 285196993 /nfs/dbraw/zinc/19/69/93/285196993.db2.gz IWMZELHDAHVBNB-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117048977 285196994 /nfs/dbraw/zinc/19/69/94/285196994.db2.gz IWMZELHDAHVBNB-HUUCEWRRSA-N 1 3 312.458 0.833 10 0 DCAEHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](N)C1CCOCC1 ZINC000261778376 396065032 /nfs/dbraw/zinc/06/50/32/396065032.db2.gz MULOIMCPTKNRBZ-ZIAGYGMSSA-N 1 3 301.431 0.213 10 0 DCAEHO C[NH+](C)CCOc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261789541 396066339 /nfs/dbraw/zinc/06/63/39/396066339.db2.gz HZHZLGVBNYHDGI-UHFFFAOYSA-N 1 3 321.421 0.751 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080253 396443639 /nfs/dbraw/zinc/44/36/39/396443639.db2.gz JCLQXZIPPLSQEX-KRWDZBQOSA-N 1 3 311.470 0.487 10 0 DCAEHO C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150311 158207864 /nfs/dbraw/zinc/20/78/64/158207864.db2.gz LJRDVQINSVQXPE-UONOGXRCSA-N 1 3 314.474 0.935 10 0 DCAEHO COC[C@](C)(CCO)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192755638 287059894 /nfs/dbraw/zinc/05/98/94/287059894.db2.gz PEKOITBYONNDEH-INIZCTEOSA-N 1 3 301.475 0.780 10 0 DCAEHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000153601273 415984433 /nfs/dbraw/zinc/98/44/33/415984433.db2.gz AYAQZAARJATECF-GDBMZVCRSA-N 1 3 324.469 0.833 10 0 DCAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCOC ZINC000246105985 416331640 /nfs/dbraw/zinc/33/16/40/416331640.db2.gz HNEJYENOJPFXLD-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)CCOC ZINC000246105985 416331641 /nfs/dbraw/zinc/33/16/41/416331641.db2.gz HNEJYENOJPFXLD-CABCVRRESA-N 1 3 312.458 0.833 10 0 DCAEHO CCN1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000114022659 279320598 /nfs/dbraw/zinc/32/05/98/279320598.db2.gz GZLXXEWVYVGKQN-AWEZNQCLSA-N 1 3 312.458 0.881 10 0 DCAEHO CN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000565318142 288844457 /nfs/dbraw/zinc/84/44/57/288844457.db2.gz IHPWMDJTMOOGCY-UHFFFAOYSA-N 1 3 310.442 0.140 10 0 DCAEHO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(CN2CCCC2)c1 ZINC000262365911 545984459 /nfs/dbraw/zinc/98/44/59/545984459.db2.gz VQZLGLNEHZJDOD-CVEARBPZSA-N 1 3 303.406 0.593 10 0 DCAEHO CN1C[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702474047 666961522 /nfs/dbraw/zinc/96/15/22/666961522.db2.gz VMYKQTLYXXKKLN-KGLIPLIRSA-N 1 3 301.456 0.199 10 0 DCAEHO CN(C)[C@]1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302450 282274283 /nfs/dbraw/zinc/27/42/83/282274283.db2.gz JAYLQRJPKXRNEF-OCCSQVGLSA-N 1 3 300.472 0.865 10 0 DCAEHO C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000262368485 291039373 /nfs/dbraw/zinc/03/93/73/291039373.db2.gz JQXPVZGBFNCRQT-GJZGRUSLSA-N 1 3 322.453 0.141 10 0 DCAEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117048981 285204350 /nfs/dbraw/zinc/20/43/50/285204350.db2.gz IWMZELHDAHVBNB-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117048981 285204351 /nfs/dbraw/zinc/20/43/51/285204351.db2.gz IWMZELHDAHVBNB-LSDHHAIUSA-N 1 3 312.458 0.833 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194833785 395809733 /nfs/dbraw/zinc/80/97/33/395809733.db2.gz JJXNQGVUXUZVMF-LLVKDONJSA-N 1 3 312.439 0.485 10 0 DCAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247001506 395963804 /nfs/dbraw/zinc/96/38/04/395963804.db2.gz GQSZHEPGXJRJQU-CABCVRRESA-N 1 3 312.458 0.690 10 0 DCAEHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247001506 395963806 /nfs/dbraw/zinc/96/38/06/395963806.db2.gz GQSZHEPGXJRJQU-CABCVRRESA-N 1 3 312.458 0.690 10 0 DCAEHO CCC[NH+]1CCC(CNC(=O)NCCN(C)CCOC)CC1 ZINC000171204088 396111084 /nfs/dbraw/zinc/11/10/84/396111084.db2.gz OVOYKBMXPRNBKZ-UHFFFAOYSA-N 1 3 314.474 0.986 10 0 DCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389491 396134345 /nfs/dbraw/zinc/13/43/45/396134345.db2.gz XUAQHAQCAYVSRY-HUUCEWRRSA-N 1 3 317.437 0.657 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000117033898 158170510 /nfs/dbraw/zinc/17/05/10/158170510.db2.gz XAXUAUGEYIDPPU-DZGCQCFKSA-N 1 3 310.442 0.443 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033898 158170512 /nfs/dbraw/zinc/17/05/12/158170512.db2.gz XAXUAUGEYIDPPU-DZGCQCFKSA-N 1 3 310.442 0.443 10 0 DCAEHO CCC[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000134101323 287014871 /nfs/dbraw/zinc/01/48/71/287014871.db2.gz SVOFHCGAOKVCCP-OAHLLOKOSA-N 1 3 324.469 0.483 10 0 DCAEHO CN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816633 415745387 /nfs/dbraw/zinc/74/53/87/415745387.db2.gz QKOVQKRQHVUHLA-YHUYYLMFSA-N 1 3 318.421 0.406 10 0 DCAEHO CCC[N@H+](CC)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175766760 416113462 /nfs/dbraw/zinc/11/34/62/416113462.db2.gz MOZKOXGLJKSDHP-AWEZNQCLSA-N 1 3 300.447 0.690 10 0 DCAEHO CCC[N@@H+](CC)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175766760 416113465 /nfs/dbraw/zinc/11/34/65/416113465.db2.gz MOZKOXGLJKSDHP-AWEZNQCLSA-N 1 3 300.447 0.690 10 0 DCAEHO Cn1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000183349934 416239880 /nfs/dbraw/zinc/23/98/80/416239880.db2.gz HTUOGXXXUZVTEP-UHFFFAOYSA-N 1 3 319.453 0.637 10 0 DCAEHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638274379 417400671 /nfs/dbraw/zinc/40/06/71/417400671.db2.gz HTQJKUPGKYBKJB-HOTGVXAUSA-N 1 3 304.438 0.608 10 0 DCAEHO CCN1CCN(c2ccccc2CNC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263200584 276388662 /nfs/dbraw/zinc/38/86/62/276388662.db2.gz IYKGHKPFNBXOJY-AEFFLSMTSA-N 1 3 318.465 0.498 10 0 DCAEHO CN(C)[C@]1(CNC(=O)C2(C[NH3+])CCOCC2)CCSC1 ZINC000262156390 289398964 /nfs/dbraw/zinc/39/89/64/289398964.db2.gz IATXKAQXNINETO-AWEZNQCLSA-N 1 3 301.456 0.295 10 0 DCAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117044230 522053985 /nfs/dbraw/zinc/05/39/85/522053985.db2.gz BYQGSELYXPHLEQ-ZIAGYGMSSA-N 1 3 300.447 0.689 10 0 DCAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117044230 522053992 /nfs/dbraw/zinc/05/39/92/522053992.db2.gz BYQGSELYXPHLEQ-ZIAGYGMSSA-N 1 3 300.447 0.689 10 0 DCAEHO C[NH+](C)CC1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188971424 658683222 /nfs/dbraw/zinc/68/32/22/658683222.db2.gz HLGOXPXMNZTMOZ-UHFFFAOYSA-N 1 3 305.426 0.906 10 0 DCAEHO C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000705322840 667304526 /nfs/dbraw/zinc/30/45/26/667304526.db2.gz APGIHGBCIXHFHI-CVEARBPZSA-N 1 3 304.438 0.656 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247368659 285033642 /nfs/dbraw/zinc/03/36/42/285033642.db2.gz DRDJLPRLCMLLDD-JKSUJKDBSA-N 1 3 324.469 0.977 10 0 DCAEHO C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)C[NH+]1CCCC1 ZINC000117035703 395850781 /nfs/dbraw/zinc/85/07/81/395850781.db2.gz ISSFKUVPLPHHKO-HUUCEWRRSA-N 1 3 312.458 0.690 10 0 DCAEHO CCN1CCN(CCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186539213 396352282 /nfs/dbraw/zinc/35/22/82/396352282.db2.gz YAPFFASEMUEJSZ-OAHLLOKOSA-N 1 3 308.470 0.757 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000247404738 287093669 /nfs/dbraw/zinc/09/36/69/287093669.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 1 3 300.443 0.957 10 0 DCAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COC[C@@H]2CCCO2)CC[N@H+]1C ZINC000247404738 287093672 /nfs/dbraw/zinc/09/36/72/287093672.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 1 3 300.443 0.957 10 0 DCAEHO CC[C@H](C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)[NH+](C)C ZINC000152002137 415965898 /nfs/dbraw/zinc/96/58/98/415965898.db2.gz BPFZYTVWIZWERT-JKSUJKDBSA-N 1 3 310.486 0.955 10 0 DCAEHO [NH3+]C1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000261555453 416335450 /nfs/dbraw/zinc/33/54/50/416335450.db2.gz UZKRWRXIURDEFI-HNNXBMFYSA-N 1 3 303.406 0.885 10 0 DCAEHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000638109468 417335318 /nfs/dbraw/zinc/33/53/18/417335318.db2.gz VOJYHKRERLDNEN-DLBZAZTESA-N 1 3 316.449 0.752 10 0 DCAEHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638109468 417335325 /nfs/dbraw/zinc/33/53/25/417335325.db2.gz VOJYHKRERLDNEN-DLBZAZTESA-N 1 3 316.449 0.752 10 0 DCAEHO CN(C)CCN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000493211823 272175779 /nfs/dbraw/zinc/17/57/79/272175779.db2.gz SVNIUSJIRMUIPR-UHFFFAOYSA-N 1 3 308.470 0.567 10 0 DCAEHO [NH3+]CCN(CCc1ccccc1)C(=O)CNC[C@H]1CCCO1 ZINC000261675232 661385549 /nfs/dbraw/zinc/38/55/49/661385549.db2.gz GXWOXQRPOLWJAR-MRXNPFEDSA-N 1 3 305.422 0.785 10 0 DCAEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000708570104 667444261 /nfs/dbraw/zinc/44/42/61/667444261.db2.gz GDCHTSNDRGHILQ-PVAVHDDUSA-N 1 3 318.465 0.760 10 0 DCAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000708570104 667444262 /nfs/dbraw/zinc/44/42/62/667444262.db2.gz GDCHTSNDRGHILQ-PVAVHDDUSA-N 1 3 318.465 0.760 10 0 DCAEHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1CNC1 ZINC000405182521 774153068 /nfs/dbraw/zinc/15/30/68/774153068.db2.gz XWZZHIYTTRGSLX-OAHLLOKOSA-N 1 3 323.462 0.742 10 0 DCAEHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CNC1 ZINC000405182521 774153071 /nfs/dbraw/zinc/15/30/71/774153071.db2.gz XWZZHIYTTRGSLX-OAHLLOKOSA-N 1 3 323.462 0.742 10 0 DCAEHO CN1N=[O+]C(=O)C1CNC1CCN(Cc2ccccc2)CC1 ZINC000083250912 192370117 /nfs/dbraw/zinc/37/01/17/192370117.db2.gz GXAYMNNXYNDVKG-UHFFFAOYSA-O 1 3 303.386 0.959 10 0 DCAEHO O=C(NCCCN1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238149230 395922525 /nfs/dbraw/zinc/92/25/25/395922525.db2.gz ZACVKDIQMQRODG-KBMXLJTQSA-N 1 3 309.454 0.870 10 0 DCAEHO C[C@H]1CCCCN1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371139 396132148 /nfs/dbraw/zinc/13/21/48/396132148.db2.gz WBLYZVDWSOVNDM-IMJJTQAJSA-N 1 3 319.453 0.714 10 0 DCAEHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662576 396170255 /nfs/dbraw/zinc/17/02/55/396170255.db2.gz ZDWWCXFBUFGPNI-OAGGEKHMSA-N 1 3 308.470 0.661 10 0 DCAEHO COCCNCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186575938 396352759 /nfs/dbraw/zinc/35/27/59/396352759.db2.gz YHXJDUALRXGBNE-MRXNPFEDSA-N 1 3 320.437 0.788 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000172117493 158390948 /nfs/dbraw/zinc/39/09/48/158390948.db2.gz ZDSDQLXEVBOKKX-HNNXBMFYSA-N 1 3 312.458 0.834 10 0 DCAEHO CN(C)C[C@@](C)(O)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000131898281 287002563 /nfs/dbraw/zinc/00/25/63/287002563.db2.gz OGJHBQZJMMZFIW-XUJLQICISA-N 1 3 314.474 0.719 10 0 DCAEHO CN(C)C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CCO1 ZINC000177551929 416148467 /nfs/dbraw/zinc/14/84/67/416148467.db2.gz VCSOOXFCOZMEJP-CYBMUJFWSA-N 1 3 324.429 0.239 10 0 DCAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479617 416287152 /nfs/dbraw/zinc/28/71/52/416287152.db2.gz MWXAROWNONMJJS-JKSUJKDBSA-N 1 3 310.486 0.988 10 0 DCAEHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479617 416287160 /nfs/dbraw/zinc/28/71/60/416287160.db2.gz MWXAROWNONMJJS-JKSUJKDBSA-N 1 3 310.486 0.988 10 0 DCAEHO c1cncc(CNCCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000423186334 416475473 /nfs/dbraw/zinc/47/54/73/416475473.db2.gz LAZJFGHZCARHPM-DLBZAZTESA-N 1 3 304.438 0.918 10 0 DCAEHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117031910 287350427 /nfs/dbraw/zinc/35/04/27/287350427.db2.gz PQXDUBWXDOWOGE-HUUCEWRRSA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117031910 287350428 /nfs/dbraw/zinc/35/04/28/287350428.db2.gz PQXDUBWXDOWOGE-HUUCEWRRSA-N 1 3 312.458 0.690 10 0 DCAEHO CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000643774022 417347519 /nfs/dbraw/zinc/34/75/19/417347519.db2.gz FQJJZYOFXIOLDA-IAGOWNOFSA-N 1 3 317.433 0.955 10 0 DCAEHO CCC[NH+]1CCC(CNC(=O)NCCN(CC)CCO)CC1 ZINC000187241991 261122634 /nfs/dbraw/zinc/12/26/34/261122634.db2.gz JFRBVVOBZZTVOM-UHFFFAOYSA-N 1 3 314.474 0.722 10 0 DCAEHO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCN3CCC[C@H]3C2)cn1 ZINC000262409158 294300847 /nfs/dbraw/zinc/30/08/47/294300847.db2.gz ZCGMCXLKAZYJCS-ZNMIVQPWSA-N 1 3 303.410 0.030 10 0 DCAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702390985 666947748 /nfs/dbraw/zinc/94/77/48/666947748.db2.gz KNVPDXUMXYORAA-PVAVHDDUSA-N 1 3 318.465 0.902 10 0 DCAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000702390985 666947750 /nfs/dbraw/zinc/94/77/50/666947750.db2.gz KNVPDXUMXYORAA-PVAVHDDUSA-N 1 3 318.465 0.902 10 0 DCAEHO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000702430040 666956248 /nfs/dbraw/zinc/95/62/48/666956248.db2.gz LZLNTXMNINNFGL-IRXDYDNUSA-N 1 3 318.465 0.998 10 0 DCAEHO CC(C)(C[NH3+])C1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000714420033 670185884 /nfs/dbraw/zinc/18/58/84/670185884.db2.gz WRQHXXSTFJWVOH-UHFFFAOYSA-N 1 3 303.472 0.719 10 0 DCAEHO COCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938357 685238061 /nfs/dbraw/zinc/23/80/61/685238061.db2.gz LDFIQVXXKAVICR-HZPDHXFCSA-N 1 3 305.422 0.989 10 0 DCAEHO COCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938357 685238062 /nfs/dbraw/zinc/23/80/62/685238062.db2.gz LDFIQVXXKAVICR-HZPDHXFCSA-N 1 3 305.422 0.989 10 0 DCAEHO C[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262520055 530049448 /nfs/dbraw/zinc/04/94/48/530049448.db2.gz NYUANYJAFZLQFG-CKEIUWERSA-N 1 3 309.454 0.977 10 0 DCAEHO CN1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccccc1 ZINC000333599168 283052467 /nfs/dbraw/zinc/05/24/67/283052467.db2.gz PJMKGWTVZWRLLR-DGADGQDISA-N 1 3 300.406 0.949 10 0 DCAEHO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CCN(Cc2ccccc2)CC1 ZINC000262416166 396137561 /nfs/dbraw/zinc/13/75/61/396137561.db2.gz ZSGRQEBFYPFXCN-SJORKVTESA-N 1 3 317.433 0.595 10 0 DCAEHO O=C(NC[C@H]1CNCCO1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000333613443 415695984 /nfs/dbraw/zinc/69/59/84/415695984.db2.gz YINDCOJWUCOBSG-HUUCEWRRSA-N 1 3 310.442 0.635 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000111862673 415702200 /nfs/dbraw/zinc/70/22/00/415702200.db2.gz KROUWOYXADONPY-GJZGRUSLSA-N 1 3 312.458 0.738 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000111862673 415702209 /nfs/dbraw/zinc/70/22/09/415702209.db2.gz KROUWOYXADONPY-GJZGRUSLSA-N 1 3 312.458 0.738 10 0 DCAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCOC)[C@H](C)C1 ZINC000128943787 415904900 /nfs/dbraw/zinc/90/49/00/415904900.db2.gz NWSGOMCEUHGQGR-CABCVRRESA-N 1 3 314.474 0.936 10 0 DCAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCOC)[C@H](C)C1 ZINC000128943787 415904903 /nfs/dbraw/zinc/90/49/03/415904903.db2.gz NWSGOMCEUHGQGR-CABCVRRESA-N 1 3 314.474 0.936 10 0 DCAEHO COCC[N@H+](C)CCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173985897 416070795 /nfs/dbraw/zinc/07/07/95/416070795.db2.gz JVZWFGAEKFOWFM-HNNXBMFYSA-N 1 3 310.442 0.610 10 0 DCAEHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173985897 416070798 /nfs/dbraw/zinc/07/07/98/416070798.db2.gz JVZWFGAEKFOWFM-HNNXBMFYSA-N 1 3 310.442 0.610 10 0 DCAEHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000174350341 416077710 /nfs/dbraw/zinc/07/77/10/416077710.db2.gz JBRQDYWLMBAHPF-GJZGRUSLSA-N 1 3 311.474 0.263 10 0 DCAEHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000174350341 416077714 /nfs/dbraw/zinc/07/77/14/416077714.db2.gz JBRQDYWLMBAHPF-GJZGRUSLSA-N 1 3 311.474 0.263 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781200 417355004 /nfs/dbraw/zinc/35/50/04/417355004.db2.gz MGDJKXMGNCHZRT-DJIMGWMZSA-N 1 3 317.433 0.859 10 0 DCAEHO CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000643774023 417345849 /nfs/dbraw/zinc/34/58/49/417345849.db2.gz FQJJZYOFXIOLDA-IRXDYDNUSA-N 1 3 317.433 0.955 10 0 DCAEHO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000702430043 666955993 /nfs/dbraw/zinc/95/59/93/666955993.db2.gz LZLNTXMNINNFGL-SJORKVTESA-N 1 3 318.465 0.998 10 0 DCAEHO COCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380938358 685237438 /nfs/dbraw/zinc/23/74/38/685237438.db2.gz LDFIQVXXKAVICR-JKSUJKDBSA-N 1 3 305.422 0.989 10 0 DCAEHO COCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938358 685237441 /nfs/dbraw/zinc/23/74/41/685237441.db2.gz LDFIQVXXKAVICR-JKSUJKDBSA-N 1 3 305.422 0.989 10 0 DCAEHO CN1CCN(CCCCNC(=O)c2ccccc2C[NH3+])CC1 ZINC000071699797 1173831663 /nfs/dbraw/zinc/83/16/63/1173831663.db2.gz HHYSYLPLQUVTLJ-UHFFFAOYSA-N 1 3 304.438 0.903 10 0 DCAEHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000170836763 396098578 /nfs/dbraw/zinc/09/85/78/396098578.db2.gz MZMMVRDTMOWNOV-HNNXBMFYSA-N 1 3 312.458 0.833 10 0 DCAEHO CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000262367028 396131111 /nfs/dbraw/zinc/13/11/11/396131111.db2.gz VUQNUYXUIRQPTE-HNNXBMFYSA-N 1 3 317.437 0.657 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887659 158331965 /nfs/dbraw/zinc/33/19/65/158331965.db2.gz ZLKDMMXLUWMVEH-NXHRZFHOSA-N 1 3 323.481 0.628 10 0 DCAEHO O[C@H](CN1CCOCC1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887659 158331967 /nfs/dbraw/zinc/33/19/67/158331967.db2.gz ZLKDMMXLUWMVEH-NXHRZFHOSA-N 1 3 323.481 0.628 10 0 DCAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CN1C1CC1 ZINC000246340406 287081498 /nfs/dbraw/zinc/08/14/98/287081498.db2.gz OJJSDLMBCRJIRS-IIAWOOMASA-N 1 3 324.469 0.758 10 0 DCAEHO CN(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355176 287081812 /nfs/dbraw/zinc/08/18/12/287081812.db2.gz PLPNSAULLQDFEM-ZIAGYGMSSA-N 1 3 303.472 0.542 10 0 DCAEHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355176 287081815 /nfs/dbraw/zinc/08/18/15/287081815.db2.gz PLPNSAULLQDFEM-ZIAGYGMSSA-N 1 3 303.472 0.542 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088664 /nfs/dbraw/zinc/08/86/64/287088664.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088666 /nfs/dbraw/zinc/08/86/66/287088666.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088668 /nfs/dbraw/zinc/08/86/68/287088668.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 1 3 324.469 0.548 10 0 DCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088672 /nfs/dbraw/zinc/08/86/72/287088672.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 1 3 324.469 0.548 10 0 DCAEHO O=C(NC[C@H]1CNCCO1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000333613446 415694315 /nfs/dbraw/zinc/69/43/15/415694315.db2.gz YINDCOJWUCOBSG-LSDHHAIUSA-N 1 3 310.442 0.635 10 0 DCAEHO c1cncc(CNCCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000423186337 416475800 /nfs/dbraw/zinc/47/58/00/416475800.db2.gz LAZJFGHZCARHPM-IRXDYDNUSA-N 1 3 304.438 0.918 10 0 DCAEHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(CN2CCCC2)c1 ZINC000262365913 545984530 /nfs/dbraw/zinc/98/45/30/545984530.db2.gz VQZLGLNEHZJDOD-HOTGVXAUSA-N 1 3 303.406 0.593 10 0 DCAEHO CCCN1CCC(N(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722238926 659400644 /nfs/dbraw/zinc/40/06/44/659400644.db2.gz HUNLZKYWLUOKBO-AWEZNQCLSA-N 1 3 303.472 0.874 10 0 DCAEHO O=C(NC[C@H]1CCCN(CCN2CCCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261829384 661734430 /nfs/dbraw/zinc/73/44/30/661734430.db2.gz KVSWITFIIHWKSC-CABCVRRESA-N 1 3 322.453 0.189 10 0 DCAEHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)C1CNC1 ZINC000405182520 774152750 /nfs/dbraw/zinc/15/27/50/774152750.db2.gz XWZZHIYTTRGSLX-HNNXBMFYSA-N 1 3 323.462 0.742 10 0 DCAEHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1CNC1 ZINC000405182520 774152751 /nfs/dbraw/zinc/15/27/51/774152751.db2.gz XWZZHIYTTRGSLX-HNNXBMFYSA-N 1 3 323.462 0.742 10 0 DCAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000262942520 285385130 /nfs/dbraw/zinc/38/51/30/285385130.db2.gz ADCHPSPCRWBPQT-IPYPFGDCSA-N 1 3 312.458 0.275 10 0 DCAEHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C1 ZINC000262942520 285385132 /nfs/dbraw/zinc/38/51/32/285385132.db2.gz ADCHPSPCRWBPQT-IPYPFGDCSA-N 1 3 312.458 0.275 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111825190 395814527 /nfs/dbraw/zinc/81/45/27/395814527.db2.gz KTFJNRABFYPQEZ-HOCLYGCPSA-N 1 3 324.469 0.881 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111825190 395814531 /nfs/dbraw/zinc/81/45/31/395814531.db2.gz KTFJNRABFYPQEZ-HOCLYGCPSA-N 1 3 324.469 0.881 10 0 DCAEHO Cc1ccc(O)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000261979035 396086894 /nfs/dbraw/zinc/08/68/94/396086894.db2.gz JARUACUQWDKXJZ-CYBMUJFWSA-N 1 3 306.410 0.915 10 0 DCAEHO O=C(NCCCN1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262683520 396172489 /nfs/dbraw/zinc/17/24/89/396172489.db2.gz ZACVKDIQMQRODG-BMFZPTHFSA-N 1 3 309.454 0.870 10 0 DCAEHO Cc1ccc(O)c(CN2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000261979036 292164436 /nfs/dbraw/zinc/16/44/36/292164436.db2.gz JARUACUQWDKXJZ-ZDUSSCGKSA-N 1 3 306.410 0.915 10 0 DCAEHO CC[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)N(C)C ZINC000125157986 158252104 /nfs/dbraw/zinc/25/21/04/158252104.db2.gz DVJMTGSHMLZTCZ-CVEARBPZSA-N 1 3 310.486 0.955 10 0 DCAEHO CC[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)N(C)C ZINC000125157986 158252107 /nfs/dbraw/zinc/25/21/07/158252107.db2.gz DVJMTGSHMLZTCZ-CVEARBPZSA-N 1 3 310.486 0.955 10 0 DCAEHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333758275 415731161 /nfs/dbraw/zinc/73/11/61/415731161.db2.gz ADJIWQMRNICSHZ-GJZGRUSLSA-N 1 3 311.474 0.454 10 0 DCAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479577 416286924 /nfs/dbraw/zinc/28/69/24/416286924.db2.gz MWXAROWNONMJJS-CVEARBPZSA-N 1 3 310.486 0.988 10 0 DCAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479577 416286927 /nfs/dbraw/zinc/28/69/27/416286927.db2.gz MWXAROWNONMJJS-CVEARBPZSA-N 1 3 310.486 0.988 10 0 DCAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ccncc1 ZINC000439051873 416605680 /nfs/dbraw/zinc/60/56/80/416605680.db2.gz WUSSTWIMHGUOQG-INIZCTEOSA-N 1 3 320.437 0.825 10 0 DCAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788144 417361317 /nfs/dbraw/zinc/36/13/17/417361317.db2.gz QTQQCEORFYRTOG-GOEBONIOSA-N 1 3 305.422 0.859 10 0 DCAEHO CC1=CCN(CCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000546590288 288019650 /nfs/dbraw/zinc/01/96/50/288019650.db2.gz PWEIZZUNQGBVPH-UHFFFAOYSA-N 1 3 310.442 0.394 10 0 DCAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000309795508 546022843 /nfs/dbraw/zinc/02/28/43/546022843.db2.gz IODOPZGHOKMNRH-CYBMUJFWSA-N 1 3 316.409 0.487 10 0 DCAEHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC000333368112 546078866 /nfs/dbraw/zinc/07/88/66/546078866.db2.gz FCWJBJCIQCYBDG-VNHYZAJKSA-N 1 3 318.425 0.369 10 0 DCAEHO CCN(CC)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236838827 202033236 /nfs/dbraw/zinc/03/32/36/202033236.db2.gz PMPDOWOWARXKOZ-GJZGRUSLSA-N 1 3 324.469 0.435 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247221615 285010548 /nfs/dbraw/zinc/01/05/48/285010548.db2.gz MIWPVTGDVOXECP-ZBFHGGJFSA-N 1 3 324.469 0.975 10 0 DCAEHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247221615 285010549 /nfs/dbraw/zinc/01/05/49/285010549.db2.gz MIWPVTGDVOXECP-ZBFHGGJFSA-N 1 3 324.469 0.975 10 0 DCAEHO COCC[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000246735052 533018697 /nfs/dbraw/zinc/01/86/97/533018697.db2.gz YPJHRZWPTXCHPD-GOEBONIOSA-N 1 3 320.437 0.644 10 0 DCAEHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CN1C1CC1 ZINC000262119104 396101099 /nfs/dbraw/zinc/10/10/99/396101099.db2.gz FSWPGCLJJWUJQX-ZCDTZLGTSA-N 1 3 317.437 0.465 10 0 DCAEHO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000262292443 396119116 /nfs/dbraw/zinc/11/91/16/396119116.db2.gz HSAPDBRDPYZEMN-BBRMVZONSA-N 1 3 310.442 0.269 10 0 DCAEHO CN(C)[C@@]1(CNC(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000333302448 415603289 /nfs/dbraw/zinc/60/32/89/415603289.db2.gz JAYLQRJPKXRNEF-GXTWGEPZSA-N 1 3 300.472 0.865 10 0 DCAEHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479591 416287378 /nfs/dbraw/zinc/28/73/78/416287378.db2.gz MWXAROWNONMJJS-HOTGVXAUSA-N 1 3 310.486 0.988 10 0 DCAEHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479591 416287381 /nfs/dbraw/zinc/28/73/81/416287381.db2.gz MWXAROWNONMJJS-HOTGVXAUSA-N 1 3 310.486 0.988 10 0 DCAEHO COCCN(C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261816182 416335930 /nfs/dbraw/zinc/33/59/30/416335930.db2.gz AFIGBZMUESRWFA-DVOMOZLQSA-N 1 3 313.442 0.213 10 0 DCAEHO CO[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530411122 287747601 /nfs/dbraw/zinc/74/76/01/287747601.db2.gz GHKRYAJYEPGKPX-KGLIPLIRSA-N 1 3 300.447 0.689 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236840606 279087619 /nfs/dbraw/zinc/08/76/19/279087619.db2.gz OCDLFWPOBRCCSZ-GJZGRUSLSA-N 1 3 324.469 0.517 10 0 DCAEHO CC[C@@H](C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)[NH+](C)C ZINC000152002216 280069207 /nfs/dbraw/zinc/06/92/07/280069207.db2.gz BPFZYTVWIZWERT-CVEARBPZSA-N 1 3 310.486 0.955 10 0 DCAEHO CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000157859601 520582468 /nfs/dbraw/zinc/58/24/68/520582468.db2.gz MIIGKHBETGPXBJ-GJZGRUSLSA-N 1 3 324.469 0.482 10 0 DCAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000333416118 546081176 /nfs/dbraw/zinc/08/11/76/546081176.db2.gz RXCQEWJDOPOHST-CQSZACIVSA-N 1 3 310.442 0.491 10 0 DCAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000333416118 546081177 /nfs/dbraw/zinc/08/11/77/546081177.db2.gz RXCQEWJDOPOHST-CQSZACIVSA-N 1 3 310.442 0.491 10 0 DCAEHO C[C@@H](CCNC(=O)[C@@H](N)CN(C)C)[N@H+](C)Cc1ccccc1 ZINC000702381029 666946923 /nfs/dbraw/zinc/94/69/23/666946923.db2.gz AIELTTKQGGLOHD-HOCLYGCPSA-N 1 3 306.454 0.902 10 0 DCAEHO C[C@@H](CCNC(=O)[C@@H](N)CN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000702381029 666946924 /nfs/dbraw/zinc/94/69/24/666946924.db2.gz AIELTTKQGGLOHD-HOCLYGCPSA-N 1 3 306.454 0.902 10 0 DCAEHO COCC[C@H]([NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389949055 685258438 /nfs/dbraw/zinc/25/84/38/685258438.db2.gz RQDAAJHXHVBQEC-KBMXLJTQSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389949055 685258442 /nfs/dbraw/zinc/25/84/42/685258442.db2.gz RQDAAJHXHVBQEC-KBMXLJTQSA-N 1 3 305.422 0.987 10 0 DCAEHO COCC[C@H](N)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389949055 685258443 /nfs/dbraw/zinc/25/84/43/685258443.db2.gz RQDAAJHXHVBQEC-KBMXLJTQSA-N 1 3 305.422 0.987 10 0 DCAEHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236840638 202034361 /nfs/dbraw/zinc/03/43/61/202034361.db2.gz VUCMVBWSZPQXFA-UONOGXRCSA-N 1 3 310.442 0.126 10 0 DCAEHO CCC[NH+]1CCC(CNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188737183 200296758 /nfs/dbraw/zinc/29/67/58/200296758.db2.gz HAIBNSHHMGGRFP-UHFFFAOYSA-N 1 3 305.426 0.907 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262373726 285031805 /nfs/dbraw/zinc/03/18/05/285031805.db2.gz MMUXQCIGPMEXNO-AWEZNQCLSA-N 1 3 313.442 0.230 10 0 DCAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261938407 396081427 /nfs/dbraw/zinc/08/14/27/396081427.db2.gz MNJARWUEBCCMHN-TVFCKZIOSA-N 1 3 324.513 0.759 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262753177 396178636 /nfs/dbraw/zinc/17/86/36/396178636.db2.gz HAYYHXLXXAFBEV-QWHCGFSZSA-N 1 3 301.456 0.309 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129954067 158292312 /nfs/dbraw/zinc/29/23/12/158292312.db2.gz IHHCNXWNEAJGSN-CABCVRRESA-N 1 3 312.458 0.690 10 0 DCAEHO CN(C(=O)CC(C)(C)[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000178885958 416176049 /nfs/dbraw/zinc/17/60/49/416176049.db2.gz QIKCIVYUHGQGKO-UHFFFAOYSA-N 1 3 307.442 0.933 10 0 DCAEHO C[C@H](CNC(=O)c1cnccc1N(C)C)CN1CCN(C)CC1 ZINC000183570681 416247571 /nfs/dbraw/zinc/24/75/71/416247571.db2.gz FZPGNLQJSJJTLR-CQSZACIVSA-N 1 3 319.453 0.761 10 0 DCAEHO C[C@H](CNC(=O)c1cnccc1N(C)C)C[NH+]1CCN(C)CC1 ZINC000183570681 416247574 /nfs/dbraw/zinc/24/75/74/416247574.db2.gz FZPGNLQJSJJTLR-CQSZACIVSA-N 1 3 319.453 0.761 10 0 DCAEHO CN(C)CCN1C[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186516784 416257280 /nfs/dbraw/zinc/25/72/80/416257280.db2.gz IAGFAQCEAOHEOP-ZIAGYGMSSA-N 1 3 322.453 0.140 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000535260895 416519498 /nfs/dbraw/zinc/51/94/98/416519498.db2.gz HYSQPENNROJVSG-LSDHHAIUSA-N 1 3 303.410 0.841 10 0 DCAEHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000535260895 416519501 /nfs/dbraw/zinc/51/95/01/416519501.db2.gz HYSQPENNROJVSG-LSDHHAIUSA-N 1 3 303.410 0.841 10 0 DCAEHO CCN1CCN([C@H](C)CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362763334 262069177 /nfs/dbraw/zinc/06/91/77/262069177.db2.gz QVVGMMMLHPEASR-OAHLLOKOSA-N 1 3 310.486 0.861 10 0 DCAEHO C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000702398258 666944874 /nfs/dbraw/zinc/94/48/74/666944874.db2.gz XJOBYLQNYJQMFC-WBVHZDCISA-N 1 3 318.465 0.998 10 0 DCAEHO C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251748769 685185647 /nfs/dbraw/zinc/18/56/47/685185647.db2.gz LFLCKFOIRIGAGY-JSGCOSHPSA-N 1 3 301.456 0.484 10 0 DCAEHO CN(C)CCN1C[C@H](C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000237169121 395905123 /nfs/dbraw/zinc/90/51/23/395905123.db2.gz KUVCHILOIJEETI-JKXDFHQYSA-N 1 3 322.453 0.138 10 0 DCAEHO C[NH2+]CCOCCN(C)CCCN1C(=O)c2ccccc2C1=O ZINC000629570078 396791429 /nfs/dbraw/zinc/79/14/29/396791429.db2.gz UMKVHJISEOVSIW-UHFFFAOYSA-N 1 3 319.405 0.841 10 0 DCAEHO c1nnc2ccc(N3CC[C@@H](N[C@H]4CCC[NH2+]CC4)C3)nn12 ZINC000629522602 396775384 /nfs/dbraw/zinc/77/53/84/396775384.db2.gz DNZANONNUGYFOR-QWHCGFSZSA-N 1 3 301.398 0.435 10 0 DCAEHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000333491180 415665611 /nfs/dbraw/zinc/66/56/11/415665611.db2.gz DIKSGGARXSZQLG-MRXNPFEDSA-N 1 3 324.469 0.882 10 0 DCAEHO COC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)C1CCOCC1 ZINC000187820493 416261845 /nfs/dbraw/zinc/26/18/45/416261845.db2.gz HKOATGFPDQMQIT-CVEARBPZSA-N 1 3 300.443 0.864 10 0 DCAEHO CC[NH+]1CCC(CCNC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000545176492 416666168 /nfs/dbraw/zinc/66/61/68/416666168.db2.gz CIHIUMYSKICKJX-INIZCTEOSA-N 1 3 312.458 0.474 10 0 DCAEHO CN(C)[C@@]1(CNC(=O)C2(C[NH3+])CCOCC2)CCSC1 ZINC000262156393 289340631 /nfs/dbraw/zinc/34/06/31/289340631.db2.gz IATXKAQXNINETO-CQSZACIVSA-N 1 3 301.456 0.295 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111868067 285023155 /nfs/dbraw/zinc/02/31/55/285023155.db2.gz DRDJLPRLCMLLDD-CVEARBPZSA-N 1 3 324.469 0.977 10 0 DCAEHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000237005685 395900776 /nfs/dbraw/zinc/90/07/76/395900776.db2.gz MUYWQDSGXJQVFI-IHRRRGAJSA-N 1 3 310.442 0.125 10 0 DCAEHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000245396372 395927151 /nfs/dbraw/zinc/92/71/51/395927151.db2.gz KZVCXDSNDSMUNJ-LSDHHAIUSA-N 1 3 314.474 0.863 10 0 DCAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000245396372 395927152 /nfs/dbraw/zinc/92/71/52/395927152.db2.gz KZVCXDSNDSMUNJ-LSDHHAIUSA-N 1 3 314.474 0.863 10 0 DCAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247001527 395963547 /nfs/dbraw/zinc/96/35/47/395963547.db2.gz GQSZHEPGXJRJQU-GJZGRUSLSA-N 1 3 312.458 0.690 10 0 DCAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247001527 395963549 /nfs/dbraw/zinc/96/35/49/395963549.db2.gz GQSZHEPGXJRJQU-GJZGRUSLSA-N 1 3 312.458 0.690 10 0 DCAEHO C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000247028683 395964549 /nfs/dbraw/zinc/96/45/49/395964549.db2.gz PPBSJXKPJXPRIY-HOTGVXAUSA-N 1 3 323.485 0.360 10 0 DCAEHO C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CN1CCN(C)CC1 ZINC000247028683 395964551 /nfs/dbraw/zinc/96/45/51/395964551.db2.gz PPBSJXKPJXPRIY-HOTGVXAUSA-N 1 3 323.485 0.360 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247488065 395975447 /nfs/dbraw/zinc/97/54/47/395975447.db2.gz LCBHCPFVVGGJBR-GJZGRUSLSA-N 1 3 310.442 0.587 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247488065 395975451 /nfs/dbraw/zinc/97/54/51/395975451.db2.gz LCBHCPFVVGGJBR-GJZGRUSLSA-N 1 3 310.442 0.587 10 0 DCAEHO CCN1CCC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262096323 396098919 /nfs/dbraw/zinc/09/89/19/396098919.db2.gz DKSZRTOEWBSHIV-ZNMIVQPWSA-N 1 3 305.426 0.324 10 0 DCAEHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262492595 396146889 /nfs/dbraw/zinc/14/68/89/396146889.db2.gz ZQDRTIWZSSOCFS-PMPSAXMXSA-N 1 3 310.486 0.764 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000263266827 396210008 /nfs/dbraw/zinc/21/00/08/396210008.db2.gz VNHSWFCUQJPAIS-ZBFHGGJFSA-N 1 3 324.469 0.467 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000263266827 396210011 /nfs/dbraw/zinc/21/00/11/396210011.db2.gz VNHSWFCUQJPAIS-ZBFHGGJFSA-N 1 3 324.469 0.467 10 0 DCAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572386 396156633 /nfs/dbraw/zinc/15/66/33/396156633.db2.gz XPTMFVOLYKRTID-VMUDFCTBSA-N 1 3 309.454 0.977 10 0 DCAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572386 396156638 /nfs/dbraw/zinc/15/66/38/396156638.db2.gz XPTMFVOLYKRTID-VMUDFCTBSA-N 1 3 309.454 0.977 10 0 DCAEHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC(N)=O ZINC000184749675 396305117 /nfs/dbraw/zinc/30/51/17/396305117.db2.gz BOYAWXGYBOKLPQ-STQMWFEESA-N 1 3 318.421 0.928 10 0 DCAEHO CC(C)[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)N1CCN(C)CC1 ZINC000188923648 396388452 /nfs/dbraw/zinc/38/84/52/396388452.db2.gz MVMMFDVVNHBKMO-MJBXVCDLSA-N 1 3 300.422 0.075 10 0 DCAEHO O=S(=O)([C@H]1CCN(CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000190156329 396402864 /nfs/dbraw/zinc/40/28/64/396402864.db2.gz QPOQJZJAIRIAEN-AWEZNQCLSA-N 1 3 301.456 0.486 10 0 DCAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000309745832 396759534 /nfs/dbraw/zinc/75/95/34/396759534.db2.gz UFZZPJLTAHTZPH-HNNXBMFYSA-N 1 3 304.438 0.528 10 0 DCAEHO C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)C[NH+]1CCCC1 ZINC000117035707 158170393 /nfs/dbraw/zinc/17/03/93/158170393.db2.gz ISSFKUVPLPHHKO-GJZGRUSLSA-N 1 3 312.458 0.690 10 0 DCAEHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000074167552 415428056 /nfs/dbraw/zinc/42/80/56/415428056.db2.gz BMANCHBXASVJAZ-CABCVRRESA-N 1 3 312.458 0.881 10 0 DCAEHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000074167552 415428060 /nfs/dbraw/zinc/42/80/60/415428060.db2.gz BMANCHBXASVJAZ-CABCVRRESA-N 1 3 312.458 0.881 10 0 DCAEHO CCN1CCC[C@H](NC(=O)NCC[N@H+](C)CCCOC)C1 ZINC000174232022 416075384 /nfs/dbraw/zinc/07/53/84/416075384.db2.gz ZGZKZPAXOPOFNF-AWEZNQCLSA-N 1 3 300.447 0.738 10 0 DCAEHO CCN1CCC[C@H](NC(=O)NCC[N@@H+](C)CCCOC)C1 ZINC000174232022 416075386 /nfs/dbraw/zinc/07/53/86/416075386.db2.gz ZGZKZPAXOPOFNF-AWEZNQCLSA-N 1 3 300.447 0.738 10 0 DCAEHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638109469 417336217 /nfs/dbraw/zinc/33/62/17/417336217.db2.gz VOJYHKRERLDNEN-IAGOWNOFSA-N 1 3 316.449 0.752 10 0 DCAEHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638109469 417336225 /nfs/dbraw/zinc/33/62/25/417336225.db2.gz VOJYHKRERLDNEN-IAGOWNOFSA-N 1 3 316.449 0.752 10 0 DCAEHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649279145 418219224 /nfs/dbraw/zinc/21/92/24/418219224.db2.gz ZGCIMZGVIYOIJD-HOTGVXAUSA-N 1 3 303.406 0.613 10 0 DCAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000193475478 261142068 /nfs/dbraw/zinc/14/20/68/261142068.db2.gz XDWBAVKJWHFXOH-ZBFHGGJFSA-N 1 3 324.469 0.617 10 0 DCAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193475478 261142070 /nfs/dbraw/zinc/14/20/70/261142070.db2.gz XDWBAVKJWHFXOH-ZBFHGGJFSA-N 1 3 324.469 0.617 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000194152099 261145296 /nfs/dbraw/zinc/14/52/96/261145296.db2.gz JWQSTJNOQGXHKD-CQSZACIVSA-N 1 3 300.447 0.738 10 0 DCAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000194152099 261145297 /nfs/dbraw/zinc/14/52/97/261145297.db2.gz JWQSTJNOQGXHKD-CQSZACIVSA-N 1 3 300.447 0.738 10 0 DCAEHO CC(C)N1CCC(N(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000722223329 659388981 /nfs/dbraw/zinc/38/89/81/659388981.db2.gz IRDANXFRLGCSGR-AWEZNQCLSA-N 1 3 303.472 0.873 10 0 DCAEHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729620836 662905923 /nfs/dbraw/zinc/90/59/23/662905923.db2.gz VSYUBKDSFVXONQ-GJZGRUSLSA-N 1 3 319.409 0.078 10 0 DCAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702396595 666949129 /nfs/dbraw/zinc/94/91/29/666949129.db2.gz GOTLXFWTFQYZIV-WBVHZDCISA-N 1 3 318.465 0.998 10 0 DCAEHO C[C@@H]1CCCCN1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262258659 396115922 /nfs/dbraw/zinc/11/59/22/396115922.db2.gz MBLREZPJAQOAMJ-OAHLLOKOSA-N 1 3 319.453 0.952 10 0 DCAEHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371135 396131856 /nfs/dbraw/zinc/13/18/56/396131856.db2.gz WBLYZVDWSOVNDM-BMFZPTHFSA-N 1 3 319.453 0.714 10 0 DCAEHO C[NH+]1CCC([C@H]2CCN(C(=O)c3[nH]nc4c3CNCC4)C2)CC1 ZINC000262809875 396183617 /nfs/dbraw/zinc/18/36/17/396183617.db2.gz TYVWWCJLYYAWIJ-ZDUSSCGKSA-N 1 3 317.437 0.859 10 0 DCAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948902 397004394 /nfs/dbraw/zinc/00/43/94/397004394.db2.gz FTJSSEBVAZNVHP-KBPBESRZSA-N 1 3 322.453 0.282 10 0 DCAEHO C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150412 158207979 /nfs/dbraw/zinc/20/79/79/158207979.db2.gz LJRDVQINSVQXPE-ZIAGYGMSSA-N 1 3 314.474 0.935 10 0 DCAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000049175442 286891784 /nfs/dbraw/zinc/89/17/84/286891784.db2.gz UUZPBVITWWYDMH-INIZCTEOSA-N 1 3 324.469 0.759 10 0 DCAEHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000074167555 415430547 /nfs/dbraw/zinc/43/05/47/415430547.db2.gz BMANCHBXASVJAZ-GJZGRUSLSA-N 1 3 312.458 0.881 10 0 DCAEHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000074167555 415430554 /nfs/dbraw/zinc/43/05/54/415430554.db2.gz BMANCHBXASVJAZ-GJZGRUSLSA-N 1 3 312.458 0.881 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261713294 280273701 /nfs/dbraw/zinc/27/37/01/280273701.db2.gz KVOJJNXBHGZYGF-INIZCTEOSA-N 1 3 320.437 0.116 10 0 DCAEHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000556064429 288368820 /nfs/dbraw/zinc/36/88/20/288368820.db2.gz ATBOTIBCPDJCFD-AWEZNQCLSA-N 1 3 312.458 0.245 10 0 DCAEHO CN1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[C@H]2C1 ZINC000333368110 290156745 /nfs/dbraw/zinc/15/67/45/290156745.db2.gz FCWJBJCIQCYBDG-NFAWXSAZSA-N 1 3 318.425 0.369 10 0 DCAEHO C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)C(C)(C)C[NH+](C)C ZINC000121150631 525173962 /nfs/dbraw/zinc/17/39/62/525173962.db2.gz LJRDVQINSVQXPE-KGLIPLIRSA-N 1 3 314.474 0.935 10 0 DCAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000261683321 545976667 /nfs/dbraw/zinc/97/66/67/545976667.db2.gz HBBSYFSFYOTDKX-HUUCEWRRSA-N 1 3 322.453 0.128 10 0 DCAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000262942507 285366908 /nfs/dbraw/zinc/36/69/08/285366908.db2.gz ADCHPSPCRWBPQT-GUTXKFCHSA-N 1 3 312.458 0.275 10 0 DCAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000262942507 285366909 /nfs/dbraw/zinc/36/69/09/285366909.db2.gz ADCHPSPCRWBPQT-GUTXKFCHSA-N 1 3 312.458 0.275 10 0 DCAEHO C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)[N@H+](C)C1CC1 ZINC000105267476 395779701 /nfs/dbraw/zinc/77/97/01/395779701.db2.gz VJMWESOKVLFJTK-UKRRQHHQSA-N 1 3 312.458 0.615 10 0 DCAEHO C[C@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)[N@@H+](C)C1CC1 ZINC000105267476 395779704 /nfs/dbraw/zinc/77/97/04/395779704.db2.gz VJMWESOKVLFJTK-UKRRQHHQSA-N 1 3 312.458 0.615 10 0 DCAEHO O=C1CCCN1C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000111683912 395812504 /nfs/dbraw/zinc/81/25/04/395812504.db2.gz WHXMSGMORSBUJA-MRXNPFEDSA-N 1 3 309.454 0.778 10 0 DCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117031556 395850592 /nfs/dbraw/zinc/85/05/92/395850592.db2.gz FVEVBMZAZYFUOU-UONOGXRCSA-N 1 3 300.447 0.689 10 0 DCAEHO COCCN1CCC[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237085174 395902072 /nfs/dbraw/zinc/90/20/72/395902072.db2.gz HAYYHXLXXAFBEV-CHWSQXEVSA-N 1 3 301.456 0.309 10 0 DCAEHO COCCN1CCC[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237091999 395902928 /nfs/dbraw/zinc/90/29/28/395902928.db2.gz HAYYHXLXXAFBEV-OLZOCXBDSA-N 1 3 301.456 0.309 10 0 DCAEHO Cc1cnn(CCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261864330 396073221 /nfs/dbraw/zinc/07/32/21/396073221.db2.gz KRJBKPUQYOJTBS-JKSUJKDBSA-N 1 3 319.453 0.772 10 0 DCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389485 396134469 /nfs/dbraw/zinc/13/44/69/396134469.db2.gz XUAQHAQCAYVSRY-CABCVRRESA-N 1 3 317.437 0.657 10 0 DCAEHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261938405 396081844 /nfs/dbraw/zinc/08/18/44/396081844.db2.gz MNJARWUEBCCMHN-BRSBDYLESA-N 1 3 324.513 0.759 10 0 DCAEHO COC(=O)CNC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000111218730 158139653 /nfs/dbraw/zinc/13/96/53/158139653.db2.gz XTTCJCRJZYXWNU-UHFFFAOYSA-N 1 3 311.426 0.474 10 0 DCAEHO CCC[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000134101147 287014985 /nfs/dbraw/zinc/01/49/85/287014985.db2.gz SVOFHCGAOKVCCP-HNNXBMFYSA-N 1 3 324.469 0.483 10 0 DCAEHO CC[NH+]1CCC(CCNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000362066622 416554575 /nfs/dbraw/zinc/55/45/75/416554575.db2.gz NKMZSIDCJGHFEQ-MRXNPFEDSA-N 1 3 308.470 0.615 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262378123 280273764 /nfs/dbraw/zinc/27/37/64/280273764.db2.gz YKQWVSHEDHOXLL-FLTXBFBQSA-N 1 3 310.442 0.217 10 0 DCAEHO CC(C)[C@H](N)C(=O)NCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262378123 280273766 /nfs/dbraw/zinc/27/37/66/280273766.db2.gz YKQWVSHEDHOXLL-FLTXBFBQSA-N 1 3 310.442 0.217 10 0 DCAEHO CN(C)C[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000117045385 289215500 /nfs/dbraw/zinc/21/55/00/289215500.db2.gz NEZTVMAKXCWZIA-HNNXBMFYSA-N 1 3 312.458 0.690 10 0 DCAEHO c1cn([C@@H]2COC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)nn1 ZINC000333224251 546074086 /nfs/dbraw/zinc/07/40/86/546074086.db2.gz APMJMEHLUQGPGG-JKSUJKDBSA-N 1 3 314.393 0.872 10 0 DCAEHO